diff --git a/api/tests/integration/ref/arom/basic.py.out b/api/tests/integration/ref/arom/basic.py.out index 1c91997d0b..de283884e7 100644 --- a/api/tests/integration/ref/arom/basic.py.out +++ b/api/tests/integration/ref/arom/basic.py.out @@ -402,14 +402,14 @@ NC1=NC=NC2NC=NC=21 -INDIGO-01000000002D 8 8 0 0 0 0 0 0 0 0999 V2000 - 0.8000 1.3856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 0.5000 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - -1.6000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - -2.4000 -1.3856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 0.8000 -1.3856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 2.4000 -1.3856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 3.2000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 2.4000 1.3856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -1.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -1.5000 -0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 0.5000 -0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1.5000 -0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 2.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1.5000 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 4 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 @@ -424,14 +424,14 @@ M END -INDIGO-01000000002D 8 8 0 0 0 0 0 0 0 0999 V2000 - 0.8000 1.3856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 0.5000 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - -1.6000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - -2.4000 -1.3856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 0.8000 -1.3856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 2.4000 -1.3856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 3.2000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 2.4000 1.3856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -1.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -1.5000 -0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 0.5000 -0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1.5000 -0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 2.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1.5000 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 @@ -446,14 +446,14 @@ M END -INDIGO-01000000002D 8 8 0 0 0 0 0 0 0 0999 V2000 - 0.8000 1.3856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 0.5000 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - -1.6000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - -2.4000 -1.3856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 0.8000 -1.3856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 2.4000 -1.3856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 3.2000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 2.4000 1.3856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -1.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -1.5000 -0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 0.5000 -0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1.5000 -0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 2.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1.5000 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 4 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 diff --git a/api/tests/integration/ref/basic/allenes.py.out b/api/tests/integration/ref/basic/allenes.py.out index d5f43ecc02..eeebcc4641 100644 --- a/api/tests/integration/ref/basic/allenes.py.out +++ b/api/tests/integration/ref/basic/allenes.py.out @@ -7,13 +7,13 @@ Molecules set: molecules/allenes/allenes.smi -INDIGO-01000000002D 7 6 0 0 0 0 0 0 0 0999 V2000 - -0.8000 -1.3856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -0.5000 -0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - -0.8000 1.3856 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 - 1.6000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 3.2000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 4.0000 -1.3856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 4.0000 1.3856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -0.5000 0.8660 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 1.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 2.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 2.5000 -0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 2.5000 0.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 1 0 0 0 2 3 1 6 0 0 0 2 4 2 0 0 0 0 @@ -41,13 +41,13 @@ M END -INDIGO-01000000002D 7 6 0 0 0 0 0 0 0 0999 V2000 - -0.8000 -1.3856 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 + -0.5000 -0.8660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - -0.8000 1.3856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 1.6000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 3.2000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 4.0000 -1.3856 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 - 4.0000 1.3856 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 + -0.5000 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 2.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 2.5000 -0.8660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 + 2.5000 0.8660 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 1 0 0 0 2 3 1 6 0 0 0 2 4 2 0 0 0 0 @@ -75,19 +75,19 @@ M END -INDIGO-01000000002D 13 12 0 0 1 0 0 0 0 0999 V2000 - -5.5426 1.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - -5.5426 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - -6.9282 -0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - -4.1569 -0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - -2.7713 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - -1.3856 0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - -1.3856 2.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.4641 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.4641 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -4.3301 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -2.5981 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -1.7321 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -0.8660 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -0.8660 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 - 1.3856 0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 2.7713 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 - 4.1569 0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 0.0000 -1.6000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 - 1.3856 -2.4000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 0.8660 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1.7321 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 2.5981 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 0.0000 -1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 0.8660 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 @@ -128,11 +128,11 @@ Molecules set: ../../../../../data/molecules/allenes/all-allenes.sdf -INDIGO-01000000002D 5 4 0 0 0 0 0 0 0 0999 V2000 - -1.3856 0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -0.8660 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 1.3856 -0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - -2.7713 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 2.7713 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 0.8660 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -1.7321 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1.7321 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 3 2 0 0 0 0 1 4 1 6 0 0 0 3 5 1 6 0 0 0 @@ -156,11 +156,11 @@ M END -INDIGO-01000000002D 5 4 0 0 0 0 0 0 0 0999 V2000 - -1.3856 0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -0.8660 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 1.3856 -0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - -2.7713 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 2.7713 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 0.8660 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -1.7321 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1.7321 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 3 2 0 0 0 0 1 4 1 1 0 0 0 3 5 1 1 0 0 0 @@ -184,11 +184,11 @@ M END -INDIGO-01000000002D 5 4 0 0 0 0 0 0 0 0999 V2000 - -1.3856 0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -0.8660 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 1.3856 -0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - -2.7713 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 2.7713 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 0.8660 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -1.7321 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1.7321 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 3 2 0 0 0 0 1 4 1 0 0 0 0 3 5 1 0 0 0 0 @@ -212,11 +212,11 @@ M END -INDIGO-01000000002D 5 4 0 0 0 0 0 0 0 0999 V2000 - -1.3856 0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -0.8660 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 1.3856 -0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - -2.7713 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 2.7713 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 0.8660 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -1.7321 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1.7321 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 3 2 0 0 0 0 1 4 1 6 0 0 0 3 5 1 6 0 0 0 @@ -240,11 +240,11 @@ M END -INDIGO-01000000002D 5 4 0 0 0 0 0 0 0 0999 V2000 - -1.3856 0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -0.8660 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 1.3856 -0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - -2.7713 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 2.7713 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 0.8660 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -1.7321 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1.7321 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 3 2 0 0 0 0 1 4 1 1 0 0 0 3 5 1 1 0 0 0 @@ -268,11 +268,11 @@ M END -INDIGO-01000000002D 5 4 0 0 0 0 0 0 0 0999 V2000 - -1.3856 0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -0.8660 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 1.3856 -0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - -2.7713 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 2.7713 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 0.8660 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -1.7321 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1.7321 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 3 2 0 0 0 0 1 4 1 0 0 0 0 3 5 1 0 0 0 0 @@ -296,11 +296,11 @@ M END -INDIGO-01000000002D 5 4 0 0 0 0 0 0 0 0999 V2000 - -1.3856 0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -0.8660 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 1.3856 -0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - -2.7713 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 2.7713 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 0.8660 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -1.7321 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1.7321 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 3 2 0 0 0 0 1 4 1 0 0 0 0 3 5 1 0 0 0 0 @@ -324,11 +324,11 @@ M END -INDIGO-01000000002D 5 4 0 0 0 0 0 0 0 0999 V2000 - -1.3856 0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -0.8660 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 1.3856 -0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - -2.7713 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 2.7713 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 0.8660 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -1.7321 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1.7321 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 3 2 0 0 0 0 1 4 1 0 0 0 0 3 5 1 0 0 0 0 @@ -352,11 +352,11 @@ M END -INDIGO-01000000002D 5 4 0 0 0 0 0 0 0 0999 V2000 - -1.3856 0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -0.8660 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 1.3856 -0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - -2.7713 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 2.7713 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 0.8660 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -1.7321 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1.7321 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 3 2 0 0 0 0 1 4 1 0 0 0 0 3 5 1 0 0 0 0 @@ -380,11 +380,11 @@ M END -INDIGO-01000000002D 5 4 0 0 0 0 0 0 0 0999 V2000 - -1.3856 0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -0.8660 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 1.3856 -0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - -2.7713 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 2.7713 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 0.8660 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -1.7321 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1.7321 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 3 2 0 0 0 0 1 4 1 1 0 0 0 3 5 1 1 0 0 0 @@ -410,11 +410,11 @@ M END -INDIGO-01000000002D 5 4 0 0 0 0 0 0 0 0999 V2000 - -1.3856 0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -0.8660 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 1.3856 -0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - -2.7713 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 2.7713 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 0.8660 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -1.7321 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1.7321 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 3 2 0 0 0 0 1 4 1 6 0 0 0 3 5 1 6 0 0 0 @@ -440,11 +440,11 @@ M END -INDIGO-01000000002D 5 4 0 0 0 0 0 0 0 0999 V2000 - -1.3856 0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -0.8660 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 1.3856 -0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - -2.7713 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 2.7713 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 0.8660 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -1.7321 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1.7321 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 3 2 0 0 0 0 1 4 1 6 0 0 0 1 2 2 0 0 0 0 @@ -470,11 +470,11 @@ M END -INDIGO-01000000002D 5 4 0 0 0 0 0 0 0 0999 V2000 - -1.3856 0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -0.8660 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 1.3856 -0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - -2.7713 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 2.7713 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 0.8660 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -1.7321 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1.7321 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 3 2 0 0 0 0 1 4 1 0 0 0 0 1 2 2 0 0 0 0 @@ -498,12 +498,12 @@ M END -INDIGO-01000000002D 6 5 0 0 0 0 0 0 0 0999 V2000 - -3.2000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - -1.6000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -2.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -1.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - -4.0000 1.3856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 0.8000 -1.3856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 - 0.8000 1.3856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -2.5000 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 0.5000 -0.8660 0.0000 O 0 0 0 0 0 0 0 0 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+ -1.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -2.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 0.5000 -0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -2.5000 0.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 0.5000 0.8660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 3 2 0 0 0 0 1 4 1 1 0 0 0 1 2 2 0 0 0 0 @@ -1205,12 +1205,12 @@ M END 7 6 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 1.6000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 3.2000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - -0.8000 -1.3856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 4.0000 -1.3856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 - -0.8000 1.3856 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 - 4.0000 1.3856 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 + 1.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 2.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -0.5000 -0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 2.5000 -0.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -0.5000 0.8660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 + 2.5000 0.8660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 3 2 0 0 0 0 1 4 1 0 0 0 0 1 2 2 0 0 0 0 @@ -1239,12 +1239,12 @@ M END 7 6 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 1.6000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 3.2000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - -0.8000 -1.3856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 4.0000 -1.3856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 - -0.8000 1.3856 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 - 4.0000 1.3856 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 + 1.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 2.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -0.5000 -0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 2.5000 -0.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -0.5000 0.8660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 + 2.5000 0.8660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 3 2 0 0 0 0 1 4 1 0 0 0 0 1 2 2 0 0 0 0 @@ -1273,20 +1273,20 @@ Molecules set: molecules/allenes/two-allenes.mol -INDIGO-01000000002D 14 12 0 0 0 0 0 0 0 0999 V2000 - 4.0000 1.3856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 2.4000 1.3856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 0.8000 1.3856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 2.5000 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1.5000 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 0.5000 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 - 0.0000 2.7713 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 - 4.8000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 - 4.8000 2.7713 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 - 12.0000 1.3856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 10.4000 1.3856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 8.8000 1.3856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 8.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 8.0000 2.7713 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 - 12.8000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 - 12.8000 2.7713 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 + 0.0000 1.7321 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 + 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 3.0000 1.7321 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 + 7.5000 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 6.5000 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 5.5000 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 5.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 5.0000 1.7321 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 + 8.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 8.0000 1.7321 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 @@ -1328,13 +1328,13 @@ Molecules set: molecules/allenes/allenes-angle.mol -INDIGO-01000000002D 7 6 0 0 0 0 0 0 0 0999 V2000 - -1.6000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -1.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - -3.2000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - -4.0000 -1.3856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - -4.0000 1.3856 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 - 0.8000 -1.3856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 0.8000 1.3856 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + -2.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -2.5000 -0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -2.5000 0.8660 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 0.5000 -0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 0.5000 0.8660 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 3 4 1 0 0 0 0 @@ -1363,13 +1363,13 @@ Molecules set: molecules/allenes/no-coord.mol -INDIGO-01000000002D 7 6 0 0 0 0 0 0 0 0999 V2000 - 2.7713 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 - 1.3856 -0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1.7321 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 0.8660 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - -1.3856 0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - -2.7713 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - -4.1569 -0.8000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 - 4.1569 -0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -0.8660 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -1.7321 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -2.5981 -0.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 2.5981 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 2 0 0 0 0 diff --git a/api/tests/integration/ref/basic/attachment_points.py.out b/api/tests/integration/ref/basic/attachment_points.py.out index 9d2fce8300..46ef6d09e2 100644 --- a/api/tests/integration/ref/basic/attachment_points.py.out +++ b/api/tests/integration/ref/basic/attachment_points.py.out @@ -18,14 +18,14 @@ IC1CCCCC1I -INDIGO-01000000002D 8 8 0 0 0 0 0 0 0 0999 V2000 - 4.4341 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 6.6510 1.2800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 8.8682 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 8.8682 -2.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 6.6510 -3.8400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 4.4341 -2.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 3.0484 0.8000 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 - 3.0484 -3.3600 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 + 1.7321 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 2.5981 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 3.4641 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 3.4641 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 2.5981 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1.7321 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 0.8661 0.5000 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 + 0.8661 -1.5000 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 @@ -53,7 +53,7 @@ OI 2 1 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 - 1.6000 0.0000 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 + 1.0000 0.0000 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 M END @@ -71,7 +71,7 @@ FI 2 1 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 - 1.6000 0.0000 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 + 1.0000 0.0000 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 M END @@ -89,7 +89,7 @@ CI 2 1 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 1.6000 0.0000 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 + 1.0000 0.0000 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 M END @@ -112,8 +112,8 @@ IOI 3 2 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 - -1.3856 0.8000 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 - 1.3856 0.8000 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 + -0.8660 0.5000 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 + 0.8660 0.5000 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 M END @@ -132,7 +132,7 @@ CI 2 1 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 1.6000 0.0000 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 + 1.0000 0.0000 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 M END @@ -155,8 +155,8 @@ IOI 3 2 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 - -1.3856 0.8000 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 - 1.3856 0.8000 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 + -0.8660 0.5000 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 + 0.8660 0.5000 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 M END @@ -175,7 +175,7 @@ OI 2 1 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 - 1.6000 0.0000 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 + 1.0000 0.0000 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 M END @@ -195,8 +195,8 @@ ICI 3 2 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - -1.3856 0.8000 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 - 1.3856 0.8000 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 + -0.8660 0.5000 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 + 0.8660 0.5000 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 M END @@ -215,7 +215,7 @@ CI 2 1 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 1.6000 0.0000 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 + 1.0000 0.0000 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 M END diff --git a/api/tests/integration/ref/basic/mac/allenes.py.out b/api/tests/integration/ref/basic/mac/allenes.py.out index db672e67e2..b0c76f48ef 100644 --- a/api/tests/integration/ref/basic/mac/allenes.py.out +++ b/api/tests/integration/ref/basic/mac/allenes.py.out @@ -7,13 +7,13 @@ Molecules set: molecules/allenes/allenes.smi -INDIGO-01000000002D 7 6 0 0 0 0 0 0 0 0999 V2000 - -0.8000 -1.3856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -0.5000 -0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - -0.8000 1.3856 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 - 1.6000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 3.2000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 4.0000 1.3856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 4.0000 -1.3856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -0.5000 0.8660 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 1.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 2.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 2.5000 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 2.5000 -0.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 6 0 0 0 2 3 1 1 0 0 0 2 4 2 0 0 0 0 @@ -41,13 +41,13 @@ M END -INDIGO-01000000002D 7 6 0 0 0 0 0 0 0 0999 V2000 - -0.8000 -1.3856 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 + -0.5000 -0.8660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - -0.8000 1.3856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 1.6000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 3.2000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 4.0000 1.3856 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 - 4.0000 -1.3856 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 + -0.5000 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 2.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 2.5000 0.8660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 + 2.5000 -0.8660 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 6 0 0 0 2 3 1 1 0 0 0 2 4 2 0 0 0 0 @@ -75,19 +75,19 @@ M END -INDIGO-01000000002D 13 12 0 0 1 0 0 0 0 0999 V2000 - -5.5426 1.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - -5.5426 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - -6.9282 -0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - -4.1569 -0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - -2.7713 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - -1.3856 0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - -1.3856 2.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.4641 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.4641 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -4.3301 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -2.5981 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -1.7321 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -0.8660 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -0.8660 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 - 1.3856 0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 2.7713 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 - 4.1569 0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 0.0000 -1.6000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 - 1.3856 -2.4000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 0.8660 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1.7321 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 2.5981 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 0.0000 -1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 0.8660 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 @@ -128,11 +128,11 @@ Molecules set: ../../../../../data/molecules/allenes/all-allenes.sdf -INDIGO-01000000002D 5 4 0 0 0 0 0 0 0 0999 V2000 - -1.3856 0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -0.8660 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 1.3856 -0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - -2.7713 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 2.7713 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 0.8660 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -1.7321 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1.7321 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 3 2 0 0 0 0 1 4 1 6 0 0 0 3 5 1 6 0 0 0 @@ -156,11 +156,11 @@ M END -INDIGO-01000000002D 5 4 0 0 0 0 0 0 0 0999 V2000 - -1.3856 0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -0.8660 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 1.3856 -0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - -2.7713 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 2.7713 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 0.8660 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -1.7321 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1.7321 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 3 2 0 0 0 0 1 4 1 1 0 0 0 3 5 1 1 0 0 0 @@ -184,11 +184,11 @@ M END -INDIGO-01000000002D 5 4 0 0 0 0 0 0 0 0999 V2000 - -1.3856 0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -0.8660 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 1.3856 -0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - -2.7713 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 2.7713 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 0.8660 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -1.7321 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1.7321 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 3 2 0 0 0 0 1 4 1 0 0 0 0 3 5 1 0 0 0 0 @@ -212,11 +212,11 @@ M END -INDIGO-01000000002D 5 4 0 0 0 0 0 0 0 0999 V2000 - -1.3856 0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -0.8660 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 1.3856 -0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - -2.7713 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 2.7713 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 0.8660 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -1.7321 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1.7321 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 3 2 0 0 0 0 1 4 1 6 0 0 0 3 5 1 6 0 0 0 @@ -240,11 +240,11 @@ M END -INDIGO-01000000002D 5 4 0 0 0 0 0 0 0 0999 V2000 - -1.3856 0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -0.8660 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 1.3856 -0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - -2.7713 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 2.7713 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 0.8660 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -1.7321 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1.7321 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 3 2 0 0 0 0 1 4 1 1 0 0 0 3 5 1 1 0 0 0 @@ -268,11 +268,11 @@ M END -INDIGO-01000000002D 5 4 0 0 0 0 0 0 0 0999 V2000 - -1.3856 0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -0.8660 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 1.3856 -0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - -2.7713 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 2.7713 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 0.8660 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -1.7321 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1.7321 0.0000 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@@ -1066,12 +1066,12 @@ M END 7 6 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - -1.6000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - -3.2000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 0.8000 -1.3856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - -4.0000 1.3856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 - -4.0000 -1.3856 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 - 0.8000 1.3856 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 + -1.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -2.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 0.5000 -0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -2.5000 0.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -2.5000 -0.8660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 + 0.5000 0.8660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 3 2 0 0 0 0 1 4 1 0 0 0 0 3 5 1 1 0 0 0 @@ -1100,12 +1100,12 @@ M END 7 6 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - -1.6000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - -3.2000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 0.8000 -1.3856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - -4.0000 1.3856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 - -4.0000 -1.3856 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 - 0.8000 1.3856 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 + -1.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -2.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 0.5000 -0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -2.5000 0.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -2.5000 -0.8660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 + 0.5000 0.8660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 3 2 0 0 0 0 1 4 1 0 0 0 0 3 5 1 6 0 0 0 @@ -1134,12 +1134,12 @@ M END 7 6 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - -1.6000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - -3.2000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 0.8000 -1.3856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - -4.0000 1.3856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 - -4.0000 -1.3856 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 - 0.8000 1.3856 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 + -1.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -2.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 0.5000 -0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -2.5000 0.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -2.5000 -0.8660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 + 0.5000 0.8660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 3 2 0 0 0 0 1 4 1 0 0 0 0 3 5 1 1 0 0 0 @@ -1174,11 +1174,11 @@ M END 6 5 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - -1.6000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - -3.2000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 0.8000 -1.3856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - -4.0000 1.3856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 - 0.8000 1.3856 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 + -1.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -2.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 0.5000 -0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -2.5000 0.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 0.5000 0.8660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 3 2 0 0 0 0 1 4 1 1 0 0 0 1 2 2 0 0 0 0 @@ -1205,12 +1205,12 @@ M END 7 6 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 1.6000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 3.2000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - -0.8000 -1.3856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 4.0000 1.3856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 - -0.8000 1.3856 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 - 4.0000 -1.3856 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 + 1.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 2.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -0.5000 -0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 2.5000 0.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -0.5000 0.8660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 + 2.5000 -0.8660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 3 2 0 0 0 0 1 4 1 0 0 0 0 1 2 2 0 0 0 0 @@ -1239,12 +1239,12 @@ M END 7 6 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 1.6000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 3.2000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - -0.8000 -1.3856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 4.0000 1.3856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 - -0.8000 1.3856 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 - 4.0000 -1.3856 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 + 1.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 2.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -0.5000 -0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 2.5000 0.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -0.5000 0.8660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 + 2.5000 -0.8660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 3 2 0 0 0 0 1 4 1 0 0 0 0 1 2 2 0 0 0 0 @@ -1273,20 +1273,20 @@ Molecules set: molecules/allenes/two-allenes.mol -INDIGO-01000000002D 14 12 0 0 0 0 0 0 0 0999 V2000 - 4.0000 1.3856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 2.4000 1.3856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 0.8000 1.3856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 0.0000 2.7713 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 + 2.5000 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1.5000 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 0.5000 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 0.0000 1.7321 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 - 4.8000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 - 4.8000 2.7713 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 - 12.0000 1.3856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 10.4000 1.3856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 8.8000 1.3856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 8.0000 2.7713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 8.0000 0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 - 12.8000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 - 12.8000 2.7713 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 + 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 3.0000 1.7321 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 + 7.5000 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 6.5000 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 5.5000 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 5.0000 1.7321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 5.0000 0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 + 8.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 8.0000 1.7321 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 @@ -1328,13 +1328,13 @@ Molecules set: molecules/allenes/allenes-angle.mol -INDIGO-01000000002D 7 6 0 0 0 0 0 0 0 0999 V2000 - -1.6000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -1.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - -3.2000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - -4.0000 1.3856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - -4.0000 -1.3856 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 - 0.8000 -1.3856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 0.8000 1.3856 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + -2.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -2.5000 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -2.5000 -0.8660 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 0.5000 -0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 0.5000 0.8660 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 3 4 1 0 0 0 0 @@ -1363,13 +1363,13 @@ Molecules set: molecules/allenes/no-coord.mol -INDIGO-01000000002D 7 6 0 0 0 0 0 0 0 0999 V2000 - 2.7713 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 - 1.3856 -0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1.7321 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 0.8660 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - -1.3856 0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - -2.7713 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - -4.1569 -0.8000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 - 4.1569 -0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -0.8660 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -1.7321 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -2.5981 -0.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 2.5981 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 2 0 0 0 0 diff --git a/api/tests/integration/ref/formats/rxn_no_layout.py.out b/api/tests/integration/ref/formats/rxn_no_layout.py.out index b53b3032b3..60ecfdc346 100644 --- a/api/tests/integration/ref/formats/rxn_no_layout.py.out +++ b/api/tests/integration/ref/formats/rxn_no_layout.py.out @@ -29,7 +29,7 @@ { "type": "plus", "location": [ - 10.901733, + 8.501083, 0.0, 0.0 ] @@ -37,7 +37,7 @@ { "type": "plus", "location": [ - 23.703466, + 18.902166, 0.0, 0.0 ] @@ -45,7 +45,7 @@ { "type": "plus", "location": [ - 30.103464, + 25.302164, 0.0, 0.0 ] @@ -53,7 +53,7 @@ { "type": "plus", "location": [ - 36.503464, + 31.702164, 0.0, 0.0 ] @@ -61,7 +61,7 @@ { "type": "plus", "location": [ - 44.503498, + 39.102184, 0.0, 0.0 ] @@ -69,7 +69,7 @@ { "type": "plus", "location": [ - 65.509514, + 57.405941, 0.0, 0.0 ] @@ -80,12 +80,12 @@ "mode": "open-angle", "pos": [ { - "x": 52.003532, + "x": 46.002205, "y": 0.0, "z": 0.0 }, { - "x": 54.003529, + "x": 48.002201, "y": 0.0, "z": 0.0 } @@ -100,64 +100,64 @@ { "label": "C", "location": [ - 3.703782, - 1.388298, + 2.802363, + 0.867686, 0.0 ] }, { "label": "C", "location": [ - 6.101699, - 0.004802, + 4.301062, + 0.003001, 0.0 ] }, { "label": "C", "location": [ - 5.304883, - 1.387762, + 3.803052, + 0.867352, 0.0 ] }, { "label": "C", "location": [ - 5.301149, - -1.382427, + 3.800719, + -0.864017, 0.0 ] }, { "label": "C", "location": [ - 2.900033, - -0.004267, + 2.300021, + -0.002667, 0.0 ] }, { "label": "C", "location": [ - 3.70805, - -1.385094, + 2.805031, + -0.865684, 0.0 ] }, { "label": "C", "location": [ - 2.903766, - 2.773925, + 2.302354, + 1.733703, 0.0 ] }, { "label": "C", "location": [ - 2.913368, - -2.773925, + 2.308355, + -1.733703, 0.0 ] }, @@ -165,15 +165,15 @@ "label": "C", "location": [ 1.3, - -0.008531, + -0.005332, 0.0 ] }, { "label": "C", "location": [ - 7.701734, - 0.004267, + 5.301084, + 0.002667, 0.0 ] } @@ -257,80 +257,80 @@ { "label": "C", "location": [ - 16.505514, - 1.388298, + 13.203446, + 0.867686, 0.0 ] }, { "label": "C", "location": [ - 18.903433, - 0.004802, + 14.702145, + 0.003001, 0.0 ] }, { "label": "C", "location": [ - 18.106617, - 1.387762, + 14.204135, + 0.867352, 0.0 ] }, { "label": "C", "location": [ - 18.102882, - -1.382427, + 14.201801, + -0.864017, 0.0 ] }, { "label": "C", "location": [ - 15.701766, - -0.004267, + 12.701104, + -0.002667, 0.0 ] }, { "label": "C", "location": [ - 16.509785, - -1.385094, + 13.206115, + -0.865684, 0.0 ] }, { "label": "C", "location": [ - 15.7055, - 2.773925, + 12.703437, + 1.733703, 0.0 ] }, { "label": "C", "location": [ - 15.715101, - -2.773925, + 12.709438, + -1.733703, 0.0 ] }, { "label": "C", "location": [ - 14.101733, - -0.008531, + 11.701083, + -0.005332, 0.0 ] }, { "label": "C", "location": [ - 20.503468, - 0.004267, + 15.702167, + 0.002667, 0.0 ] } @@ -414,7 +414,7 @@ { "label": "O", "location": [ - 26.903465, + 22.102165, 0.0, 0.0 ] @@ -428,7 +428,7 @@ { "label": "O", "location": [ - 33.303463, + 28.502163, 0.0, 0.0 ] @@ -442,7 +442,7 @@ { "label": "O", "location": [ - 39.703465, + 34.902164, 0.0, 0.0 ], @@ -451,7 +451,7 @@ { "label": "O", "location": [ - 41.303497, + 35.902184, 0.0, 0.0 ] @@ -473,7 +473,7 @@ { "label": "O", "location": [ - 47.703499, + 42.302185, 0.0, 0.0 ] @@ -481,7 +481,7 @@ { "label": "O", "location": [ - 49.303532, + 43.302204, 0.0, 0.0 ] @@ -503,88 +503,88 @@ { "label": "C", "location": [ - 59.911594, - 1.388298, + 52.707241, + 0.867686, 0.0 ] }, { "label": "C", "location": [ - 62.309513, - 0.004802, + 54.20594, + 0.003001, 0.0 ] }, { "label": "C", "location": [ - 61.512695, - 1.387762, + 53.707932, + 0.867352, 0.0 ] }, { "label": "C", "location": [ - 61.508965, - -1.382427, + 53.705597, + -0.864017, 0.0 ] }, { "label": "C", "location": [ - 59.107849, - -0.004267, + 52.204903, + -0.002667, 0.0 ] }, { "label": "C", "location": [ - 59.915863, - -1.385094, + 52.709911, + -0.865684, 0.0 ] }, { "label": "C", "location": [ - 59.121185, - -2.773925, + 52.213234, + -1.733703, 0.0 ] }, { "label": "C", "location": [ - 57.507812, - -0.008531, + 51.20488, + -0.005332, 0.0 ] }, { "label": "O", "location": [ - 56.703529, - 1.374429, + 50.702202, + 0.859018, 0.0 ] }, { "label": "O", "location": [ - 56.711529, - -1.396827, + 50.707199, + -0.873017, 0.0 ] }, { "label": "C", "location": [ - 59.11158, - 2.773925, + 52.207233, + 1.733703, 0.0 ] } @@ -675,88 +675,88 @@ { "label": "C", "location": [ - 71.91758, - 1.388298, + 62.610981, + 0.867686, 0.0 ] }, { "label": "C", "location": [ - 74.315506, - 0.004802, + 64.10968, + 0.003001, 0.0 ] }, { "label": "C", "location": [ - 73.518684, - 1.387762, + 63.611671, + 0.867352, 0.0 ] }, { "label": "C", "location": [ - 73.514954, - -1.382427, + 63.609337, + -0.864017, 0.0 ] }, { "label": "C", "location": [ - 71.113838, - -0.004267, + 62.108643, + -0.002667, 0.0 ] }, { "label": "C", "location": [ - 71.921852, - -1.385094, + 62.613651, + -0.865684, 0.0 ] }, { "label": "C", "location": [ - 71.127174, - -2.773925, + 62.116974, + -1.733703, 0.0 ] }, { "label": "C", "location": [ - 69.513802, - -0.008531, + 61.10862, + -0.005332, 0.0 ] }, { "label": "O", "location": [ - 68.709518, - 1.374429, + 60.605942, + 0.859018, 0.0 ] }, { "label": "O", "location": [ - 68.717514, - -1.396827, + 60.610939, + -0.873017, 0.0 ] }, { "label": "C", "location": [ - 71.117569, - 2.773925, + 62.110973, + 1.733703, 0.0 ] } diff --git a/api/tests/integration/ref/formats/smiles.py.out b/api/tests/integration/ref/formats/smiles.py.out index 50e1460739..e5715644ce 100644 --- a/api/tests/integration/ref/formats/smiles.py.out +++ b/api/tests/integration/ref/formats/smiles.py.out @@ -74,13 +74,13 @@ CCCCC |Sg:n:1,2,3::hh| *** Atropisomers *** atropisomer: C1=CC=C(C)C(C2=C(N)C=C(C)C=C2)=C1O |o1:5,r,wU:5.4| -C1=CC=C(C)C(C2=C(N)C=C(C)C=C2)=C1O |o1:5,r,wU:5.4,(2.40,-1.39,;3.20,-0.00,;2.40,1.39,;0.80,1.39,;0.00,2.77,;0.00,0.00,;-1.60,0.00,;-2.40,1.39,;-1.60,2.77,;-4.00,1.39,;-4.80,0.00,;-6.40,0.00,;-4.00,-1.39,;-2.40,-1.39,;0.80,-1.39,;-0.00,-2.77,)| +C1=CC=C(C)C(C2=C(N)C=C(C)C=C2)=C1O |o1:5,r,wU:5.4,(1.50,-0.87,;2.00,-0.00,;1.50,0.87,;0.50,0.87,;0.00,1.73,;0.00,0.00,;-1.00,0.00,;-1.50,0.87,;-1.00,1.73,;-2.50,0.87,;-3.00,0.00,;-4.00,0.00,;-2.50,-0.87,;-1.50,-0.87,;0.50,-0.87,;-0.00,-1.73,)| atropisomer: C1C(O)=C(C2C=CC(C)=CC=2N)C(C)=CC=1 |wU:3.12,wD:3.3| -C1C(O)=C(C2C=CC(C)=CC=2N)C(C)=CC=1 |wU:3.12,wD:3.3,(-2.40,1.39,;-0.80,1.39,;-0.00,2.77,;0.00,0.00,;1.60,0.00,;2.40,1.39,;4.00,1.39,;4.80,0.00,;6.40,0.00,;4.00,-1.39,;2.40,-1.39,;1.60,-2.77,;-0.80,-1.39,;0.00,-2.77,;-2.40,-1.39,;-3.20,-0.00,)| +C1C(O)=C(C2C=CC(C)=CC=2N)C(C)=CC=1 |wU:3.12,wD:3.3,(-1.50,0.87,;-0.50,0.87,;-0.00,1.73,;0.00,0.00,;1.00,0.00,;1.50,0.87,;2.50,0.87,;3.00,0.00,;4.00,0.00,;2.50,-0.87,;1.50,-0.87,;1.00,-1.73,;-0.50,-0.87,;0.00,-1.73,;-1.50,-0.87,;-2.00,-0.00,)| atropisomer: C1C(O)=C(C2C=CC(C)=CC=2N)C(C)=CC=1 |w:3.3,3.12| -C1C(O)=C(C2C=CC(C)=CC=2N)C(C)=CC=1 |w:3.3,3.12,(-2.40,1.39,;-0.80,1.39,;-0.00,2.77,;0.00,0.00,;1.60,0.00,;2.40,1.39,;4.00,1.39,;4.80,0.00,;6.40,0.00,;4.00,-1.39,;2.40,-1.39,;1.60,-2.77,;-0.80,-1.39,;0.00,-2.77,;-2.40,-1.39,;-3.20,-0.00,)| +C1C(O)=C(C2C=CC(C)=CC=2N)C(C)=CC=1 |w:3.3,3.12,(-1.50,0.87,;-0.50,0.87,;-0.00,1.73,;0.00,0.00,;1.00,0.00,;1.50,0.87,;2.50,0.87,;3.00,0.00,;4.00,0.00,;2.50,-0.87,;1.50,-0.87,;1.00,-1.73,;-0.50,-0.87,;0.00,-1.73,;-1.50,-0.87,;-2.00,-0.00,)| atropisomer: CC1=C(N2C=CC=C2[C@H](C)Cl)C(C)CCC1 |a:2,&1:8,r,wD:8.10,2.11,(13.73,-9.95,;14.59,-9.45,;15.46,-9.95,;15.46,-10.95,;16.36,-11.39,;16.22,-12.38,;15.23,-12.55,;14.76,-11.67,;13.77,-11.53,;13.16,-12.32,;13.40,-10.60,;16.33,-9.45,;17.19,-9.95,;17.23,-7.80,;16.18,-6.82,;16.07,-8.70,)| CC1=C(N2C=CC=C2[C@H](C)Cl)C(C)CCC1 |a:2,&1:8,r,wU:8.10,wD:2.11,(13.73,-9.95,;14.59,-9.45,;15.46,-9.95,;15.46,-10.95,;14.56,-11.39,;14.70,-12.38,;15.69,-12.55,;16.15,-11.67,;17.14,-11.53,;17.76,-12.32,;17.52,-10.60,;16.33,-9.45,;17.19,-9.95,;16.33,-8.45,;15.46,-7.95,;14.59,-8.45,)| diff --git a/api/tests/integration/ref/layout/basic.py.out b/api/tests/integration/ref/layout/basic.py.out index c5d1d74253..b8d3c515e5 100644 --- a/api/tests/integration/ref/layout/basic.py.out +++ b/api/tests/integration/ref/layout/basic.py.out @@ -6,14 +6,14 @@ -INDIGO-01000000002D 8 4 0 0 0 0 0 0 0 0999 V2000 - 3.2000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 3.2000 0.1600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 2.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 2.0000 0.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 - 0.0000 0.1600 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 - 1.6000 1.6000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 - 1.6000 1.7600 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 - 0.0000 4.9600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 - 1.6000 4.9600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 0.0000 0.1000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 1.0000 1.0000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 + 1.0000 1.1000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 + 0.0000 3.1000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 1.0000 3.1000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 3 4 1 0 0 0 0 5 6 1 0 0 0 0 @@ -25,24 +25,24 @@ M END 8 4 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 1.6000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 4.8000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 - 6.4000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 - 0.0000 3.2000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 - 1.6000 3.2000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 - 4.8000 3.2000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 - 6.4000 3.2000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 1.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 3.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 4.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 0.0000 2.0000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 + 1.0000 2.0000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 + 3.0000 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 4.0000 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 3 4 1 0 0 0 0 5 6 1 0 0 0 0 7 8 1 0 0 0 0 M END -Error: order has been changed:x[0]=2.0000, x[1]=0.0000 vs nx[0]=0.0000, nx[1]=4.8000 -Error: order has been changed:x[1]=0.0000, x[0]=2.0000 vs nx[1]=4.8000, nx[0]=0.0000 -Error: order has been changed:x[1]=0.0000, x[2]=1.0000 vs nx[1]=4.8000, nx[2]=0.0000 +Error: order has been changed:x[0]=2.0000, x[1]=0.0000 vs nx[0]=0.0000, nx[1]=3.0000 +Error: order has been changed:x[1]=0.0000, x[0]=2.0000 vs nx[1]=3.0000, nx[0]=0.0000 +Error: order has been changed:x[1]=0.0000, x[2]=1.0000 vs nx[1]=3.0000, nx[2]=0.0000 Error: order has been changed:x[2]=1.0000, x[0]=2.0000 vs nx[2]=0.0000, nx[0]=0.0000 -Error: order has been changed:x[2]=1.0000, x[1]=0.0000 vs nx[2]=0.0000, nx[1]=4.8000 +Error: order has been changed:x[2]=1.0000, x[1]=0.0000 vs nx[2]=0.0000, nx[1]=3.0000 *** Molecule layout for data sgroups *** Result: Success *** Reaction layout for data sgroups *** diff --git a/api/tests/integration/ref/rendering/sgroups_instrumentation.py.out b/api/tests/integration/ref/rendering/sgroups_instrumentation.py.out index 132251e75a..19c3c57456 100644 --- a/api/tests/integration/ref/rendering/sgroups_instrumentation.py.out +++ b/api/tests/integration/ref/rendering/sgroups_instrumentation.py.out @@ -2,18 +2,18 @@ -INDIGO-01000000002D 12 8 0 0 0 0 0 0 0 0999 V2000 - 2.4000 2.7713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 0.8000 2.7713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 0.0000 1.3856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 0.8000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 2.4000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 3.2000 1.3856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 6.4000 0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 7.7856 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 9.1713 0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 12.3713 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 - 0.0000 5.9713 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 - 3.2000 5.9713 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 + 1.5000 1.7321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 0.5000 1.7321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 0.0000 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 0.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 2.0000 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 4.0000 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 4.8660 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 5.7321 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 7.7321 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 0.0000 3.7321 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 2.0000 3.7321 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 1 2 4 0 0 0 0 2 3 4 0 0 0 0 3 4 4 0 0 0 0 @@ -47,18 +47,18 @@ M END -INDIGO-01000000002D 12 8 0 0 0 0 0 0 0 0999 V2000 - 2.4001 2.7713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 3.2001 1.3856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 2.4001 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 0.8000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 0.0000 1.3856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 0.8000 2.7713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 6.4000 0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 7.7856 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 9.1712 0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 12.3713 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 - 0.0000 5.9713 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 - 3.2001 5.9713 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 + 1.5000 1.7321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 2.0001 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 0.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 0.0000 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 0.5000 1.7321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 4.0000 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 4.8660 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 5.7320 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 7.7321 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 0.0000 3.7321 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 2.0001 3.7321 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 1 2 4 0 0 0 0 2 3 4 0 0 0 0 3 4 4 0 0 0 0 @@ -92,18 +92,18 @@ M END -INDIGO-01000000002D 12 8 0 0 0 0 0 0 0 0999 V2000 - 2.4000 2.7713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 0.8000 2.7713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 0.0000 1.3856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 0.8000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 2.4000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 3.2000 1.3856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 6.4000 0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 7.7856 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 9.1713 0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 12.3713 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 - 0.0000 5.9713 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 - 3.2000 5.9713 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 + 1.5000 1.7321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 0.5000 1.7321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 0.0000 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 0.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 2.0000 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 4.0000 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 4.8660 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 5.7321 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 7.7321 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 0.0000 3.7321 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 2.0000 3.7321 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 1 2 4 0 0 0 0 2 3 4 0 0 0 0 3 4 4 0 0 0 0 @@ -137,18 +137,18 @@ M END -INDIGO-01000000002D 12 8 0 0 0 0 0 0 0 0999 V2000 - 2.4000 2.7713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 3.2001 1.3857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 2.4000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 0.8000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 0.0000 1.3857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 0.8000 2.7713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 6.3999 0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 7.7857 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 9.1713 0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 12.3714 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 - 0.0000 5.9713 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 - 3.2001 5.9713 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 + 1.5001 1.7320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1.9999 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1.5001 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 0.5001 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 0.0000 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 0.5001 1.7320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 4.0001 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 4.8659 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 5.7320 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 7.7320 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 0.0000 3.7320 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 1.9999 3.7320 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 1 2 4 0 0 0 0 2 3 4 0 0 0 0 3 4 4 0 0 0 0 diff --git a/api/tests/integration/ref/standardize/basic.py.out b/api/tests/integration/ref/standardize/basic.py.out index 24d4e8a98b..f5dbd60e72 100644 --- a/api/tests/integration/ref/standardize/basic.py.out +++ b/api/tests/integration/ref/standardize/basic.py.out @@ -1430,27 +1430,27 @@ M END -INDIGO-01000000002D 21 21 0 0 1 0 0 0 0 0999 V2000 - -4.8000 2.7713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - -4.0000 4.1569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - -4.8000 5.5426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 - -2.4000 4.1569 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 - -1.6000 2.7713 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 - -2.4000 1.3856 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 - -4.0000 1.3856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 - -1.6000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.0000 1.7321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -2.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.0000 3.4641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -1.5000 2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + -1.0000 1.7321 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 + -1.5000 0.8660 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 + -2.5000 0.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -1.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 - 1.5035 -0.5472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 - 0.8000 1.3856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 - 0.0000 2.7713 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 - 0.8000 4.1569 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 - 0.0000 5.5426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 - 2.4000 4.1569 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 - 3.2000 2.7713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 - 3.2000 5.5426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 4.8000 5.5426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 - -0.2778 -1.5757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - -1.7813 -2.1229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 - 0.9478 -2.6042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 0.9397 -0.3420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 0.5000 0.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 0.0000 1.7321 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 + 0.5000 2.5981 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 + 0.0000 3.4641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 1.5000 2.5981 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 + 2.0000 1.7321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 2.0000 3.4641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 3.0000 3.4641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -0.1736 -0.9848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -1.1133 -1.3268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 0.5924 -1.6276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 @@ -1478,27 +1478,27 @@ M END -INDIGO-01000000002D 21 21 0 0 1 0 0 0 0 0999 V2000 - -4.8000 2.7713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - -4.0000 4.1569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - -4.8000 5.5426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 - -2.4000 4.1569 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 - -1.6000 2.7713 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 - -2.4000 1.3856 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 - -4.0000 1.3856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 - -1.6000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.0000 1.7321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -2.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.0000 3.4641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -1.5000 2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + -1.0000 1.7321 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 + -1.5000 0.8660 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 + -2.5000 0.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -1.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 - 1.5035 -0.5472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 - 0.8000 1.3856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 - 0.0000 2.7713 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 - 0.8000 4.1569 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 - 0.0000 5.5426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 - 2.4000 4.1569 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 - 3.2000 2.7713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 - 3.2000 5.5426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 4.8000 5.5426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 - -0.2778 -1.5757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - -1.7813 -2.1229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 - 0.9478 -2.6042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 0.9397 -0.3420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 0.5000 0.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 0.0000 1.7321 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 + 0.5000 2.5981 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 + 0.0000 3.4641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 1.5000 2.5981 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 + 2.0000 1.7321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 2.0000 3.4641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 3.0000 3.4641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -0.1736 -0.9848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -1.1133 -1.3268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 0.5924 -1.6276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 diff --git a/api/tests/integration/tests/basic/ref/crazystereo.ket b/api/tests/integration/tests/basic/ref/crazystereo.ket index 4e8bb3b987..2348165571 100644 --- a/api/tests/integration/tests/basic/ref/crazystereo.ket +++ b/api/tests/integration/tests/basic/ref/crazystereo.ket @@ -13,12 +13,12 @@ "mode": "open-angle", "pos": [ { - "x": 9.542718, + "x": 7.464198, "y": 0.0, "z": 0.0 }, { - "x": 11.542719, + "x": 9.464199, "y": 0.0, "z": 0.0 } @@ -33,16 +33,16 @@ { 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"location": [ - 18.399563, - 2.799964, + 14.762227, + 1.749978, 0.0 ] }, { "label": "C", "location": [ - 18.399563, - 1.199985, + 14.762227, + 0.74999, 0.0 ], "stereoLabel": "&1" @@ -222,32 +222,32 @@ { "label": "C", "location": [ - 19.785242, - 0.399995, + 15.628277, + 0.249997, 0.0 ] }, { "label": "C", "location": [ - 21.170923, - 1.199985, + 16.494328, + 0.74999, 0.0 ] }, { "label": "C", "location": [ - 21.170923, - 2.799964, + 16.494328, + 1.749978, 0.0 ] }, { "label": "C", "location": [ - 17.014078, - 0.399995, + 13.896298, + 0.249997, 0.0 ], "stereoLabel": "&1" @@ -255,64 +255,64 @@ { "label": "C", "location": [ - 15.628398, - 1.199985, + 13.030249, + 0.74999, 0.0 ] }, { "label": "C", "location": [ - 14.242719, - 0.399995, + 12.164199, + 0.249997, 0.0 ] }, { "label": "C", "location": [ - 14.242719, - -1.199985, + 12.164199, + -0.749991, 0.0 ] }, { "label": "C", "location": [ - 15.628398, - -1.999975, + 13.030249, + -1.249985, 0.0 ] }, { "label": "C", "location": [ - 17.014078, - -1.199985, + 13.896298, + -0.749991, 0.0 ] }, { "label": "P", "location": [ - 18.399563, - -1.999975, + 14.762227, + -1.249985, 0.0 ] }, { "label": "C", "location": [ - 19.999542, - -1.999975, + 15.762215, + -1.249985, 0.0 ] }, { "label": "C", "location": [ - 18.399563, - -3.599955, + 14.762227, + -2.249972, 0.0 ] } diff --git a/api/tests/integration/tests/formats/reactions/ket_retro_arrow.ket b/api/tests/integration/tests/formats/reactions/ket_retro_arrow.ket index 98dd7c85dc..20893f3cee 100644 --- a/api/tests/integration/tests/formats/reactions/ket_retro_arrow.ket +++ b/api/tests/integration/tests/formats/reactions/ket_retro_arrow.ket @@ -13,12 +13,12 @@ "mode": "retrosynthetic", "pos": [ { - "x": 5.171281, + "x": 3.232051, "y": 0.0, "z": 0.0 }, { - "x": 6.771282, + "x": 4.232051, "y": 0.0, "z": 0.0 } @@ -33,32 +33,32 @@ { "label": "C", "location": [ - 2.185641, - -1.2, + 1.366025, + -0.75, 0.0 ] }, { "label": "C", "location": [ - 2.185641, - 0.4, + 1.366025, + 0.25, 0.0 ] }, { "label": "C", "location": [ - 0.8, - 1.2, + 0.5, + 0.75, 0.0 ] }, { "label": "N", "location": [ - 3.571281, - 1.2, + 2.232051, + 0.75, 0.0 ] } @@ -93,24 +93,24 @@ { "label": "O", "location": [ - 8.371282, - 0.4, + 5.232051, + 0.25, 0.0 ] }, { "label": "C", "location": [ - 9.756922, - -0.4, + 6.098076, + -0.25, 0.0 ] }, { "label": "O", "location": [ - 11.142563, - 0.4, + 6.964102, + 0.25, 0.0 ] } diff --git a/api/tests/integration/tests/formats/ref/2485-bad-layout.ket b/api/tests/integration/tests/formats/ref/2485-bad-layout.ket index 345cc4ebc7..5573730d10 100644 --- a/api/tests/integration/tests/formats/ref/2485-bad-layout.ket +++ b/api/tests/integration/tests/formats/ref/2485-bad-layout.ket @@ -13,7 +13,7 @@ { "type": "plus", "location": [ - 7.0910515785217289, + 6.119407176971436, 0.0, 0.0 ] @@ -24,12 +24,12 @@ "mode": "open-angle", "pos": [ { - "x": 15.75954532623291, + "x": 13.749715805053713, "y": 0.0, "z": 0.0 }, { - "x": 17.759544372558599, + "x": 15.749714851379397, "y": 0.0, "z": 0.0 } @@ -44,32 +44,32 @@ { "label": "C", "location": [ - 2.595525741577149, - 1.2320854663848878, + 2.109703540802002, + 0.7700533270835877, 0.0 ] }, { "label": "C", "location": [ - 3.396169900894165, - -1.2320854663848878, + 2.6101059913635256, + -0.7700533270835877, 0.0 ] }, { "label": "C", "location": [ - 3.8910512924194338, - 0.2818402051925659, + 2.9194068908691408, + 0.1761501431465149, 0.0 ] }, { "label": "C", "location": [ - 1.7948843240737916, - -1.2320854663848878, + 1.609302639961243, + -0.7700533270835877, 0.0 ] }, @@ -77,7 +77,7 @@ "label": "C", "location": [ 1.2999999523162842, - 0.2818402051925659, + 0.1761501431465149, 0.0 ] } @@ -126,48 +126,48 @@ { "label": "C", "location": [ - 10.291051864624024, - 0.7998448610305786, + 9.31940746307373, + 0.49990296363830569, 0.0 ] }, { "label": "C", "location": [ - 13.059545516967774, - 0.8006442785263062, + 11.049715995788576, + 0.5004026889801025, 0.0 ] }, { "label": "C", "location": [ - 11.677938461303713, - 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-1.0007253885269166, 0.0 ] }, { "label": "C", "location": [ - 41.33474349975586, - -2.402141094207764, + 29.096717834472658, + -1.5013381242752076, 0.0 ] }, { "label": "C", "location": [ - 42.72101974487305, - -1.603400707244873, + 29.96314239501953, + -1.0021255016326905, 0.0 ] }, { "label": "N", "location": [ - 44.10601806640625, - -2.404381036758423, + 30.82876205444336, + -1.502738118171692, 0.0 ] }, { "label": "O", "location": [ - 42.7223014831543, - -0.0033600330352783205, + 29.96394157409668, + -0.002099990844726563, 0.0 ] }, { "label": "C", "location": [ - 39.95103073120117, - -0.0011200904846191409, + 28.231897354125978, + -0.0006999969482421875, 0.0 ] }, { "label": "C", "location": [ - 38.56603622436524, - 0.7998602390289307, + 27.366275787353517, + 0.4999126195907593, 0.0 ] } diff --git a/api/tests/integration/tests/formats/ref/acgt_1412.ket b/api/tests/integration/tests/formats/ref/acgt_1412.ket index a5874e98d9..3c8ae8aa1b 100644 --- a/api/tests/integration/tests/formats/ref/acgt_1412.ket +++ b/api/tests/integration/tests/formats/ref/acgt_1412.ket @@ -299,7 +299,7 @@ "seqid": 2, "position": { "x": 7.409950256347656, - "y": -9.287500381469727 + "y": -8.6875 }, "alias": "A", "templateId": "Ade" @@ -321,7 +321,7 @@ "seqid": 3, "position": { "x": 8.354849815368653, - "y": -9.287500381469727 + "y": -8.6875 }, "alias": "C", "templateId": "Cyt" @@ -343,7 +343,7 @@ "seqid": 4, "position": { "x": 9.299699783325196, - "y": -9.287500381469727 + "y": -8.6875 }, "alias": "G", "templateId": "Gua" @@ -365,7 +365,7 @@ "seqid": 5, "position": { "x": 10.244550704956055, - "y": -9.287500381469727 + "y": -8.6875 }, "alias": "T", "templateId": "Thy" @@ -375,7 +375,7 @@ "id": "13", "seqid": 6, "position": { - "x": 12.317000389099121, + "x": 11.717000007629395, "y": -7.6875 }, "alias": "R", @@ -386,8 +386,8 @@ "id": "14", "seqid": 6, "position": { - "x": 12.317000389099121, - "y": -9.287500381469727 + "x": 11.717000007629395, + "y": -8.6875 }, "alias": "U", "templateId": "Ura" diff --git a/api/tests/integration/tests/formats/ref/all_aminoacids.ket b/api/tests/integration/tests/formats/ref/all_aminoacids.ket index 57d743d1a0..3fc9cc2bf3 100644 --- a/api/tests/integration/tests/formats/ref/all_aminoacids.ket +++ b/api/tests/integration/tests/formats/ref/all_aminoacids.ket @@ -383,7 +383,7 @@ "id": "1", "seqid": 2, "position": { - "x": 1.600000, + "x": 1.000000, "y": -0.000000 }, "alias": "C", @@ -394,7 +394,7 @@ "id": "2", "seqid": 3, "position": { - "x": 3.200000, + "x": 2.000000, "y": -0.000000 }, "alias": "D", @@ -405,7 +405,7 @@ "id": "3", "seqid": 4, "position": { - "x": 4.800000, + "x": 3.000000, "y": -0.000000 }, "alias": "E", @@ -416,7 +416,7 @@ "id": "4", "seqid": 5, "position": { - "x": 6.400000, + "x": 4.000000, "y": -0.000000 }, "alias": "F", @@ -427,7 +427,7 @@ "id": "5", "seqid": 6, "position": { - "x": 8.000000, + "x": 5.000000, "y": -0.000000 }, "alias": "G", @@ -438,7 +438,7 @@ "id": "6", "seqid": 7, "position": { - "x": 9.600000, + "x": 6.000000, "y": -0.000000 }, "alias": "H", @@ -449,7 +449,7 @@ "id": "7", "seqid": 8, "position": { - "x": 11.200000, + "x": 7.000000, "y": -0.000000 }, "alias": "I", @@ -460,7 +460,7 @@ "id": "8", "seqid": 9, "position": { - "x": 12.800000, + "x": 8.000000, "y": -0.000000 }, "alias": "K", @@ -471,7 +471,7 @@ "id": "9", "seqid": 10, "position": { - "x": 14.400001, + "x": 9.000000, "y": -0.000000 }, "alias": "L", @@ -482,7 +482,7 @@ "id": "10", "seqid": 11, "position": { - "x": 16.000000, + "x": 10.000000, "y": -0.000000 }, "alias": "M", @@ -493,7 +493,7 @@ "id": "11", "seqid": 12, "position": { - "x": 17.600000, + "x": 11.000000, "y": -0.000000 }, "alias": "N", @@ -504,7 +504,7 @@ "id": "12", "seqid": 13, "position": { - "x": 19.200001, + "x": 12.000000, "y": -0.000000 }, "alias": "O", @@ -515,7 +515,7 @@ "id": "13", "seqid": 14, "position": { - "x": 20.800001, + "x": 13.000000, "y": -0.000000 }, "alias": "P", @@ -526,7 +526,7 @@ "id": "14", "seqid": 15, "position": { - "x": 22.400000, + "x": 14.000000, "y": -0.000000 }, "alias": "Q", @@ -537,7 +537,7 @@ "id": "15", "seqid": 16, "position": { - "x": 24.000000, + "x": 15.000000, "y": -0.000000 }, "alias": "R", @@ -548,7 +548,7 @@ "id": "16", "seqid": 17, "position": { - "x": 25.600000, + "x": 16.000000, "y": -0.000000 }, "alias": "S", @@ -559,7 +559,7 @@ "id": "17", "seqid": 18, "position": { - "x": 27.200001, + "x": 17.000000, "y": -0.000000 }, "alias": "R", @@ -570,7 +570,7 @@ "id": "18", "seqid": 19, "position": { - "x": 28.800001, + "x": 18.000000, "y": -0.000000 }, "alias": "U", @@ -581,7 +581,7 @@ "id": "19", "seqid": 20, "position": { - "x": 30.400000, + "x": 19.000000, "y": -0.000000 }, "alias": "V", @@ -592,7 +592,7 @@ "id": "20", "seqid": 21, "position": { - "x": 32.000000, + "x": 20.000000, "y": -0.000000 }, "alias": "W", @@ -603,7 +603,7 @@ "id": "21", "seqid": 22, "position": { - "x": 33.600002, + "x": 21.000000, "y": -0.000000 }, "alias": "Y", diff --git a/api/tests/integration/tests/formats/ref/aminoacids_variants.ket b/api/tests/integration/tests/formats/ref/aminoacids_variants.ket index d89d4c517e..775c341e81 100644 --- a/api/tests/integration/tests/formats/ref/aminoacids_variants.ket +++ b/api/tests/integration/tests/formats/ref/aminoacids_variants.ket @@ -145,7 +145,7 @@ "type": "ambiguousMonomer", "id": "1", "position": { - "x": 1.600000, + "x": 1.000000, "y": -0.000000 }, "seqid": 2, @@ -156,7 +156,7 @@ "type": "ambiguousMonomer", "id": "2", "position": { - "x": 3.200000, + "x": 2.000000, "y": -0.000000 }, "seqid": 3, @@ -167,7 +167,7 @@ "type": "ambiguousMonomer", "id": "3", "position": { - "x": 4.800000, + "x": 3.000000, "y": -0.000000 }, "seqid": 4, diff --git a/api/tests/integration/tests/formats/ref/break_peptide.ket b/api/tests/integration/tests/formats/ref/break_peptide.ket index 05c4414bbd..dbf7d4d47f 100644 --- a/api/tests/integration/tests/formats/ref/break_peptide.ket +++ b/api/tests/integration/tests/formats/ref/break_peptide.ket @@ -4961,7 +4961,7 @@ "id": "1", "seqid": 2, "position": { - "x": 1.600000, + "x": 1.000000, "y": -0.000000 }, "alias": "D", @@ -4972,7 +4972,7 @@ "id": "2", "seqid": 3, "position": { - "x": 3.200000, + "x": 2.000000, "y": -0.000000 }, "alias": "D", @@ -4983,7 +4983,7 @@ "id": "3", "seqid": 4, "position": { - "x": 4.800000, + "x": 3.000000, "y": -0.000000 }, "alias": "Q", @@ -4994,7 +4994,7 @@ "id": "4", "seqid": 5, "position": { - "x": 6.400000, + "x": 4.000000, "y": -0.000000 }, "alias": "S", @@ -5005,7 +5005,7 @@ "id": "5", "seqid": 6, "position": { - "x": 8.000000, + "x": 5.000000, "y": -0.000000 }, "alias": "P", @@ -5016,7 +5016,7 @@ "id": "6", "seqid": 7, "position": { - "x": 9.600000, + "x": 6.000000, "y": -0.000000 }, "alias": "A", @@ -5027,7 +5027,7 @@ "id": "7", "seqid": 8, "position": { - "x": 11.200000, + "x": 7.000000, "y": -0.000000 }, "alias": "E", @@ -5038,7 +5038,7 @@ "id": "8", "seqid": 9, "position": { - "x": 12.800000, + "x": 8.000000, "y": -0.000000 }, "alias": "K", @@ -5049,7 +5049,7 @@ "id": "9", "seqid": 10, "position": { - "x": 14.400001, + "x": 9.000000, "y": -0.000000 }, "alias": "K", @@ -5060,7 +5060,7 @@ "id": "10", "seqid": 11, "position": { - "x": 16.000000, + "x": 10.000000, "y": -0.000000 }, "alias": "G", @@ -5071,7 +5071,7 @@ "id": "11", "seqid": 12, "position": { - "x": 17.600000, + "x": 11.000000, "y": -0.000000 }, "alias": "L", @@ -5082,7 +5082,7 @@ "id": "12", "seqid": 13, "position": { - "x": 19.200001, + "x": 12.000000, "y": -0.000000 }, "alias": "R", @@ -5093,7 +5093,7 @@ "id": "13", "seqid": 14, "position": { - "x": 20.800001, + "x": 13.000000, "y": -0.000000 }, "alias": "C", @@ -5104,7 +5104,7 @@ "id": "14", "seqid": 15, "position": { - "x": 22.400000, + "x": 14.000000, "y": -0.000000 }, "alias": "Q", @@ -5115,7 +5115,7 @@ "id": "15", "seqid": 16, "position": { - "x": 24.000000, + "x": 15.000000, "y": -0.000000 }, "alias": "N", @@ -5126,7 +5126,7 @@ "id": "16", "seqid": 17, "position": { - "x": 25.600000, + "x": 16.000000, "y": -0.000000 }, "alias": "P", @@ -5137,7 +5137,7 @@ "id": "17", "seqid": 18, "position": { - "x": 27.200001, + "x": 17.000000, "y": -0.000000 }, "alias": "A", @@ -5148,7 +5148,7 @@ "id": "18", "seqid": 19, "position": { - "x": 28.800001, + "x": 18.000000, "y": -0.000000 }, "alias": "C", @@ -5159,7 +5159,7 @@ "id": "19", "seqid": 20, "position": { - "x": 30.400000, + "x": 19.000000, "y": -0.000000 }, "alias": "M", @@ -5170,7 +5170,7 @@ "id": "20", "seqid": 21, "position": { - "x": 32.000000, + "x": 20.000000, "y": -0.000000 }, "alias": "D", @@ -5181,7 +5181,7 @@ "id": "21", "seqid": 22, "position": { - "x": 33.600002, + "x": 21.000000, "y": -0.000000 }, "alias": "K", @@ -5192,7 +5192,7 @@ "id": "22", "seqid": 23, "position": { - "x": 35.200001, + "x": 22.000000, "y": -0.000000 }, "alias": "G", @@ -5203,7 +5203,7 @@ "id": "23", "seqid": 24, "position": { - "x": 36.799999, + "x": 23.000000, "y": -0.000000 }, "alias": "R", @@ -5214,7 +5214,7 @@ "id": "24", "seqid": 25, "position": { - "x": 38.400002, + "x": 24.000000, "y": -0.000000 }, "alias": "A", @@ -5225,7 +5225,7 @@ "id": "25", "seqid": 26, "position": { - "x": 40.000000, + "x": 25.000000, "y": -0.000000 }, "alias": "A", @@ -5236,7 +5236,7 @@ "id": "26", "seqid": 27, "position": { - "x": 41.600002, + "x": 26.000000, "y": -0.000000 }, "alias": "K", @@ -5247,7 +5247,7 @@ "id": "27", "seqid": 28, "position": { - "x": 43.200001, + "x": 27.000000, "y": -0.000000 }, "alias": "V", @@ -5258,7 +5258,7 @@ "id": "28", "seqid": 29, "position": { - "x": 44.799999, + "x": 28.000000, "y": -0.000000 }, "alias": "C", @@ -5269,7 +5269,7 @@ "id": "29", "seqid": 30, "position": { - "x": 46.400002, + "x": 29.000000, "y": -0.000000 }, "alias": "H", @@ -5280,7 +5280,7 @@ "id": "30", "seqid": 31, "position": { - "x": 48.000000, + "x": 30.000000, "y": -0.000000 }, "alias": "H", @@ -5291,7 +5291,7 @@ "id": "31", "seqid": 32, "position": { - "x": 49.600002, + "x": 31.000000, "y": -0.000000 }, "alias": "A", @@ -5302,7 +5302,7 @@ "id": "32", "seqid": 33, "position": { - "x": 51.200001, + "x": 32.000000, "y": -0.000000 }, "alias": "D", @@ -5313,7 +5313,7 @@ "id": "33", "seqid": 34, "position": { - "x": 52.799999, + "x": 33.000000, "y": -0.000000 }, "alias": "C", @@ -5324,7 +5324,7 @@ "id": "34", "seqid": 35, "position": { - "x": 54.400002, + "x": 34.000000, "y": -0.000000 }, "alias": "Q", @@ -5335,7 +5335,7 @@ "id": "35", "seqid": 36, "position": { - "x": 56.000000, + "x": 35.000000, "y": -0.000000 }, "alias": "Q", @@ -5346,7 +5346,7 @@ "id": "36", "seqid": 37, "position": { - "x": 57.600002, + "x": 36.000000, "y": -0.000000 }, "alias": "L", @@ -5357,7 +5357,7 @@ "id": "37", "seqid": 38, "position": { - "x": 59.200001, + "x": 37.000000, "y": -0.000000 }, "alias": "H", @@ -5368,7 +5368,7 @@ "id": "38", "seqid": 39, "position": { - "x": 60.799999, + "x": 38.000000, "y": -0.000000 }, "alias": "R", @@ -5379,7 +5379,7 @@ "id": "39", "seqid": 40, "position": { - "x": 62.400002, + "x": 39.000000, "y": -0.000000 }, "alias": "R", @@ -5390,7 +5390,7 @@ "id": "40", "seqid": 41, "position": { - "x": 64.000000, + "x": 40.000000, "y": -0.000000 }, "alias": "G", @@ -5401,7 +5401,7 @@ "id": "41", "seqid": 42, "position": { - "x": 65.599998, + "x": 41.000000, "y": -0.000000 }, "alias": "P", @@ -5412,7 +5412,7 @@ "id": "42", "seqid": 43, "position": { - "x": 67.200005, + "x": 42.000000, "y": -0.000000 }, "alias": "L", @@ -5423,7 +5423,7 @@ "id": "43", "seqid": 44, "position": { - "x": 68.800003, + "x": 43.000000, "y": -0.000000 }, "alias": "N", @@ -5434,7 +5434,7 @@ "id": "44", "seqid": 45, "position": { - "x": 70.400002, + "x": 44.000000, "y": -0.000000 }, "alias": "L", @@ -5445,7 +5445,7 @@ "id": "45", "seqid": 46, "position": { - "x": 72.000000, + "x": 45.000000, "y": -0.000000 }, "alias": "C", @@ -5456,7 +5456,7 @@ "id": "46", "seqid": 47, "position": { - "x": 73.599998, + "x": 46.000000, "y": -0.000000 }, "alias": "E", @@ -5467,7 +5467,7 @@ "id": "47", "seqid": 48, "position": { - "x": 75.200005, + "x": 47.000000, "y": -0.000000 }, "alias": "A", @@ -5478,7 +5478,7 @@ "id": "48", "seqid": 49, "position": { - "x": 76.800003, + "x": 48.000000, "y": -0.000000 }, "alias": "C", @@ -5489,7 +5489,7 @@ "id": "49", "seqid": 50, "position": { - "x": 78.400002, + "x": 49.000000, "y": -0.000000 }, "alias": "D", @@ -5500,7 +5500,7 @@ "id": "50", "seqid": 51, "position": { - "x": 80.000000, + "x": 50.000000, "y": -0.000000 }, "alias": "S", @@ -5511,7 +5511,7 @@ "id": "51", "seqid": 52, "position": { - "x": 81.599998, + "x": 51.000000, "y": -0.000000 }, "alias": "K", @@ -5522,7 +5522,7 @@ "id": "52", "seqid": 53, "position": { - "x": 83.200005, + "x": 52.000000, "y": -0.000000 }, "alias": "F", @@ -5533,7 +5533,7 @@ "id": "53", "seqid": 54, "position": { - "x": 84.800003, + "x": 53.000000, "y": -0.000000 }, "alias": "H", @@ -5544,7 +5544,7 @@ "id": "54", "seqid": 55, "position": { - "x": 86.400002, + "x": 54.000000, "y": -0.000000 }, "alias": "S", @@ -5555,7 +5555,7 @@ "id": "55", "seqid": 56, "position": { - "x": 88.000000, + "x": 55.000000, "y": -0.000000 }, "alias": "T", @@ -5566,7 +5566,7 @@ "id": "56", "seqid": 57, "position": { - "x": 89.599998, + "x": 56.000000, "y": -0.000000 }, "alias": "M", @@ -5577,7 +5577,7 @@ "id": "57", "seqid": 58, "position": { - "x": 91.200005, + "x": 57.000000, "y": -0.000000 }, "alias": "H", @@ -5588,7 +5588,7 @@ "id": "58", "seqid": 59, "position": { - "x": 92.800003, + "x": 58.000000, "y": -0.000000 }, "alias": "Y", @@ -5599,7 +5599,7 @@ "id": "59", "seqid": 60, "position": { - "x": 94.400002, + "x": 59.000000, "y": -0.000000 }, "alias": "D", @@ -5610,7 +5610,7 @@ "id": "60", "seqid": 61, "position": { - "x": 96.000000, + "x": 60.000000, "y": -0.000000 }, "alias": "G", @@ -5621,7 +5621,7 @@ "id": "61", "seqid": 62, "position": { - "x": 97.599998, + "x": 61.000000, "y": -0.000000 }, "alias": "H", @@ -5632,7 +5632,7 @@ "id": "62", "seqid": 63, "position": { - "x": 99.200005, + "x": 62.000000, "y": -0.000000 }, "alias": "V", @@ -5643,7 +5643,7 @@ "id": "63", "seqid": 64, "position": { - "x": 100.800003, + "x": 63.000000, "y": -0.000000 }, "alias": "R", @@ -5654,7 +5654,7 @@ "id": "64", "seqid": 65, "position": { - "x": 102.400002, + "x": 64.000000, "y": -0.000000 }, "alias": "F", @@ -5665,7 +5665,7 @@ "id": "65", "seqid": 66, "position": { - "x": 104.000000, + "x": 65.000000, "y": -0.000000 }, "alias": "D", @@ -5676,7 +5676,7 @@ "id": "66", "seqid": 67, "position": { - "x": 105.599998, + "x": 66.000000, "y": -0.000000 }, "alias": "L", @@ -5687,7 +5687,7 @@ "id": "67", "seqid": 68, "position": { - "x": 107.200005, + "x": 67.000000, "y": -0.000000 }, "alias": "P", @@ -5698,7 +5698,7 @@ "id": "68", "seqid": 69, "position": { - "x": 108.800003, + "x": 68.000000, "y": -0.000000 }, "alias": "P", @@ -5709,7 +5709,7 @@ "id": "69", "seqid": 70, "position": { - "x": 110.400002, + "x": 69.000000, "y": -0.000000 }, "alias": "Q", @@ -5720,7 +5720,7 @@ "id": "70", "seqid": 71, "position": { - "x": 112.000000, + "x": 70.000000, "y": -0.000000 }, "alias": "G", @@ -5731,7 +5731,7 @@ "id": "71", "seqid": 72, "position": { - "x": 113.599998, + "x": 71.000000, "y": -0.000000 }, "alias": "S", @@ -5742,7 +5742,7 @@ "id": "72", "seqid": 73, "position": { - "x": 115.200005, + "x": 72.000000, "y": -0.000000 }, "alias": "V", @@ -5753,7 +5753,7 @@ "id": "73", "seqid": 74, "position": { - "x": 116.800003, + "x": 73.000000, "y": -0.000000 }, "alias": "L", @@ -5764,7 +5764,7 @@ "id": "74", "seqid": 75, "position": { - "x": 118.400002, + "x": 74.000000, "y": -0.000000 }, "alias": "A", @@ -5775,7 +5775,7 @@ "id": "75", "seqid": 76, "position": { - "x": 120.000000, + "x": 75.000000, "y": -0.000000 }, "alias": "R", @@ -5786,7 +5786,7 @@ "id": "76", "seqid": 77, "position": { - "x": 121.599998, + "x": 76.000000, "y": -0.000000 }, "alias": "N", @@ -5797,7 +5797,7 @@ "id": "77", "seqid": 78, "position": { - "x": 123.200005, + "x": 77.000000, "y": -0.000000 }, "alias": "V", @@ -5808,7 +5808,7 @@ "id": "78", "seqid": 79, "position": { - "x": 124.800003, + "x": 78.000000, "y": -0.000000 }, "alias": "S", @@ -5819,7 +5819,7 @@ "id": "79", "seqid": 80, "position": { - "x": 126.400002, + "x": 79.000000, "y": -0.000000 }, "alias": "T", @@ -5830,7 +5830,7 @@ "id": "80", "seqid": 81, "position": { - "x": 128.000000, + "x": 80.000000, "y": -0.000000 }, "alias": "R", @@ -5841,7 +5841,7 @@ "id": "81", "seqid": 82, "position": { - "x": 129.600006, + "x": 81.000000, "y": -0.000000 }, "alias": "S", @@ -5852,7 +5852,7 @@ "id": "82", "seqid": 83, "position": { - "x": 131.199997, + "x": 82.000000, "y": -0.000000 }, "alias": "C", @@ -5863,7 +5863,7 @@ "id": "83", "seqid": 84, "position": { - "x": 132.800003, + "x": 83.000000, "y": -0.000000 }, "alias": "P", @@ -5874,7 +5874,7 @@ "id": "84", "seqid": 85, "position": { - "x": 134.400009, + "x": 84.000000, "y": -0.000000 }, "alias": "P", @@ -5885,7 +5885,7 @@ "id": "85", "seqid": 86, "position": { - "x": 136.000000, + "x": 85.000000, "y": -0.000000 }, "alias": "R", @@ -5896,7 +5896,7 @@ "id": "86", "seqid": 87, "position": { - "x": 137.600006, + "x": 86.000000, "y": -0.000000 }, "alias": "T", @@ -5907,7 +5907,7 @@ "id": "87", "seqid": 88, "position": { - "x": 139.199997, + "x": 87.000000, "y": -0.000000 }, "alias": "S", @@ -5918,7 +5918,7 @@ "id": "88", "seqid": 89, "position": { - "x": 140.800003, + "x": 88.000000, "y": -0.000000 }, "alias": "P", @@ -5929,7 +5929,7 @@ "id": "89", "seqid": 90, "position": { - "x": 142.400009, + "x": 89.000000, "y": -0.000000 }, "alias": "A", @@ -5940,7 +5940,7 @@ "id": "90", "seqid": 91, "position": { - "x": 144.000000, + "x": 90.000000, "y": -0.000000 }, "alias": "V", @@ -5951,7 +5951,7 @@ "id": "91", "seqid": 92, "position": { - "x": 145.600006, + "x": 91.000000, "y": -0.000000 }, "alias": "D", @@ -5962,7 +5962,7 @@ "id": "92", "seqid": 93, "position": { - "x": 147.199997, + "x": 92.000000, "y": -0.000000 }, "alias": "L", @@ -5973,7 +5973,7 @@ "id": "93", "seqid": 94, "position": { - "x": 148.800003, + "x": 93.000000, "y": -0.000000 }, "alias": "E", @@ -5984,7 +5984,7 @@ "id": "94", "seqid": 95, "position": { - "x": 150.400009, + "x": 94.000000, "y": -0.000000 }, "alias": "E", @@ -5995,7 +5995,7 @@ "id": "95", "seqid": 96, "position": { - "x": 152.000000, + "x": 95.000000, "y": -0.000000 }, "alias": "E", @@ -6006,7 +6006,7 @@ "id": "96", "seqid": 97, "position": { - "x": 153.600006, + "x": 96.000000, "y": -0.000000 }, "alias": "E", @@ -6017,7 +6017,7 @@ "id": "97", "seqid": 98, "position": { - "x": 155.199997, + "x": 97.000000, "y": -0.000000 }, "alias": "E", @@ -6028,7 +6028,7 @@ "id": "98", "seqid": 99, "position": { - "x": 156.800003, + "x": 98.000000, "y": -0.000000 }, "alias": "E", @@ -6039,7 +6039,7 @@ "id": "99", "seqid": 100, "position": { - "x": 158.400009, + "x": 99.000000, "y": -0.000000 }, "alias": "S", @@ -6050,7 +6050,7 @@ "id": "100", "seqid": 101, "position": { - "x": 160.000000, + "x": 100.000000, "y": -0.000000 }, "alias": "S", @@ -6061,7 +6061,7 @@ "id": "101", "seqid": 102, "position": { - "x": 161.600006, + "x": 101.000000, "y": -0.000000 }, "alias": "V", @@ -6072,7 +6072,7 @@ "id": "102", "seqid": 103, "position": { - "x": 163.199997, + "x": 102.000000, "y": -0.000000 }, "alias": "D", @@ -6083,7 +6083,7 @@ "id": "103", "seqid": 104, "position": { - "x": 164.800003, + "x": 103.000000, "y": -0.000000 }, "alias": "G", @@ -6094,7 +6094,7 @@ "id": "104", "seqid": 105, "position": { - "x": 166.400009, + "x": 104.000000, "y": -0.000000 }, "alias": "K", @@ -6105,7 +6105,7 @@ "id": "105", "seqid": 106, "position": { - "x": 168.000000, + "x": 105.000000, "y": -0.000000 }, "alias": "G", @@ -6116,7 +6116,7 @@ "id": "106", "seqid": 107, "position": { - "x": 169.600006, + "x": 106.000000, "y": -0.000000 }, "alias": "D", @@ -6127,7 +6127,7 @@ "id": "107", "seqid": 108, "position": { - "x": 171.199997, + "x": 107.000000, "y": -0.000000 }, "alias": "R", @@ -6138,7 +6138,7 @@ "id": "108", "seqid": 109, "position": { - "x": 172.800003, + "x": 108.000000, "y": -0.000000 }, "alias": "K", @@ -6149,7 +6149,7 @@ "id": "109", "seqid": 110, "position": { - "x": 174.400009, + "x": 109.000000, "y": -0.000000 }, "alias": "S", @@ -6160,7 +6160,7 @@ "id": "110", "seqid": 111, "position": { - "x": 176.000000, + "x": 110.000000, "y": -0.000000 }, "alias": "T", @@ -6171,7 +6171,7 @@ "id": "111", "seqid": 112, "position": { - "x": 177.600006, + "x": 111.000000, "y": -0.000000 }, "alias": "G", @@ -6182,7 +6182,7 @@ "id": "112", "seqid": 113, "position": { - "x": 179.199997, + "x": 112.000000, "y": -0.000000 }, "alias": "L", @@ -6193,7 +6193,7 @@ "id": "113", "seqid": 114, "position": { - "x": 180.800003, + "x": 113.000000, "y": -0.000000 }, "alias": "K", @@ -6204,7 +6204,7 @@ "id": "114", "seqid": 115, "position": { - "x": 182.400009, + "x": 114.000000, "y": -0.000000 }, "alias": "L", @@ -6215,7 +6215,7 @@ "id": "115", "seqid": 116, "position": { - "x": 184.000000, + "x": 115.000000, "y": -0.000000 }, "alias": "S", @@ -6226,7 +6226,7 @@ "id": "116", "seqid": 117, "position": { - "x": 185.600006, + "x": 116.000000, "y": -0.000000 }, "alias": "K", @@ -6237,7 +6237,7 @@ "id": "117", "seqid": 118, "position": { - "x": 187.199997, + "x": 117.000000, "y": -0.000000 }, "alias": "K", @@ -6248,7 +6248,7 @@ "id": "118", "seqid": 119, "position": { - "x": 188.800003, + "x": 118.000000, "y": -0.000000 }, "alias": "K", @@ -6259,7 +6259,7 @@ "id": "119", "seqid": 120, "position": { - "x": 190.400009, + "x": 119.000000, "y": -0.000000 }, "alias": "A", @@ -6270,7 +6270,7 @@ "id": "120", "seqid": 121, "position": { - "x": 192.000000, + "x": 120.000000, "y": -0.000000 }, "alias": "R", @@ -6281,7 +6281,7 @@ "id": "121", "seqid": 122, "position": { - "x": 193.600006, + "x": 121.000000, "y": -0.000000 }, "alias": "R", @@ -6292,7 +6292,7 @@ "id": "122", "seqid": 123, "position": { - "x": 195.199997, + "x": 122.000000, "y": -0.000000 }, "alias": "R", @@ -6303,7 +6303,7 @@ "id": "123", "seqid": 124, "position": { - "x": 196.800003, + "x": 123.000000, "y": -0.000000 }, "alias": "H", @@ -6314,7 +6314,7 @@ "id": "124", "seqid": 125, "position": { - "x": 198.400009, + "x": 124.000000, "y": -0.000000 }, "alias": "T", @@ -6325,7 +6325,7 @@ "id": "125", "seqid": 126, "position": { - "x": 200.000000, + "x": 125.000000, "y": -0.000000 }, "alias": "D", @@ -6336,7 +6336,7 @@ "id": "126", "seqid": 127, "position": { - "x": 201.600006, + "x": 126.000000, "y": -0.000000 }, "alias": "D", @@ -6347,7 +6347,7 @@ "id": "127", "seqid": 128, "position": { - "x": 203.199997, + "x": 127.000000, "y": -0.000000 }, "alias": "P", @@ -6358,7 +6358,7 @@ "id": "128", "seqid": 129, "position": { - "x": 204.800003, + "x": 128.000000, "y": -0.000000 }, "alias": "S", @@ -6369,7 +6369,7 @@ "id": "129", "seqid": 130, "position": { - "x": 206.400009, + "x": 129.000000, "y": -0.000000 }, "alias": "K", @@ -6380,7 +6380,7 @@ "id": "130", "seqid": 131, "position": { - "x": 208.000000, + "x": 130.000000, "y": -0.000000 }, "alias": "E", @@ -6391,7 +6391,7 @@ "id": "131", "seqid": 132, "position": { - "x": 209.600006, + "x": 131.000000, "y": -0.000000 }, "alias": "C", @@ -6402,7 +6402,7 @@ "id": "132", "seqid": 133, "position": { - "x": 211.199997, + "x": 132.000000, "y": -0.000000 }, "alias": "F", @@ -6413,7 +6413,7 @@ "id": "133", "seqid": 134, "position": { - "x": 212.800003, + "x": 133.000000, "y": -0.000000 }, "alias": "T", @@ -6424,7 +6424,7 @@ "id": "134", "seqid": 135, "position": { - "x": 214.400009, + "x": 134.000000, "y": -0.000000 }, "alias": "L", @@ -6435,7 +6435,7 @@ "id": "135", "seqid": 136, "position": { - "x": 216.000000, + "x": 135.000000, "y": -0.000000 }, "alias": "K", @@ -6446,7 +6446,7 @@ "id": "136", "seqid": 137, "position": { - "x": 217.600006, + "x": 136.000000, "y": -0.000000 }, "alias": "F", @@ -6457,7 +6457,7 @@ "id": "137", "seqid": 138, "position": { - "x": 219.199997, + "x": 137.000000, "y": -0.000000 }, "alias": "D", @@ -6468,7 +6468,7 @@ "id": "138", "seqid": 139, "position": { - "x": 220.800003, + "x": 138.000000, "y": -0.000000 }, "alias": "L", @@ -6479,7 +6479,7 @@ "id": "139", "seqid": 140, "position": { - "x": 222.400009, + "x": 139.000000, "y": -0.000000 }, "alias": "N", @@ -6490,7 +6490,7 @@ "id": "140", "seqid": 141, "position": { - "x": 224.000000, + "x": 140.000000, "y": -0.000000 }, "alias": "V", @@ -6501,7 +6501,7 @@ "id": "141", "seqid": 142, "position": { - "x": 225.600006, + "x": 141.000000, "y": -0.000000 }, "alias": "D", @@ -6512,7 +6512,7 @@ "id": "142", "seqid": 143, "position": { - "x": 227.199997, + "x": 142.000000, "y": -0.000000 }, "alias": "I", @@ -6523,7 +6523,7 @@ "id": "143", "seqid": 144, "position": { - "x": 228.800003, + "x": 143.000000, "y": -0.000000 }, "alias": "E", @@ -6534,7 +6534,7 @@ "id": "144", "seqid": 145, "position": { - "x": 230.400009, + "x": 144.000000, "y": -0.000000 }, "alias": "T", @@ -6545,7 +6545,7 @@ "id": "145", "seqid": 146, "position": { - "x": 232.000000, + "x": 145.000000, "y": -0.000000 }, "alias": "E", @@ -6556,7 +6556,7 @@ "id": "146", "seqid": 147, "position": { - "x": 233.600006, + "x": 146.000000, "y": -0.000000 }, "alias": "I", @@ -6567,7 +6567,7 @@ "id": "147", "seqid": 148, "position": { - "x": 235.199997, + "x": 147.000000, "y": -0.000000 }, "alias": "V", @@ -6578,7 +6578,7 @@ "id": "148", "seqid": 149, "position": { - "x": 236.800003, + "x": 148.000000, "y": -0.000000 }, "alias": "P", @@ -6589,7 +6589,7 @@ "id": "149", "seqid": 150, "position": { - "x": 238.400009, + "x": 149.000000, "y": -0.000000 }, "alias": "A", @@ -6600,7 +6600,7 @@ "id": "150", "seqid": 151, "position": { - "x": 240.000000, + "x": 150.000000, "y": -0.000000 }, "alias": "M", @@ -6611,7 +6611,7 @@ "id": "151", "seqid": 152, "position": { - "x": 241.600006, + "x": 151.000000, "y": -0.000000 }, "alias": "K", @@ -6622,7 +6622,7 @@ "id": "152", "seqid": 153, "position": { - "x": 243.199997, + "x": 152.000000, "y": -0.000000 }, "alias": "K", @@ -6633,7 +6633,7 @@ "id": "153", "seqid": 154, "position": { - "x": 244.800003, + "x": 153.000000, "y": -0.000000 }, "alias": "K", @@ -6644,7 +6644,7 @@ "id": "154", "seqid": 155, "position": { - "x": 246.400009, + "x": 154.000000, "y": -0.000000 }, "alias": "S", @@ -6655,7 +6655,7 @@ "id": "155", "seqid": 156, "position": { - "x": 248.000000, + "x": 155.000000, "y": -0.000000 }, "alias": "L", @@ -6666,7 +6666,7 @@ "id": "156", "seqid": 157, "position": { - "x": 249.600006, + "x": 156.000000, "y": -0.000000 }, "alias": "G", @@ -6677,7 +6677,7 @@ "id": "157", "seqid": 158, "position": { - "x": 251.199997, + "x": 157.000000, "y": -0.000000 }, "alias": "E", @@ -6688,7 +6688,7 @@ "id": "158", "seqid": 159, "position": { - "x": 252.800003, + "x": 158.000000, "y": -0.000000 }, "alias": "V", @@ -6699,7 +6699,7 @@ "id": "159", "seqid": 160, "position": { - "x": 254.400009, + "x": 159.000000, "y": -0.000000 }, "alias": "L", @@ -6710,7 +6710,7 @@ "id": "160", "seqid": 161, "position": { - "x": 256.000000, + "x": 160.000000, "y": -0.000000 }, "alias": "L", @@ -6721,7 +6721,7 @@ "id": "161", "seqid": 162, "position": { - "x": 257.600006, + "x": 161.000000, "y": -0.000000 }, "alias": "P", @@ -6732,7 +6732,7 @@ "id": "162", "seqid": 163, "position": { - "x": 259.200012, + "x": 162.000000, "y": -0.000000 }, "alias": "V", @@ -6743,7 +6743,7 @@ "id": "163", "seqid": 164, "position": { - "x": 260.800018, + "x": 163.000000, "y": -0.000000 }, "alias": "F", @@ -6754,7 +6754,7 @@ "id": "164", "seqid": 165, "position": { - "x": 262.399994, + "x": 164.000000, "y": -0.000000 }, "alias": "E", @@ -6765,7 +6765,7 @@ "id": "165", "seqid": 166, "position": { - "x": 264.000000, + "x": 165.000000, "y": -0.000000 }, "alias": "R", @@ -6776,7 +6776,7 @@ "id": "166", "seqid": 167, "position": { - "x": 265.600006, + "x": 166.000000, "y": -0.000000 }, "alias": "K", @@ -6787,7 +6787,7 @@ "id": "167", "seqid": 168, "position": { - "x": 267.200012, + "x": 167.000000, "y": -0.000000 }, "alias": "G", @@ -6798,7 +6798,7 @@ "id": "168", "seqid": 169, "position": { - "x": 268.800018, + "x": 168.000000, "y": -0.000000 }, "alias": "I", @@ -6809,7 +6809,7 @@ "id": "169", "seqid": 170, "position": { - "x": 270.399994, + "x": 169.000000, "y": -0.000000 }, "alias": "A", @@ -6820,7 +6820,7 @@ "id": "170", "seqid": 171, "position": { - "x": 272.000000, + "x": 170.000000, "y": -0.000000 }, "alias": "L", @@ -6831,7 +6831,7 @@ "id": "171", "seqid": 172, "position": { - "x": 273.600006, + "x": 171.000000, "y": -0.000000 }, "alias": "G", @@ -6842,7 +6842,7 @@ "id": "172", "seqid": 173, "position": { - "x": 275.200012, + "x": 172.000000, "y": -0.000000 }, "alias": "K", @@ -6853,7 +6853,7 @@ "id": "173", "seqid": 174, "position": { - "x": 276.800018, + "x": 173.000000, "y": -0.000000 }, "alias": "V", @@ -6864,7 +6864,7 @@ "id": "174", "seqid": 175, "position": { - "x": 278.399994, + "x": 174.000000, "y": -0.000000 }, "alias": "D", @@ -6875,7 +6875,7 @@ "id": "175", "seqid": 176, "position": { - "x": 280.000000, + "x": 175.000000, "y": -0.000000 }, "alias": "I", @@ -6886,7 +6886,7 @@ "id": "176", "seqid": 177, "position": { - "x": 281.600006, + "x": 176.000000, "y": -0.000000 }, "alias": "Y", @@ -6897,7 +6897,7 @@ "id": "177", "seqid": 178, "position": { - "x": 283.200012, + "x": 177.000000, "y": -0.000000 }, "alias": "L", @@ -6908,7 +6908,7 @@ "id": "178", "seqid": 179, "position": { - "x": 284.800018, + "x": 178.000000, "y": -0.000000 }, "alias": "D", @@ -6919,7 +6919,7 @@ "id": "179", "seqid": 180, "position": { - "x": 286.399994, + "x": 179.000000, "y": -0.000000 }, "alias": "Q", @@ -6930,7 +6930,7 @@ "id": "180", "seqid": 181, "position": { - "x": 288.000000, + "x": 180.000000, "y": -0.000000 }, "alias": "S", @@ -6941,7 +6941,7 @@ "id": "181", "seqid": 182, "position": { - "x": 289.600006, + "x": 181.000000, "y": -0.000000 }, "alias": "N", @@ -6952,7 +6952,7 @@ "id": "182", "seqid": 183, "position": { - "x": 291.200012, + "x": 182.000000, "y": -0.000000 }, "alias": "T", @@ -6964,7 +6964,7 @@ "seqid": 1, "position": { "x": 0.000000, - "y": -1.600000 + "y": -1.000000 }, "alias": "P", "templateId": "P___Proline" @@ -6974,8 +6974,8 @@ "id": "184", "seqid": 2, "position": { - "x": 1.600000, - "y": -1.600000 + "x": 1.000000, + "y": -1.000000 }, "alias": "L", "templateId": "L___Leucine" @@ -6985,8 +6985,8 @@ "id": "185", "seqid": 3, "position": { - "x": 3.200000, - "y": -1.600000 + "x": 2.000000, + "y": -1.000000 }, "alias": "S", "templateId": "S___Serine" @@ -6996,8 +6996,8 @@ "id": "186", "seqid": 4, "position": { - "x": 4.800000, - "y": -1.600000 + "x": 3.000000, + "y": -1.000000 }, "alias": "L", "templateId": "L___Leucine" @@ -7007,8 +7007,8 @@ "id": "187", "seqid": 5, "position": { - "x": 6.400000, - "y": -1.600000 + "x": 4.000000, + "y": -1.000000 }, "alias": "T", "templateId": "T___Threonine" @@ -7018,8 +7018,8 @@ "id": "188", "seqid": 6, "position": { - "x": 8.000000, - "y": -1.600000 + "x": 5.000000, + "y": -1.000000 }, "alias": "F", "templateId": "F___Phenylalanine" @@ -7029,8 +7029,8 @@ "id": "189", "seqid": 7, "position": { - "x": 9.600000, - "y": -1.600000 + "x": 6.000000, + "y": -1.000000 }, "alias": "E", "templateId": "E___Glutamic acid" @@ -7040,8 +7040,8 @@ "id": "190", "seqid": 8, "position": { - "x": 11.200000, - "y": -1.600000 + "x": 7.000000, + "y": -1.000000 }, "alias": "A", "templateId": "A___Alanine" @@ -7051,8 +7051,8 @@ "id": "191", "seqid": 9, "position": { - "x": 12.800000, - "y": -1.600000 + "x": 8.000000, + "y": -1.000000 }, "alias": "Y", "templateId": "Y___Tyrosine" @@ -7062,8 +7062,8 @@ "id": "192", "seqid": 10, "position": { - "x": 14.400001, - "y": -1.600000 + "x": 9.000000, + "y": -1.000000 }, "alias": "R", "templateId": "R___Arginine" @@ -7073,8 +7073,8 @@ "id": "193", "seqid": 11, "position": { - "x": 16.000000, - "y": -1.600000 + "x": 10.000000, + "y": -1.000000 }, "alias": "F", "templateId": "F___Phenylalanine" @@ -7084,8 +7084,8 @@ "id": "194", "seqid": 12, "position": { - "x": 17.600000, - "y": -1.600000 + "x": 11.000000, + "y": -1.000000 }, "alias": "G", "templateId": "G___Glycine" @@ -7095,8 +7095,8 @@ "id": "195", "seqid": 13, "position": { - "x": 19.200001, - "y": -1.600000 + "x": 12.000000, + "y": -1.000000 }, "alias": "G", "templateId": "G___Glycine" @@ -7106,8 +7106,8 @@ "id": "196", "seqid": 14, "position": { - "x": 20.800001, - "y": -1.600000 + "x": 13.000000, + "y": -1.000000 }, "alias": "H", "templateId": "H___Histidine" @@ -7117,8 +7117,8 @@ "id": "197", "seqid": 15, "position": { - "x": 22.400000, - "y": -1.600000 + "x": 14.000000, + "y": -1.000000 }, "alias": "Y", "templateId": "Y___Tyrosine" @@ -7128,8 +7128,8 @@ "id": "198", "seqid": 16, "position": { - "x": 24.000000, - "y": -1.600000 + "x": 15.000000, + "y": -1.000000 }, "alias": "L", "templateId": "L___Leucine" @@ -7139,8 +7139,8 @@ "id": "199", "seqid": 17, "position": { - "x": 25.600000, - "y": -1.600000 + "x": 16.000000, + "y": -1.000000 }, "alias": "R", "templateId": "R___Arginine" @@ -7150,8 +7150,8 @@ "id": "200", "seqid": 18, "position": { - "x": 27.200001, - "y": -1.600000 + "x": 17.000000, + "y": -1.000000 }, "alias": "V", "templateId": "V___Valine" @@ -7161,8 +7161,8 @@ "id": "201", "seqid": 19, "position": { - "x": 28.800001, - "y": -1.600000 + "x": 18.000000, + "y": -1.000000 }, "alias": "K", "templateId": "K___Lysine" @@ -7172,8 +7172,8 @@ "id": "202", "seqid": 20, "position": { - "x": 30.400000, - "y": -1.600000 + "x": 19.000000, + "y": -1.000000 }, "alias": "A", "templateId": "A___Alanine" @@ -7183,8 +7183,8 @@ "id": "203", "seqid": 21, "position": { - "x": 32.000000, - "y": -1.600000 + "x": 20.000000, + "y": -1.000000 }, "alias": "P", "templateId": "P___Proline" @@ -7194,8 +7194,8 @@ "id": "204", "seqid": 22, "position": { - "x": 33.600002, - "y": -1.600000 + "x": 21.000000, + "y": -1.000000 }, "alias": "A", "templateId": "A___Alanine" @@ -7205,8 +7205,8 @@ "id": "205", "seqid": 23, "position": { - "x": 35.200001, - "y": -1.600000 + "x": 22.000000, + "y": -1.000000 }, "alias": "K", "templateId": "K___Lysine" @@ -7216,8 +7216,8 @@ "id": "206", "seqid": 24, "position": { - "x": 36.799999, - "y": -1.600000 + "x": 23.000000, + "y": -1.000000 }, "alias": "P", "templateId": "P___Proline" @@ -7227,8 +7227,8 @@ "id": "207", "seqid": 25, "position": { - "x": 38.400002, - "y": -1.600000 + "x": 24.000000, + "y": -1.000000 }, "alias": "G", "templateId": "G___Glycine" @@ -7238,8 +7238,8 @@ "id": "208", "seqid": 26, "position": { - "x": 40.000000, - "y": -1.600000 + "x": 25.000000, + "y": -1.000000 }, "alias": "D", "templateId": "D___Aspartic acid" @@ -7249,8 +7249,8 @@ "id": "209", "seqid": 27, "position": { - "x": 41.600002, - "y": -1.600000 + "x": 26.000000, + "y": -1.000000 }, "alias": "E", "templateId": "E___Glutamic acid" @@ -7260,8 +7260,8 @@ "id": "210", "seqid": 28, "position": { - "x": 43.200001, - "y": -1.600000 + "x": 27.000000, + "y": -1.000000 }, "alias": "G", "templateId": "G___Glycine" @@ -7271,8 +7271,8 @@ "id": "211", "seqid": 29, "position": { - "x": 44.799999, - "y": -1.600000 + "x": 28.000000, + "y": -1.000000 }, "alias": "K", "templateId": "K___Lysine" @@ -7282,8 +7282,8 @@ "id": "212", "seqid": 30, "position": { - "x": 46.400002, - "y": -1.600000 + "x": 29.000000, + "y": -1.000000 }, "alias": "V", "templateId": "V___Valine" @@ -7293,8 +7293,8 @@ "id": "213", "seqid": 31, "position": { - "x": 48.000000, - "y": -1.600000 + "x": 30.000000, + "y": -1.000000 }, "alias": "E", "templateId": "E___Glutamic acid" @@ -7304,8 +7304,8 @@ "id": "214", "seqid": 32, "position": { - "x": 49.600002, - "y": -1.600000 + "x": 31.000000, + "y": -1.000000 }, "alias": "Q", "templateId": "Q___Glutamine" @@ -7315,8 +7315,8 @@ "id": "215", "seqid": 33, "position": { - "x": 51.200001, - "y": -1.600000 + "x": 32.000000, + "y": -1.000000 }, "alias": "G", "templateId": "G___Glycine" @@ -7326,8 +7326,8 @@ "id": "216", "seqid": 34, "position": { - "x": 52.799999, - "y": -1.600000 + "x": 33.000000, + "y": -1.000000 }, "alias": "M", "templateId": "M___Methionine" @@ -7337,8 +7337,8 @@ "id": "217", "seqid": 35, "position": { - "x": 54.400002, - "y": -1.600000 + "x": 34.000000, + "y": -1.000000 }, "alias": "K", "templateId": "K___Lysine" @@ -7348,8 +7348,8 @@ "id": "218", "seqid": 36, "position": { - "x": 56.000000, - "y": -1.600000 + "x": 35.000000, + "y": -1.000000 }, "alias": "D", "templateId": "D___Aspartic acid" @@ -7359,8 +7359,8 @@ "id": "219", "seqid": 37, "position": { - "x": 57.600002, - "y": -1.600000 + "x": 36.000000, + "y": -1.000000 }, "alias": "S", "templateId": "S___Serine" @@ -7370,8 +7370,8 @@ "id": "220", "seqid": 38, "position": { - "x": 59.200001, - "y": -1.600000 + "x": 37.000000, + "y": -1.000000 }, "alias": "K", "templateId": "K___Lysine" @@ -7381,8 +7381,8 @@ "id": "221", "seqid": 39, "position": { - "x": 60.799999, - "y": -1.600000 + "x": 38.000000, + "y": -1.000000 }, "alias": "S", "templateId": "S___Serine" @@ -7392,8 +7392,8 @@ "id": "222", "seqid": 40, "position": { - "x": 62.400002, - "y": -1.600000 + "x": 39.000000, + "y": -1.000000 }, "alias": "L", "templateId": "L___Leucine" @@ -7403,8 +7403,8 @@ "id": "223", "seqid": 41, "position": { - "x": 64.000000, - "y": -1.600000 + "x": 40.000000, + "y": -1.000000 }, "alias": "S", "templateId": "S___Serine" @@ -7414,8 +7414,8 @@ "id": "224", "seqid": 42, "position": { - "x": 65.599998, - "y": -1.600000 + "x": 41.000000, + "y": -1.000000 }, "alias": "L", "templateId": "L___Leucine" @@ -7425,8 +7425,8 @@ "id": "225", "seqid": 43, "position": { - "x": 67.200005, - "y": -1.600000 + "x": 42.000000, + "y": -1.000000 }, "alias": "P", "templateId": "P___Proline" @@ -7436,8 +7436,8 @@ "id": "226", "seqid": 44, "position": { - "x": 68.800003, - "y": -1.600000 + "x": 43.000000, + "y": -1.000000 }, "alias": "I", "templateId": "I___Isoleucine" @@ -7447,8 +7447,8 @@ "id": "227", "seqid": 45, "position": { - "x": 70.400002, - "y": -1.600000 + "x": 44.000000, + "y": -1.000000 }, "alias": "L", "templateId": "L___Leucine" @@ -7458,8 +7458,8 @@ "id": "228", "seqid": 46, "position": { - "x": 72.000000, - "y": -1.600000 + "x": 45.000000, + "y": -1.000000 }, "alias": "R", "templateId": "R___Arginine" @@ -7469,8 +7469,8 @@ "id": "229", "seqid": 47, "position": { - "x": 73.599998, - "y": -1.600000 + "x": 46.000000, + "y": -1.000000 }, "alias": "P", "templateId": "P___Proline" @@ -7480,8 +7480,8 @@ "id": "230", "seqid": 48, "position": { - "x": 75.200005, - "y": -1.600000 + "x": 47.000000, + "y": -1.000000 }, "alias": "A", "templateId": "A___Alanine" @@ -7491,8 +7491,8 @@ "id": "231", "seqid": 49, "position": { - "x": 76.800003, - "y": -1.600000 + "x": 48.000000, + "y": -1.000000 }, "alias": "G", "templateId": "G___Glycine" @@ -7502,8 +7502,8 @@ "id": "232", "seqid": 50, "position": { - "x": 78.400002, - "y": -1.600000 + "x": 49.000000, + "y": -1.000000 }, "alias": "T", "templateId": "T___Threonine" @@ -7513,8 +7513,8 @@ "id": "233", "seqid": 51, "position": { - "x": 80.000000, - "y": -1.600000 + "x": 50.000000, + "y": -1.000000 }, "alias": "G", "templateId": "G___Glycine" @@ -7524,8 +7524,8 @@ "id": "234", "seqid": 52, "position": { - "x": 81.599998, - "y": -1.600000 + "x": 51.000000, + "y": -1.000000 }, "alias": "P", "templateId": "P___Proline" @@ -7535,8 +7535,8 @@ "id": "235", "seqid": 53, "position": { - "x": 83.200005, - "y": -1.600000 + "x": 52.000000, + "y": -1.000000 }, "alias": "P", "templateId": "P___Proline" @@ -7546,8 +7546,8 @@ "id": "236", "seqid": 54, "position": { - "x": 84.800003, - "y": -1.600000 + "x": 53.000000, + "y": -1.000000 }, "alias": "A", "templateId": "A___Alanine" @@ -7557,8 +7557,8 @@ "id": "237", "seqid": 55, "position": { - "x": 86.400002, - "y": -1.600000 + "x": 54.000000, + "y": -1.000000 }, "alias": "L", "templateId": "L___Leucine" @@ -7568,8 +7568,8 @@ "id": "238", "seqid": 56, "position": { - "x": 88.000000, - "y": -1.600000 + "x": 55.000000, + "y": -1.000000 }, "alias": "E", "templateId": "E___Glutamic acid" @@ -7579,8 +7579,8 @@ "id": "239", "seqid": 57, "position": { - "x": 89.599998, - "y": -1.600000 + "x": 56.000000, + "y": -1.000000 }, "alias": "R", "templateId": "R___Arginine" @@ -7590,8 +7590,8 @@ "id": "240", "seqid": 58, "position": { - "x": 91.200005, - "y": -1.600000 + "x": 57.000000, + "y": -1.000000 }, "alias": "V", "templateId": "V___Valine" @@ -7601,8 +7601,8 @@ "id": "241", "seqid": 59, "position": { - "x": 92.800003, - "y": -1.600000 + "x": 58.000000, + "y": -1.000000 }, "alias": "D", "templateId": "D___Aspartic acid" @@ -7612,8 +7612,8 @@ "id": "242", "seqid": 60, "position": { - "x": 94.400002, - "y": -1.600000 + "x": 59.000000, + "y": -1.000000 }, "alias": "A", "templateId": "A___Alanine" @@ -7623,8 +7623,8 @@ "id": "243", "seqid": 61, "position": { - "x": 96.000000, - "y": -1.600000 + "x": 60.000000, + "y": -1.000000 }, "alias": "Q", "templateId": "Q___Glutamine" @@ -7634,8 +7634,8 @@ "id": "244", "seqid": 62, "position": { - "x": 97.599998, - "y": -1.600000 + "x": 61.000000, + "y": -1.000000 }, "alias": "S", "templateId": "S___Serine" @@ -7645,8 +7645,8 @@ "id": "245", "seqid": 63, "position": { - "x": 99.200005, - "y": -1.600000 + "x": 62.000000, + "y": -1.000000 }, "alias": "R", "templateId": "R___Arginine" @@ -7656,8 +7656,8 @@ "id": "246", "seqid": 64, "position": { - "x": 100.800003, - "y": -1.600000 + "x": 63.000000, + "y": -1.000000 }, "alias": "R", "templateId": "R___Arginine" @@ -7667,8 +7667,8 @@ "id": "247", "seqid": 65, "position": { - "x": 102.400002, - "y": -1.600000 + "x": 64.000000, + "y": -1.000000 }, "alias": "E", "templateId": "E___Glutamic acid" @@ -7678,8 +7678,8 @@ "id": "248", "seqid": 66, "position": { - "x": 104.000000, - "y": -1.600000 + "x": 65.000000, + "y": -1.000000 }, "alias": "S", "templateId": "S___Serine" @@ -7689,8 +7689,8 @@ "id": "249", "seqid": 67, "position": { - "x": 105.599998, - "y": -1.600000 + "x": 66.000000, + "y": -1.000000 }, "alias": "L", "templateId": "L___Leucine" @@ -7700,8 +7700,8 @@ "id": "250", "seqid": 68, "position": { - "x": 107.200005, - "y": -1.600000 + "x": 67.000000, + "y": -1.000000 }, "alias": "D", "templateId": "D___Aspartic acid" @@ -7711,8 +7711,8 @@ "id": "251", "seqid": 69, "position": { - "x": 108.800003, - "y": -1.600000 + "x": 68.000000, + "y": -1.000000 }, "alias": "I", "templateId": "I___Isoleucine" @@ -7722,8 +7722,8 @@ "id": "252", "seqid": 70, "position": { - "x": 110.400002, - "y": -1.600000 + "x": 69.000000, + "y": -1.000000 }, "alias": "L", "templateId": "L___Leucine" @@ -7733,8 +7733,8 @@ "id": "253", "seqid": 71, "position": { - "x": 112.000000, - "y": -1.600000 + "x": 70.000000, + "y": -1.000000 }, "alias": "A", "templateId": "A___Alanine" @@ -7744,8 +7744,8 @@ "id": "254", "seqid": 72, "position": { - "x": 113.599998, - "y": -1.600000 + "x": 71.000000, + "y": -1.000000 }, "alias": "P", "templateId": "P___Proline" @@ -7755,8 +7755,8 @@ "id": "255", "seqid": 73, "position": { - "x": 115.200005, - "y": -1.600000 + "x": 72.000000, + "y": -1.000000 }, "alias": "G", "templateId": "G___Glycine" @@ -7766,8 +7766,8 @@ "id": "256", "seqid": 74, "position": { - "x": 116.800003, - "y": -1.600000 + "x": 73.000000, + "y": -1.000000 }, "alias": "R", "templateId": "R___Arginine" @@ -7777,8 +7777,8 @@ "id": "257", "seqid": 75, "position": { - "x": 118.400002, - "y": -1.600000 + "x": 74.000000, + "y": -1.000000 }, "alias": "R", "templateId": "R___Arginine" @@ -7788,8 +7788,8 @@ "id": "258", "seqid": 76, "position": { - "x": 120.000000, - "y": -1.600000 + "x": 75.000000, + "y": -1.000000 }, "alias": "R", "templateId": "R___Arginine" @@ -7799,8 +7799,8 @@ "id": "259", "seqid": 77, "position": { - "x": 121.599998, - "y": -1.600000 + "x": 76.000000, + "y": -1.000000 }, "alias": "K", "templateId": "K___Lysine" @@ -7810,8 +7810,8 @@ "id": "260", "seqid": 78, "position": { - "x": 123.200005, - "y": -1.600000 + "x": 77.000000, + "y": -1.000000 }, "alias": "N", "templateId": "N___Asparagine" @@ -7821,8 +7821,8 @@ "id": "261", "seqid": 79, "position": { - "x": 124.800003, - "y": -1.600000 + "x": 78.000000, + "y": -1.000000 }, "alias": "M", "templateId": "M___Methionine" @@ -7832,8 +7832,8 @@ "id": "262", "seqid": 80, "position": { - "x": 126.400002, - "y": -1.600000 + "x": 79.000000, + "y": -1.000000 }, "alias": "S", "templateId": "S___Serine" @@ -7843,8 +7843,8 @@ "id": "263", "seqid": 81, "position": { - "x": 128.000000, - "y": -1.600000 + "x": 80.000000, + "y": -1.000000 }, "alias": "E", "templateId": "E___Glutamic acid" @@ -7854,8 +7854,8 @@ "id": "264", "seqid": 82, "position": { - "x": 129.600006, - "y": -1.600000 + "x": 81.000000, + "y": -1.000000 }, "alias": "F", "templateId": "F___Phenylalanine" @@ -7865,8 +7865,8 @@ "id": "265", "seqid": 83, "position": { - "x": 131.199997, - "y": -1.600000 + "x": 82.000000, + "y": -1.000000 }, "alias": "L", "templateId": "L___Leucine" @@ -7876,8 +7876,8 @@ "id": "266", "seqid": 84, "position": { - "x": 132.800003, - "y": -1.600000 + "x": 83.000000, + "y": -1.000000 }, "alias": "G", "templateId": "G___Glycine" @@ -7887,8 +7887,8 @@ "id": "267", "seqid": 85, "position": { - "x": 134.400009, - "y": -1.600000 + "x": 84.000000, + "y": -1.000000 }, "alias": "E", "templateId": "E___Glutamic acid" @@ -7898,8 +7898,8 @@ "id": "268", "seqid": 86, "position": { - "x": 136.000000, - "y": -1.600000 + "x": 85.000000, + "y": -1.000000 }, "alias": "A", "templateId": "A___Alanine" @@ -7909,8 +7909,8 @@ "id": "269", "seqid": 87, "position": { - "x": 137.600006, - "y": -1.600000 + "x": 86.000000, + "y": -1.000000 }, "alias": "S", "templateId": "S___Serine" @@ -7920,8 +7920,8 @@ "id": "270", "seqid": 88, "position": { - "x": 139.199997, - "y": -1.600000 + "x": 87.000000, + "y": -1.000000 }, "alias": "I", "templateId": "I___Isoleucine" @@ -7931,8 +7931,8 @@ "id": "271", "seqid": 89, "position": { - "x": 140.800003, - "y": -1.600000 + "x": 88.000000, + "y": -1.000000 }, "alias": "P", "templateId": "P___Proline" @@ -7942,8 +7942,8 @@ "id": "272", "seqid": 90, "position": { - "x": 142.400009, - "y": -1.600000 + "x": 89.000000, + "y": -1.000000 }, "alias": "G", "templateId": "G___Glycine" @@ -7953,8 +7953,8 @@ "id": "273", "seqid": 91, "position": { - "x": 144.000000, - "y": -1.600000 + "x": 90.000000, + "y": -1.000000 }, "alias": "Q", "templateId": "Q___Glutamine" @@ -7964,8 +7964,8 @@ "id": "274", "seqid": 92, "position": { - "x": 145.600006, - "y": -1.600000 + "x": 91.000000, + "y": -1.000000 }, "alias": "E", "templateId": "E___Glutamic acid" @@ -7975,8 +7975,8 @@ "id": "275", "seqid": 93, "position": { - "x": 147.199997, - "y": -1.600000 + "x": 92.000000, + "y": -1.000000 }, "alias": "P", "templateId": "P___Proline" @@ -7986,8 +7986,8 @@ "id": "276", "seqid": 94, "position": { - "x": 148.800003, - "y": -1.600000 + "x": 93.000000, + "y": -1.000000 }, "alias": "P", "templateId": "P___Proline" @@ -7997,8 +7997,8 @@ "id": "277", "seqid": 95, "position": { - "x": 150.400009, - "y": -1.600000 + "x": 94.000000, + "y": -1.000000 }, "alias": "T", "templateId": "T___Threonine" @@ -8008,8 +8008,8 @@ "id": "278", "seqid": 96, "position": { - "x": 152.000000, - "y": -1.600000 + "x": 95.000000, + "y": -1.000000 }, "alias": "P", "templateId": "P___Proline" @@ -8019,8 +8019,8 @@ "id": "279", "seqid": 97, "position": { - "x": 153.600006, - "y": -1.600000 + "x": 96.000000, + "y": -1.000000 }, "alias": "S", "templateId": "S___Serine" @@ -8030,8 +8030,8 @@ "id": "280", "seqid": 98, "position": { - "x": 155.199997, - "y": -1.600000 + "x": 97.000000, + "y": -1.000000 }, "alias": "S", "templateId": "S___Serine" @@ -8041,8 +8041,8 @@ "id": "281", "seqid": 99, "position": { - "x": 156.800003, - "y": -1.600000 + "x": 98.000000, + "y": -1.000000 }, "alias": "C", "templateId": "C___Cysteine" @@ -8052,8 +8052,8 @@ "id": "282", "seqid": 100, "position": { - "x": 158.400009, - "y": -1.600000 + "x": 99.000000, + "y": -1.000000 }, "alias": "S", "templateId": "S___Serine" @@ -8063,8 +8063,8 @@ "id": "283", "seqid": 101, "position": { - "x": 160.000000, - "y": -1.600000 + "x": 100.000000, + "y": -1.000000 }, "alias": "L", "templateId": "L___Leucine" @@ -8074,8 +8074,8 @@ "id": "284", "seqid": 102, "position": { - "x": 161.600006, - "y": -1.600000 + "x": 101.000000, + "y": -1.000000 }, "alias": "P", "templateId": "P___Proline" @@ -8085,8 +8085,8 @@ "id": "285", "seqid": 103, "position": { - "x": 163.199997, - "y": -1.600000 + "x": 102.000000, + "y": -1.000000 }, "alias": "S", "templateId": "S___Serine" @@ -8096,8 +8096,8 @@ "id": "286", "seqid": 104, "position": { - "x": 164.800003, - "y": -1.600000 + "x": 103.000000, + "y": -1.000000 }, "alias": "G", "templateId": "G___Glycine" @@ -8107,8 +8107,8 @@ "id": "287", "seqid": 105, "position": { - "x": 166.400009, - "y": -1.600000 + "x": 104.000000, + "y": -1.000000 }, "alias": "S", "templateId": "S___Serine" @@ -8118,8 +8118,8 @@ "id": "288", "seqid": 106, "position": { - "x": 168.000000, - "y": -1.600000 + "x": 105.000000, + "y": -1.000000 }, "alias": "S", "templateId": "S___Serine" @@ -8129,8 +8129,8 @@ "id": "289", "seqid": 107, "position": { - "x": 169.600006, - "y": -1.600000 + "x": 106.000000, + "y": -1.000000 }, "alias": "G", "templateId": "G___Glycine" @@ -8140,8 +8140,8 @@ "id": "290", "seqid": 108, "position": { - "x": 171.199997, - "y": -1.600000 + "x": 107.000000, + "y": -1.000000 }, "alias": "S", "templateId": "S___Serine" @@ -8151,8 +8151,8 @@ "id": "291", "seqid": 109, "position": { - "x": 172.800003, - "y": -1.600000 + "x": 108.000000, + "y": -1.000000 }, "alias": "T", "templateId": "T___Threonine" @@ -8162,8 +8162,8 @@ "id": "292", "seqid": 110, "position": { - "x": 174.400009, - "y": -1.600000 + "x": 109.000000, + "y": -1.000000 }, "alias": "N", "templateId": "N___Asparagine" @@ -8173,8 +8173,8 @@ "id": "293", "seqid": 111, "position": { - "x": 176.000000, - "y": -1.600000 + "x": 110.000000, + "y": -1.000000 }, "alias": "T", "templateId": "T___Threonine" @@ -8184,8 +8184,8 @@ "id": "294", "seqid": 112, "position": { - "x": 177.600006, - "y": -1.600000 + "x": 111.000000, + "y": -1.000000 }, "alias": "G", "templateId": "G___Glycine" @@ -8195,8 +8195,8 @@ "id": "295", "seqid": 113, "position": { - "x": 179.199997, - "y": -1.600000 + "x": 112.000000, + "y": -1.000000 }, "alias": "D", "templateId": "D___Aspartic acid" @@ -8206,8 +8206,8 @@ "id": "296", "seqid": 114, "position": { - "x": 180.800003, - "y": -1.600000 + "x": 113.000000, + "y": -1.000000 }, "alias": "S", "templateId": "S___Serine" @@ -8217,8 +8217,8 @@ "id": "297", "seqid": 115, "position": { - "x": 182.400009, - "y": -1.600000 + "x": 114.000000, + "y": -1.000000 }, "alias": "W", "templateId": "W___Tryptophan" @@ -8228,8 +8228,8 @@ "id": "298", "seqid": 116, "position": { - "x": 184.000000, - "y": -1.600000 + "x": 115.000000, + "y": -1.000000 }, "alias": "K", "templateId": "K___Lysine" @@ -8239,8 +8239,8 @@ "id": "299", "seqid": 117, "position": { - "x": 185.600006, - "y": -1.600000 + "x": 116.000000, + "y": -1.000000 }, "alias": "N", "templateId": "N___Asparagine" @@ -8250,8 +8250,8 @@ "id": "300", "seqid": 118, "position": { - "x": 187.199997, - "y": -1.600000 + "x": 117.000000, + "y": -1.000000 }, "alias": "R", "templateId": "R___Arginine" @@ -8261,8 +8261,8 @@ "id": "301", "seqid": 119, "position": { - "x": 188.800003, - "y": -1.600000 + "x": 118.000000, + "y": -1.000000 }, "alias": "A", "templateId": "A___Alanine" @@ -8272,8 +8272,8 @@ "id": "302", "seqid": 120, "position": { - "x": 190.400009, - "y": -1.600000 + "x": 119.000000, + "y": -1.000000 }, "alias": "A", "templateId": "A___Alanine" @@ -8283,8 +8283,8 @@ "id": "303", "seqid": 121, "position": { - "x": 192.000000, - "y": -1.600000 + "x": 120.000000, + "y": -1.000000 }, "alias": "S", "templateId": "S___Serine" @@ -8294,8 +8294,8 @@ "id": "304", "seqid": 122, "position": { - "x": 193.600006, - "y": -1.600000 + "x": 121.000000, + "y": -1.000000 }, "alias": "R", "templateId": "R___Arginine" @@ -8305,8 +8305,8 @@ "id": "305", "seqid": 123, "position": { - "x": 195.199997, - "y": -1.600000 + "x": 122.000000, + "y": -1.000000 }, "alias": "F", "templateId": "F___Phenylalanine" @@ -8316,8 +8316,8 @@ "id": "306", "seqid": 124, "position": { - "x": 196.800003, - "y": -1.600000 + "x": 123.000000, + "y": -1.000000 }, "alias": "S", "templateId": "S___Serine" @@ -8327,8 +8327,8 @@ "id": "307", "seqid": 125, "position": { - "x": 198.400009, - "y": -1.600000 + "x": 124.000000, + "y": -1.000000 }, "alias": "G", "templateId": "G___Glycine" @@ -8338,8 +8338,8 @@ "id": "308", "seqid": 126, "position": { - "x": 200.000000, - "y": -1.600000 + "x": 125.000000, + "y": -1.000000 }, "alias": "F", "templateId": "F___Phenylalanine" @@ -8349,8 +8349,8 @@ "id": "309", "seqid": 127, "position": { - "x": 201.600006, - "y": -1.600000 + "x": 126.000000, + "y": -1.000000 }, "alias": "F", "templateId": "F___Phenylalanine" @@ -8360,8 +8360,8 @@ "id": "310", "seqid": 128, "position": { - "x": 203.199997, - "y": -1.600000 + "x": 127.000000, + "y": -1.000000 }, "alias": "S", "templateId": "S___Serine" @@ -8371,8 +8371,8 @@ "id": "311", "seqid": 129, "position": { - "x": 204.800003, - "y": -1.600000 + "x": 128.000000, + "y": -1.000000 }, "alias": "S", "templateId": "S___Serine" @@ -8382,8 +8382,8 @@ "id": "312", "seqid": 130, "position": { - "x": 206.400009, - "y": -1.600000 + "x": 129.000000, + "y": -1.000000 }, "alias": "G", "templateId": "G___Glycine" @@ -8393,8 +8393,8 @@ "id": "313", "seqid": 131, "position": { - "x": 208.000000, - "y": -1.600000 + "x": 130.000000, + "y": -1.000000 }, "alias": "P", "templateId": "P___Proline" @@ -8404,8 +8404,8 @@ "id": "314", "seqid": 132, "position": { - "x": 209.600006, - "y": -1.600000 + "x": 131.000000, + "y": -1.000000 }, "alias": "S", "templateId": "S___Serine" @@ -8415,8 +8415,8 @@ "id": "315", "seqid": 133, "position": { - "x": 211.199997, - "y": -1.600000 + "x": 132.000000, + "y": -1.000000 }, "alias": "T", "templateId": "T___Threonine" @@ -8426,8 +8426,8 @@ "id": "316", "seqid": 134, "position": { - "x": 212.800003, - "y": -1.600000 + "x": 133.000000, + "y": -1.000000 }, "alias": "S", "templateId": "S___Serine" @@ -8437,8 +8437,8 @@ "id": "317", "seqid": 135, "position": { - "x": 214.400009, - "y": -1.600000 + "x": 134.000000, + "y": -1.000000 }, "alias": "A", "templateId": "A___Alanine" @@ -8448,8 +8448,8 @@ "id": "318", "seqid": 136, "position": { - "x": 216.000000, - "y": -1.600000 + "x": 135.000000, + "y": -1.000000 }, "alias": "F", "templateId": "F___Phenylalanine" @@ -8459,8 +8459,8 @@ "id": "319", "seqid": 137, "position": { - "x": 217.600006, - "y": -1.600000 + "x": 136.000000, + "y": -1.000000 }, "alias": "G", "templateId": "G___Glycine" @@ -8470,8 +8470,8 @@ "id": "320", "seqid": 138, "position": { - "x": 219.199997, - "y": -1.600000 + "x": 137.000000, + "y": -1.000000 }, "alias": "R", "templateId": "R___Arginine" @@ -8481,8 +8481,8 @@ "id": "321", "seqid": 139, "position": { - "x": 220.800003, - "y": -1.600000 + "x": 138.000000, + "y": -1.000000 }, "alias": "E", "templateId": "E___Glutamic acid" @@ -8492,8 +8492,8 @@ "id": "322", "seqid": 140, "position": { - "x": 222.400009, - "y": -1.600000 + "x": 139.000000, + "y": -1.000000 }, "alias": "V", "templateId": "V___Valine" @@ -8503,8 +8503,8 @@ "id": "323", "seqid": 141, "position": { - "x": 224.000000, - "y": -1.600000 + "x": 140.000000, + "y": -1.000000 }, "alias": "D", "templateId": "D___Aspartic acid" @@ -8514,8 +8514,8 @@ "id": "324", "seqid": 142, "position": { - "x": 225.600006, - "y": -1.600000 + "x": 141.000000, + "y": -1.000000 }, "alias": "K", "templateId": "K___Lysine" @@ -8525,8 +8525,8 @@ "id": "325", "seqid": 143, "position": { - "x": 227.199997, - "y": -1.600000 + "x": 142.000000, + "y": -1.000000 }, "alias": "M", "templateId": "M___Methionine" @@ -8536,8 +8536,8 @@ "id": "326", "seqid": 144, "position": { - "x": 228.800003, - "y": -1.600000 + "x": 143.000000, + "y": -1.000000 }, "alias": "E", "templateId": "E___Glutamic acid" @@ -8547,8 +8547,8 @@ "id": "327", "seqid": 145, "position": { - "x": 230.400009, - "y": -1.600000 + "x": 144.000000, + "y": -1.000000 }, "alias": "Q", "templateId": "Q___Glutamine" @@ -8558,8 +8558,8 @@ "id": "328", "seqid": 146, "position": { - "x": 232.000000, - "y": -1.600000 + "x": 145.000000, + "y": -1.000000 }, "alias": "L", "templateId": "L___Leucine" @@ -8569,8 +8569,8 @@ "id": "329", "seqid": 147, "position": { - "x": 233.600006, - "y": -1.600000 + "x": 146.000000, + "y": -1.000000 }, "alias": "E", "templateId": "E___Glutamic acid" @@ -8580,8 +8580,8 @@ "id": "330", "seqid": 148, "position": { - "x": 235.199997, - "y": -1.600000 + "x": 147.000000, + "y": -1.000000 }, "alias": "G", "templateId": "G___Glycine" @@ -8591,8 +8591,8 @@ "id": "331", "seqid": 149, "position": { - "x": 236.800003, - "y": -1.600000 + "x": 148.000000, + "y": -1.000000 }, "alias": "K", "templateId": "K___Lysine" @@ -8602,8 +8602,8 @@ "id": "332", "seqid": 150, "position": { - "x": 238.400009, - "y": -1.600000 + "x": 149.000000, + "y": -1.000000 }, "alias": "L", "templateId": "L___Leucine" @@ -8613,8 +8613,8 @@ "id": "333", "seqid": 151, "position": { - "x": 240.000000, - "y": -1.600000 + "x": 150.000000, + "y": -1.000000 }, "alias": "H", "templateId": "H___Histidine" @@ -8624,8 +8624,8 @@ "id": "334", "seqid": 152, "position": { - "x": 241.600006, - "y": -1.600000 + "x": 151.000000, + "y": -1.000000 }, "alias": "T", "templateId": "T___Threonine" @@ -8635,8 +8635,8 @@ "id": "335", "seqid": 153, "position": { - "x": 243.199997, - "y": -1.600000 + "x": 152.000000, + "y": -1.000000 }, "alias": "Y", "templateId": "Y___Tyrosine" @@ -8646,8 +8646,8 @@ "id": "336", "seqid": 154, "position": { - "x": 244.800003, - "y": -1.600000 + "x": 153.000000, + "y": -1.000000 }, "alias": "S", "templateId": "S___Serine" @@ -8657,8 +8657,8 @@ "id": "337", "seqid": 155, "position": { - "x": 246.400009, - "y": -1.600000 + "x": 154.000000, + "y": -1.000000 }, "alias": "L", "templateId": "L___Leucine" @@ -8668,8 +8668,8 @@ "id": "338", "seqid": 156, "position": { - "x": 248.000000, - "y": -1.600000 + "x": 155.000000, + "y": -1.000000 }, "alias": "F", "templateId": "F___Phenylalanine" @@ -8679,8 +8679,8 @@ "id": "339", "seqid": 157, "position": { - "x": 249.600006, - "y": -1.600000 + "x": 156.000000, + "y": -1.000000 }, "alias": "G", "templateId": "G___Glycine" @@ -8690,8 +8690,8 @@ "id": "340", "seqid": 158, "position": { - "x": 251.199997, - "y": -1.600000 + "x": 157.000000, + "y": -1.000000 }, "alias": "L", "templateId": "L___Leucine" @@ -8701,8 +8701,8 @@ "id": "341", "seqid": 159, "position": { - "x": 252.800003, - "y": -1.600000 + "x": 158.000000, + "y": -1.000000 }, "alias": "P", "templateId": "P___Proline" @@ -8712,8 +8712,8 @@ "id": "342", "seqid": 160, "position": { - "x": 254.400009, - "y": -1.600000 + "x": 159.000000, + "y": -1.000000 }, "alias": "R", "templateId": "R___Arginine" @@ -8723,8 +8723,8 @@ "id": "343", "seqid": 161, "position": { - "x": 256.000000, - "y": -1.600000 + "x": 160.000000, + "y": -1.000000 }, "alias": "L", "templateId": "L___Leucine" @@ -8734,8 +8734,8 @@ "id": "344", "seqid": 162, "position": { - "x": 257.600006, - "y": -1.600000 + "x": 161.000000, + "y": -1.000000 }, "alias": "P", "templateId": "P___Proline" @@ -8745,8 +8745,8 @@ "id": "345", "seqid": 163, "position": { - "x": 259.200012, - "y": -1.600000 + "x": 162.000000, + "y": -1.000000 }, "alias": "R", "templateId": "R___Arginine" @@ -8756,8 +8756,8 @@ "id": "346", "seqid": 164, "position": { - "x": 260.800018, - "y": -1.600000 + "x": 163.000000, + "y": -1.000000 }, "alias": "G", "templateId": "G___Glycine" @@ -8767,8 +8767,8 @@ "id": "347", "seqid": 165, "position": { - "x": 262.399994, - "y": -1.600000 + "x": 164.000000, + "y": -1.000000 }, "alias": "L", "templateId": "L___Leucine" @@ -8778,8 +8778,8 @@ "id": "348", "seqid": 166, "position": { - "x": 264.000000, - "y": -1.600000 + "x": 165.000000, + "y": -1.000000 }, "alias": "R", "templateId": "R___Arginine" @@ -8789,8 +8789,8 @@ "id": "349", "seqid": 167, "position": { - "x": 265.600006, - "y": -1.600000 + "x": 166.000000, + "y": -1.000000 }, "alias": "F", "templateId": "F___Phenylalanine" diff --git a/api/tests/integration/tests/formats/ref/comment.ket b/api/tests/integration/tests/formats/ref/comment.ket index 65621c99e2..f6d6c05771 100644 --- a/api/tests/integration/tests/formats/ref/comment.ket +++ b/api/tests/integration/tests/formats/ref/comment.ket @@ -1973,7 +1973,7 @@ "id": "1", "seqid": 2, "position": { - "x": 1.600000, + "x": 1.000000, "y": -0.000000 }, "alias": "C", @@ -1984,7 +1984,7 @@ "id": "2", "seqid": 3, "position": { - "x": 3.200000, + "x": 2.000000, "y": -0.000000 }, "alias": "A", @@ -1995,7 +1995,7 @@ "id": "3", "seqid": 4, "position": { - "x": 4.800000, + "x": 3.000000, "y": -0.000000 }, "alias": "G", @@ -2006,7 +2006,7 @@ "id": "4", "seqid": 5, "position": { - "x": 6.400000, + "x": 4.000000, "y": -0.000000 }, "alias": "T", @@ -2017,7 +2017,7 @@ "id": "5", "seqid": 6, "position": { - "x": 8.000000, + "x": 5.000000, "y": -0.000000 }, "alias": "G", @@ -2028,7 +2028,7 @@ "id": "6", "seqid": 7, "position": { - "x": 9.600000, + "x": 6.000000, "y": -0.000000 }, "alias": "G", @@ -2039,7 +2039,7 @@ "id": "7", "seqid": 8, "position": { - "x": 11.200000, + "x": 7.000000, "y": -0.000000 }, "alias": "G", @@ -2050,7 +2050,7 @@ "id": "8", "seqid": 9, "position": { - "x": 12.800000, + "x": 8.000000, "y": -0.000000 }, "alias": "A", @@ -2061,7 +2061,7 @@ "id": "9", "seqid": 10, "position": { - "x": 14.400001, + "x": 9.000000, "y": -0.000000 }, "alias": "A", @@ -2072,7 +2072,7 @@ "id": "10", "seqid": 11, "position": { - "x": 16.000000, + "x": 10.000000, "y": -0.000000 }, "alias": "G", @@ -2083,7 +2083,7 @@ "id": "11", "seqid": 12, "position": { - "x": 17.600000, + "x": 11.000000, "y": -0.000000 }, "alias": "A", @@ -2094,7 +2094,7 @@ "id": "12", "seqid": 13, "position": { - "x": 19.200001, + "x": 12.000000, "y": -0.000000 }, "alias": "G", @@ -2105,7 +2105,7 @@ "id": "13", "seqid": 14, "position": { - "x": 20.800001, + "x": 13.000000, "y": -0.000000 }, "alias": "G", @@ -2116,7 +2116,7 @@ "id": "14", "seqid": 15, "position": { - "x": 22.400000, + "x": 14.000000, "y": -0.000000 }, "alias": "A", @@ -2127,7 +2127,7 @@ "id": "15", "seqid": 16, "position": { - "x": 24.000000, + "x": 15.000000, "y": -0.000000 }, "alias": "G", @@ -2138,7 +2138,7 @@ "id": "16", "seqid": 17, "position": { - "x": 25.600000, + "x": 16.000000, "y": -0.000000 }, "alias": "C", @@ -2149,7 +2149,7 @@ "id": "17", "seqid": 18, "position": { - "x": 27.200001, + "x": 17.000000, "y": -0.000000 }, "alias": "T", @@ -2160,7 +2160,7 @@ "id": "18", "seqid": 19, "position": { - "x": 28.800001, + "x": 18.000000, "y": -0.000000 }, "alias": "T", @@ -2171,7 +2171,7 @@ "id": "19", "seqid": 20, "position": { - "x": 30.400000, + "x": 19.000000, "y": -0.000000 }, "alias": "T", @@ -2182,7 +2182,7 @@ "id": "20", "seqid": 21, "position": { - "x": 32.000000, + "x": 20.000000, "y": -0.000000 }, "alias": "G", @@ -2193,7 +2193,7 @@ "id": "21", "seqid": 22, "position": { - "x": 33.600002, + "x": 21.000000, "y": -0.000000 }, "alias": "T", @@ -2204,7 +2204,7 @@ "id": "22", "seqid": 23, "position": { - "x": 35.200001, + "x": 22.000000, "y": -0.000000 }, "alias": "T", @@ -2215,7 +2215,7 @@ "id": "23", "seqid": 24, "position": { - "x": 36.799999, + "x": 23.000000, "y": -0.000000 }, "alias": "C", @@ -2226,7 +2226,7 @@ "id": "24", "seqid": 25, "position": { - "x": 38.400002, + "x": 24.000000, "y": -0.000000 }, "alias": "C", @@ -2237,7 +2237,7 @@ "id": "25", "seqid": 26, "position": { - "x": 40.000000, + "x": 25.000000, "y": -0.000000 }, "alias": "T", @@ -2248,7 +2248,7 @@ "id": "26", "seqid": 27, "position": { - "x": 41.600002, + "x": 26.000000, "y": -0.000000 }, "alias": "T", @@ -2259,7 +2259,7 @@ "id": "27", "seqid": 28, "position": { - "x": 43.200001, + "x": 27.000000, "y": -0.000000 }, "alias": "G", @@ -2270,7 +2270,7 @@ "id": "28", "seqid": 29, "position": { - "x": 44.799999, + "x": 28.000000, "y": -0.000000 }, "alias": "G", @@ -2281,7 +2281,7 @@ "id": "29", "seqid": 30, "position": { - "x": 46.400002, + "x": 29.000000, "y": -0.000000 }, "alias": "G", @@ -2292,7 +2292,7 @@ "id": "30", "seqid": 31, "position": { - "x": 48.000000, + "x": 30.000000, "y": -0.000000 }, "alias": "T", @@ -2303,7 +2303,7 @@ "id": "31", "seqid": 32, "position": { - "x": 49.600002, + "x": 31.000000, "y": -0.000000 }, "alias": "T", @@ -2314,7 +2314,7 @@ "id": "32", "seqid": 33, "position": { - "x": 51.200001, + "x": 32.000000, "y": -0.000000 }, "alias": "C", @@ -2325,7 +2325,7 @@ "id": "33", "seqid": 34, "position": { - "x": 52.799999, + "x": 33.000000, "y": -0.000000 }, "alias": "T", @@ -2336,7 +2336,7 @@ "id": "34", "seqid": 35, "position": { - "x": 54.400002, + "x": 34.000000, "y": -0.000000 }, "alias": "T", @@ -2347,7 +2347,7 @@ "id": "35", "seqid": 36, "position": { - "x": 56.000000, + "x": 35.000000, "y": -0.000000 }, "alias": "G", @@ -2358,7 +2358,7 @@ "id": "36", "seqid": 37, "position": { - "x": 57.600002, + "x": 36.000000, "y": -0.000000 }, "alias": "G", @@ -2369,7 +2369,7 @@ "id": "37", "seqid": 38, "position": { - "x": 59.200001, + "x": 37.000000, "y": -0.000000 }, "alias": "G", @@ -2380,7 +2380,7 @@ "id": "38", "seqid": 39, "position": { - "x": 60.799999, + "x": 38.000000, "y": -0.000000 }, "alias": "A", @@ -2391,7 +2391,7 @@ "id": "39", "seqid": 40, "position": { - "x": 62.400002, + "x": 39.000000, "y": -0.000000 }, "alias": "G", @@ -2402,7 +2402,7 @@ "id": "40", "seqid": 41, "position": { - "x": 64.000000, + "x": 40.000000, "y": -0.000000 }, "alias": "C", @@ -2413,7 +2413,7 @@ "id": "41", "seqid": 42, "position": { - "x": 65.599998, + "x": 41.000000, "y": -0.000000 }, "alias": "A", @@ -2424,7 +2424,7 @@ "id": "42", "seqid": 43, "position": { - "x": 67.200005, + "x": 42.000000, "y": -0.000000 }, "alias": "G", @@ -2435,7 +2435,7 @@ "id": "43", "seqid": 44, "position": { - "x": 68.800003, + "x": 43.000000, "y": -0.000000 }, "alias": "C", @@ -2446,7 +2446,7 @@ "id": "44", "seqid": 45, "position": { - "x": 70.400002, + "x": 44.000000, "y": -0.000000 }, "alias": "A", @@ -2457,7 +2457,7 @@ "id": "45", "seqid": 46, "position": { - "x": 72.000000, + "x": 45.000000, "y": -0.000000 }, "alias": "G", @@ -2468,7 +2468,7 @@ "id": "46", "seqid": 47, "position": { - "x": 73.599998, + "x": 46.000000, "y": -0.000000 }, "alias": "G", @@ -2479,7 +2479,7 @@ "id": "47", "seqid": 48, "position": { - "x": 75.200005, + "x": 47.000000, "y": -0.000000 }, "alias": "A", @@ -2490,7 +2490,7 @@ "id": "48", "seqid": 49, "position": { - "x": 76.800003, + "x": 48.000000, "y": -0.000000 }, "alias": "A", @@ -2501,7 +2501,7 @@ "id": "49", "seqid": 50, "position": { - "x": 78.400002, + "x": 49.000000, "y": -0.000000 }, "alias": "G", @@ -2512,7 +2512,7 @@ "id": "50", "seqid": 51, "position": { - "x": 80.000000, + "x": 50.000000, "y": -0.000000 }, "alias": "C", @@ -2523,7 +2523,7 @@ "id": "51", "seqid": 52, "position": { - "x": 81.599998, + "x": 51.000000, "y": -0.000000 }, "alias": "A", @@ -2534,7 +2534,7 @@ "id": "52", "seqid": 53, "position": { - "x": 83.200005, + "x": 52.000000, "y": -0.000000 }, "alias": "C", @@ -2545,7 +2545,7 @@ "id": "53", "seqid": 54, "position": { - "x": 84.800003, + "x": 53.000000, "y": -0.000000 }, "alias": "T", @@ -2556,7 +2556,7 @@ "id": "54", "seqid": 55, "position": { - "x": 86.400002, + "x": 54.000000, "y": -0.000000 }, "alias": "A", @@ -2567,7 +2567,7 @@ "id": "55", "seqid": 56, "position": { - "x": 88.000000, + "x": 55.000000, "y": -0.000000 }, "alias": "T", @@ -2578,7 +2578,7 @@ "id": "56", "seqid": 57, "position": { - "x": 89.599998, + "x": 56.000000, "y": -0.000000 }, "alias": "G", @@ -2589,7 +2589,7 @@ "id": "57", "seqid": 58, "position": { - "x": 91.200005, + "x": 57.000000, "y": -0.000000 }, "alias": "G", @@ -2600,7 +2600,7 @@ "id": "58", "seqid": 59, "position": { - "x": 92.800003, + "x": 58.000000, "y": -0.000000 }, "alias": "G", @@ -2611,7 +2611,7 @@ "id": "59", "seqid": 60, "position": { - "x": 94.400002, + "x": 59.000000, "y": -0.000000 }, "alias": "C", @@ -2622,7 +2622,7 @@ "id": "60", "seqid": 61, "position": { - "x": 96.000000, + "x": 60.000000, "y": -0.000000 }, "alias": "G", @@ -2633,7 +2633,7 @@ "id": "61", "seqid": 62, "position": { - "x": 97.599998, + "x": 61.000000, "y": -0.000000 }, "alias": "C", @@ -2644,7 +2644,7 @@ "id": "62", "seqid": 63, "position": { - "x": 99.200005, + "x": 62.000000, "y": -0.000000 }, "alias": "A", @@ -2655,7 +2655,7 @@ "id": "63", "seqid": 64, "position": { - "x": 100.800003, + "x": 63.000000, "y": -0.000000 }, "alias": "G", @@ -2666,7 +2666,7 @@ "id": "64", "seqid": 65, "position": { - "x": 102.400002, + "x": 64.000000, "y": -0.000000 }, "alias": "C", @@ -2677,7 +2677,7 @@ "id": "65", "seqid": 66, "position": { - "x": 104.000000, + "x": 65.000000, "y": -0.000000 }, "alias": "C", @@ -2688,7 +2688,7 @@ "id": "66", "seqid": 67, "position": { - "x": 105.599998, + "x": 66.000000, "y": -0.000000 }, "alias": "T", @@ -2699,7 +2699,7 @@ "id": "67", "seqid": 68, "position": { - "x": 107.200005, + "x": 67.000000, "y": -0.000000 }, "alias": "C", @@ -2710,7 +2710,7 @@ "id": "68", "seqid": 69, "position": { - "x": 108.800003, + "x": 68.000000, "y": -0.000000 }, "alias": "A", @@ -2721,7 +2721,7 @@ "id": "69", "seqid": 70, "position": { - "x": 110.400002, + "x": 69.000000, "y": -0.000000 }, "alias": "A", @@ -2733,7 +2733,7 @@ "seqid": 1, "position": { "x": 0.000000, - "y": -1.600000 + "y": -1.000000 }, "alias": "G", "templateId": "G___Glycine" @@ -2743,8 +2743,8 @@ "id": "71", "seqid": 2, "position": { - "x": 1.600000, - "y": -1.600000 + "x": 1.000000, + "y": -1.000000 }, "alias": "C", "templateId": "C___Cysteine" @@ -2754,8 +2754,8 @@ "id": "72", "seqid": 3, "position": { - "x": 3.200000, - "y": -1.600000 + "x": 2.000000, + "y": -1.000000 }, "alias": "A", "templateId": "A___Alanine" @@ -2765,8 +2765,8 @@ "id": "73", "seqid": 4, "position": { - "x": 4.800000, - "y": -1.600000 + "x": 3.000000, + "y": -1.000000 }, "alias": "G", "templateId": "G___Glycine" @@ -2776,8 +2776,8 @@ "id": "74", "seqid": 5, "position": { - "x": 6.400000, - "y": -1.600000 + "x": 4.000000, + "y": -1.000000 }, "alias": "T", "templateId": "T___Threonine" @@ -2787,8 +2787,8 @@ "id": "75", "seqid": 6, "position": { - "x": 8.000000, - "y": -1.600000 + "x": 5.000000, + "y": -1.000000 }, "alias": "G", "templateId": "G___Glycine" @@ -2798,8 +2798,8 @@ "id": "76", "seqid": 7, "position": { - "x": 9.600000, - "y": -1.600000 + "x": 6.000000, + "y": -1.000000 }, "alias": "G", "templateId": "G___Glycine" @@ -2809,8 +2809,8 @@ "id": "77", "seqid": 8, "position": { - "x": 11.200000, - "y": -1.600000 + "x": 7.000000, + "y": -1.000000 }, "alias": "G", "templateId": "G___Glycine" @@ -2820,8 +2820,8 @@ "id": "78", "seqid": 9, "position": { - "x": 12.800000, - "y": -1.600000 + "x": 8.000000, + "y": -1.000000 }, "alias": "A", "templateId": "A___Alanine" @@ -2831,8 +2831,8 @@ "id": "79", "seqid": 10, "position": { - "x": 14.400001, - "y": -1.600000 + "x": 9.000000, + "y": -1.000000 }, "alias": "A", "templateId": "A___Alanine" @@ -2842,8 +2842,8 @@ "id": "80", "seqid": 11, "position": { - "x": 16.000000, - "y": -1.600000 + "x": 10.000000, + "y": -1.000000 }, "alias": "G", "templateId": "G___Glycine" @@ -2853,8 +2853,8 @@ "id": "81", "seqid": 12, "position": { - "x": 17.600000, - "y": -1.600000 + "x": 11.000000, + "y": -1.000000 }, "alias": "A", "templateId": "A___Alanine" @@ -2864,8 +2864,8 @@ "id": "82", "seqid": 13, "position": { - "x": 19.200001, - "y": -1.600000 + "x": 12.000000, + "y": -1.000000 }, "alias": "G", "templateId": "G___Glycine" @@ -2875,8 +2875,8 @@ "id": "83", "seqid": 14, "position": { - "x": 20.800001, - "y": -1.600000 + "x": 13.000000, + "y": -1.000000 }, "alias": "G", "templateId": "G___Glycine" @@ -2886,8 +2886,8 @@ "id": "84", "seqid": 15, "position": { - "x": 22.400000, - "y": -1.600000 + "x": 14.000000, + "y": -1.000000 }, "alias": "A", "templateId": "A___Alanine" @@ -2897,8 +2897,8 @@ "id": "85", "seqid": 16, "position": { - "x": 24.000000, - "y": -1.600000 + "x": 15.000000, + "y": -1.000000 }, "alias": "G", "templateId": "G___Glycine" @@ -2908,8 +2908,8 @@ "id": "86", "seqid": 17, "position": { - "x": 25.600000, - "y": -1.600000 + "x": 16.000000, + "y": -1.000000 }, "alias": "C", "templateId": "C___Cysteine" @@ -2919,8 +2919,8 @@ "id": "87", "seqid": 18, "position": { - "x": 27.200001, - "y": -1.600000 + "x": 17.000000, + "y": -1.000000 }, "alias": "T", "templateId": "T___Threonine" @@ -2930,8 +2930,8 @@ "id": "88", "seqid": 19, "position": { - "x": 28.800001, - "y": -1.600000 + "x": 18.000000, + "y": -1.000000 }, "alias": "T", "templateId": "T___Threonine" @@ -2941,8 +2941,8 @@ "id": "89", "seqid": 20, "position": { - "x": 30.400000, - "y": -1.600000 + "x": 19.000000, + "y": -1.000000 }, "alias": "T", "templateId": "T___Threonine" @@ -2952,8 +2952,8 @@ "id": "90", "seqid": 21, "position": { - "x": 32.000000, - "y": -1.600000 + "x": 20.000000, + "y": -1.000000 }, "alias": "G", "templateId": "G___Glycine" @@ -2963,8 +2963,8 @@ "id": "91", "seqid": 22, "position": { - "x": 33.600002, - "y": -1.600000 + "x": 21.000000, + "y": -1.000000 }, "alias": "T", "templateId": "T___Threonine" @@ -2974,8 +2974,8 @@ "id": "92", "seqid": 23, "position": { - "x": 35.200001, - "y": -1.600000 + "x": 22.000000, + "y": -1.000000 }, "alias": "T", "templateId": "T___Threonine" @@ -2985,8 +2985,8 @@ "id": "93", "seqid": 24, "position": { - "x": 36.799999, - "y": -1.600000 + "x": 23.000000, + "y": -1.000000 }, "alias": "C", "templateId": "C___Cysteine" @@ -2996,8 +2996,8 @@ "id": "94", "seqid": 25, "position": { - "x": 38.400002, - "y": -1.600000 + "x": 24.000000, + "y": -1.000000 }, "alias": "C", "templateId": "C___Cysteine" @@ -3007,8 +3007,8 @@ "id": "95", "seqid": 26, "position": { - "x": 40.000000, - "y": -1.600000 + "x": 25.000000, + "y": -1.000000 }, "alias": "T", "templateId": "T___Threonine" @@ -3018,8 +3018,8 @@ "id": "96", "seqid": 27, "position": { - "x": 41.600002, - "y": -1.600000 + "x": 26.000000, + "y": -1.000000 }, "alias": "T", "templateId": "T___Threonine" @@ -3029,8 +3029,8 @@ "id": "97", "seqid": 28, "position": { - "x": 43.200001, - "y": -1.600000 + "x": 27.000000, + "y": -1.000000 }, "alias": "G", "templateId": "G___Glycine" @@ -3040,8 +3040,8 @@ "id": "98", "seqid": 29, "position": { - "x": 44.799999, - "y": -1.600000 + "x": 28.000000, + "y": -1.000000 }, "alias": "G", "templateId": "G___Glycine" @@ -3051,8 +3051,8 @@ "id": "99", "seqid": 30, "position": { - "x": 46.400002, - "y": -1.600000 + "x": 29.000000, + "y": -1.000000 }, "alias": "G", "templateId": "G___Glycine" @@ -3062,8 +3062,8 @@ "id": "100", "seqid": 31, "position": { - "x": 48.000000, - "y": -1.600000 + "x": 30.000000, + "y": -1.000000 }, "alias": "T", "templateId": "T___Threonine" @@ -3073,8 +3073,8 @@ "id": "101", "seqid": 32, "position": { - "x": 49.600002, - "y": -1.600000 + "x": 31.000000, + "y": -1.000000 }, "alias": "T", "templateId": "T___Threonine" @@ -3084,8 +3084,8 @@ "id": "102", "seqid": 33, "position": { - "x": 51.200001, - "y": -1.600000 + "x": 32.000000, + "y": -1.000000 }, "alias": "C", "templateId": "C___Cysteine" @@ -3095,8 +3095,8 @@ "id": "103", "seqid": 34, "position": { - "x": 52.799999, - "y": -1.600000 + "x": 33.000000, + "y": -1.000000 }, "alias": "T", "templateId": "T___Threonine" @@ -3106,8 +3106,8 @@ "id": "104", "seqid": 35, "position": { - "x": 54.400002, - "y": -1.600000 + "x": 34.000000, + "y": -1.000000 }, "alias": "T", "templateId": "T___Threonine" @@ -3117,8 +3117,8 @@ "id": "105", "seqid": 36, "position": { - "x": 56.000000, - "y": -1.600000 + "x": 35.000000, + "y": -1.000000 }, "alias": "G", "templateId": "G___Glycine" @@ -3128,8 +3128,8 @@ "id": "106", "seqid": 37, "position": { - "x": 57.600002, - "y": -1.600000 + "x": 36.000000, + "y": -1.000000 }, "alias": "G", "templateId": "G___Glycine" @@ -3139,8 +3139,8 @@ "id": "107", "seqid": 38, "position": { - "x": 59.200001, - "y": -1.600000 + "x": 37.000000, + "y": -1.000000 }, "alias": "G", "templateId": "G___Glycine" @@ -3150,8 +3150,8 @@ "id": "108", "seqid": 39, "position": { - "x": 60.799999, - "y": -1.600000 + "x": 38.000000, + "y": -1.000000 }, "alias": "A", "templateId": "A___Alanine" @@ -3161,8 +3161,8 @@ "id": "109", "seqid": 40, "position": { - "x": 62.400002, - "y": -1.600000 + "x": 39.000000, + "y": -1.000000 }, "alias": "G", "templateId": "G___Glycine" @@ -3172,8 +3172,8 @@ "id": "110", "seqid": 41, "position": { - "x": 64.000000, - "y": -1.600000 + "x": 40.000000, + "y": -1.000000 }, "alias": "C", "templateId": "C___Cysteine" @@ -3183,8 +3183,8 @@ "id": "111", "seqid": 42, "position": { - "x": 65.599998, - "y": -1.600000 + "x": 41.000000, + "y": -1.000000 }, "alias": "A", "templateId": "A___Alanine" @@ -3194,8 +3194,8 @@ "id": "112", "seqid": 43, "position": { - "x": 67.200005, - "y": -1.600000 + "x": 42.000000, + "y": -1.000000 }, "alias": "G", "templateId": "G___Glycine" @@ -3205,8 +3205,8 @@ "id": "113", "seqid": 44, "position": { - "x": 68.800003, - "y": -1.600000 + "x": 43.000000, + "y": -1.000000 }, "alias": "C", "templateId": "C___Cysteine" @@ -3216,8 +3216,8 @@ "id": "114", "seqid": 45, "position": { - "x": 70.400002, - "y": -1.600000 + "x": 44.000000, + "y": -1.000000 }, "alias": "A", "templateId": "A___Alanine" @@ -3227,8 +3227,8 @@ "id": "115", "seqid": 46, "position": { - "x": 72.000000, - "y": -1.600000 + "x": 45.000000, + "y": -1.000000 }, "alias": "G", "templateId": "G___Glycine" @@ -3238,8 +3238,8 @@ "id": "116", "seqid": 47, "position": { - "x": 73.599998, - "y": -1.600000 + "x": 46.000000, + "y": -1.000000 }, "alias": "G", "templateId": "G___Glycine" @@ -3249,8 +3249,8 @@ "id": "117", "seqid": 48, "position": { - "x": 75.200005, - "y": -1.600000 + "x": 47.000000, + "y": -1.000000 }, "alias": "A", "templateId": "A___Alanine" @@ -3260,8 +3260,8 @@ "id": "118", "seqid": 49, "position": { - "x": 76.800003, - "y": -1.600000 + "x": 48.000000, + "y": -1.000000 }, "alias": "A", "templateId": "A___Alanine" @@ -3271,8 +3271,8 @@ "id": "119", "seqid": 50, "position": { - "x": 78.400002, - "y": -1.600000 + "x": 49.000000, + "y": -1.000000 }, "alias": "G", "templateId": "G___Glycine" @@ -3282,8 +3282,8 @@ "id": "120", "seqid": 51, "position": { - "x": 80.000000, - "y": -1.600000 + "x": 50.000000, + "y": -1.000000 }, "alias": "C", "templateId": "C___Cysteine" @@ -3293,8 +3293,8 @@ "id": "121", "seqid": 52, "position": { - "x": 81.599998, - "y": -1.600000 + "x": 51.000000, + "y": -1.000000 }, "alias": "A", "templateId": "A___Alanine" @@ -3304,8 +3304,8 @@ "id": "122", "seqid": 53, "position": { - "x": 83.200005, - "y": -1.600000 + "x": 52.000000, + "y": -1.000000 }, "alias": "C", "templateId": "C___Cysteine" @@ -3315,8 +3315,8 @@ "id": "123", "seqid": 54, "position": { - "x": 84.800003, - "y": -1.600000 + "x": 53.000000, + "y": -1.000000 }, "alias": "T", "templateId": "T___Threonine" @@ -3326,8 +3326,8 @@ "id": "124", "seqid": 55, "position": { - "x": 86.400002, - "y": -1.600000 + "x": 54.000000, + "y": -1.000000 }, "alias": "A", "templateId": "A___Alanine" @@ -3337,8 +3337,8 @@ "id": "125", "seqid": 56, "position": { - "x": 88.000000, - "y": -1.600000 + "x": 55.000000, + "y": -1.000000 }, "alias": "T", "templateId": "T___Threonine" @@ -3348,8 +3348,8 @@ "id": "126", "seqid": 57, "position": { - "x": 89.599998, - "y": -1.600000 + "x": 56.000000, + "y": -1.000000 }, "alias": "G", "templateId": "G___Glycine" @@ -3359,8 +3359,8 @@ "id": "127", "seqid": 58, "position": { - "x": 91.200005, - "y": -1.600000 + "x": 57.000000, + "y": -1.000000 }, "alias": "G", "templateId": "G___Glycine" @@ -3370,8 +3370,8 @@ "id": "128", "seqid": 59, "position": { - "x": 92.800003, - "y": -1.600000 + "x": 58.000000, + "y": -1.000000 }, "alias": "G", "templateId": "G___Glycine" @@ -3381,8 +3381,8 @@ "id": "129", "seqid": 60, "position": { - "x": 94.400002, - "y": -1.600000 + "x": 59.000000, + "y": -1.000000 }, "alias": "C", "templateId": "C___Cysteine" @@ -3392,8 +3392,8 @@ "id": "130", "seqid": 61, "position": { - "x": 96.000000, - "y": -1.600000 + "x": 60.000000, + "y": -1.000000 }, "alias": "G", "templateId": "G___Glycine" @@ -3403,8 +3403,8 @@ "id": "131", "seqid": 62, "position": { - "x": 97.599998, - "y": -1.600000 + "x": 61.000000, + "y": -1.000000 }, "alias": "C", "templateId": "C___Cysteine" @@ -3414,8 +3414,8 @@ "id": "132", "seqid": 63, "position": { - "x": 99.200005, - "y": -1.600000 + "x": 62.000000, + "y": -1.000000 }, "alias": "A", "templateId": "A___Alanine" @@ -3425,8 +3425,8 @@ "id": "133", "seqid": 64, "position": { - "x": 100.800003, - "y": -1.600000 + "x": 63.000000, + "y": -1.000000 }, "alias": "G", "templateId": "G___Glycine" @@ -3436,8 +3436,8 @@ "id": "134", "seqid": 65, "position": { - "x": 102.400002, - "y": -1.600000 + "x": 64.000000, + "y": -1.000000 }, "alias": "C", "templateId": "C___Cysteine" @@ -3447,8 +3447,8 @@ "id": "135", "seqid": 66, "position": { - "x": 104.000000, - "y": -1.600000 + "x": 65.000000, + "y": -1.000000 }, "alias": "C", "templateId": "C___Cysteine" @@ -3458,8 +3458,8 @@ "id": "136", "seqid": 67, "position": { - "x": 105.599998, - "y": -1.600000 + "x": 66.000000, + "y": -1.000000 }, "alias": "T", "templateId": "T___Threonine" @@ -3469,8 +3469,8 @@ "id": "137", "seqid": 68, "position": { - "x": 107.200005, - "y": -1.600000 + "x": 67.000000, + "y": -1.000000 }, "alias": "C", "templateId": "C___Cysteine" @@ -3480,8 +3480,8 @@ "id": "138", "seqid": 69, "position": { - "x": 108.800003, - "y": -1.600000 + "x": 68.000000, + "y": -1.000000 }, "alias": "A", "templateId": "A___Alanine" @@ -3491,8 +3491,8 @@ "id": "139", "seqid": 70, "position": { - "x": 110.400002, - "y": -1.600000 + "x": 69.000000, + "y": -1.000000 }, "alias": "A", "templateId": "A___Alanine" diff --git a/api/tests/integration/tests/formats/ref/conjugate.ket b/api/tests/integration/tests/formats/ref/conjugate.ket index 5b56dc5f98..52adce14b1 100644 --- a/api/tests/integration/tests/formats/ref/conjugate.ket +++ b/api/tests/integration/tests/formats/ref/conjugate.ket @@ -1667,7 +1667,7 @@ "seqid": 22, "position": { "x": 10.088197708129883, - "y": -12.818632125854493 + "y": -12.218631744384766 }, "alias": "G", "templateId": "Gua" @@ -1700,7 +1700,7 @@ "seqid": 20, "position": { "x": 7.537199974060059, - "y": -13.579000473022461 + "y": -12.979000091552735 }, "alias": "C", "templateId": "Cyt" @@ -1722,7 +1722,7 @@ "seqid": 19, "position": { "x": 7.263199806213379, - "y": -13.579000473022461 + "y": -12.979000091552735 }, "alias": "G", "templateId": "Gua" @@ -1744,7 +1744,7 @@ "seqid": 18, "position": { "x": 6.989200115203857, - "y": -13.579000473022461 + "y": -12.979000091552735 }, "alias": "C", "templateId": "Cyt" @@ -1766,7 +1766,7 @@ "seqid": 17, "position": { "x": 6.715199947357178, - "y": -13.579000473022461 + "y": -12.979000091552735 }, "alias": "T", "templateId": "Thy" @@ -1788,7 +1788,7 @@ "seqid": 16, "position": { "x": 6.441200256347656, - "y": -13.579000473022461 + "y": -12.979000091552735 }, "alias": "G", "templateId": "Gua" @@ -1810,7 +1810,7 @@ "seqid": 15, "position": { "x": 6.167200088500977, - "y": -13.579000473022461 + "y": -12.979000091552735 }, "alias": "A", "templateId": "Ade" @@ -1832,7 +1832,7 @@ "seqid": 21, "position": { "x": 7.948249816894531, - "y": -13.579000473022461 + "y": -12.979000091552735 }, "alias": "C", "templateId": "Cyt" @@ -1854,7 +1854,7 @@ "seqid": 14, "position": { "x": 5.893150329589844, - "y": -13.579000473022461 + "y": -12.979000091552735 }, "alias": "C", "templateId": "Cyt" @@ -1887,7 +1887,7 @@ "seqid": 12, "position": { "x": 5.345099925994873, - "y": -13.579000473022461 + "y": -12.979000091552735 }, "alias": "A", "templateId": "Ade" @@ -1909,7 +1909,7 @@ "seqid": 11, "position": { "x": 4.934100151062012, - "y": -13.579000473022461 + "y": -12.979000091552735 }, "alias": "C", "templateId": "Cyt" @@ -1920,7 +1920,7 @@ "seqid": 13, "position": { "x": 5.619100093841553, - "y": -13.579000473022461 + "y": -12.979000091552735 }, "alias": "C", "templateId": "Cyt" @@ -1942,7 +1942,7 @@ "seqid": 10, "position": { "x": 4.523099899291992, - "y": -13.579000473022461 + "y": -12.979000091552735 }, "alias": "T", "templateId": "Thy" @@ -1975,7 +1975,7 @@ "seqid": 9, "position": { "x": 4.249050140380859, - "y": -13.579000473022461 + "y": -12.979000091552735 }, "alias": "C", "templateId": "Cyt" @@ -1997,7 +1997,7 @@ "seqid": 8, "position": { "x": 3.9749999046325685, - "y": -13.579000473022461 + "y": -12.979000091552735 }, "alias": "A", "templateId": "Ade" @@ -2019,7 +2019,7 @@ "seqid": 7, "position": { "x": 3.7009999752044679, - "y": -13.579000473022461 + "y": -12.979000091552735 }, "alias": "T", "templateId": "Thy" @@ -2041,7 +2041,7 @@ "seqid": 6, "position": { "x": 3.427000045776367, - "y": -13.579000473022461 + "y": -12.979000091552735 }, "alias": "G", "templateId": "Gua" @@ -2063,7 +2063,7 @@ "seqid": 5, "position": { "x": 3.1529998779296877, - "y": -13.579000473022461 + "y": -12.979000091552735 }, "alias": "C", "templateId": "Cyt" @@ -2085,7 +2085,7 @@ "seqid": 4, "position": { "x": 2.879000186920166, - "y": -13.579000473022461 + "y": -12.979000091552735 }, "alias": "G", "templateId": "Gua" @@ -2107,7 +2107,7 @@ "seqid": 3, "position": { "x": 2.604949951171875, - "y": -13.579000473022461 + "y": -12.979000091552735 }, "alias": "G", "templateId": "Gua" @@ -2129,7 +2129,7 @@ "seqid": 2, "position": { "x": 2.330900192260742, - "y": -13.579000473022461 + "y": -12.979000091552735 }, "alias": "T", "templateId": "Thy" diff --git a/api/tests/integration/tests/formats/ref/dna_acgtu.ket b/api/tests/integration/tests/formats/ref/dna_acgtu.ket index ac1f6ab3a9..9e91a7354f 100644 --- a/api/tests/integration/tests/formats/ref/dna_acgtu.ket +++ b/api/tests/integration/tests/formats/ref/dna_acgtu.ket @@ -230,7 +230,7 @@ "seqid": 1, "position": { "x": 0.000000, - "y": -1.600000 + "y": -1.000000 }, "alias": "A", "templateId": "A___Adenine" @@ -240,7 +240,7 @@ "id": "2", "seqid": 2, "position": { - "x": 3.200000, + "x": 2.000000, "y": -0.000000 }, "alias": "dR", @@ -251,8 +251,8 @@ "id": "3", "seqid": 2, "position": { - "x": 3.200000, - "y": -1.600000 + "x": 2.000000, + "y": -1.000000 }, "alias": "C", "templateId": "C___Cytosine" @@ -262,7 +262,7 @@ "id": "4", "seqid": 1, "position": { - "x": 1.600000, + "x": 1.000000, "y": -0.000000 }, "alias": "P", @@ -273,7 +273,7 @@ "id": "5", "seqid": 3, "position": { - "x": 6.400000, + "x": 4.000000, "y": -0.000000 }, "alias": "dR", @@ -284,8 +284,8 @@ "id": "6", "seqid": 3, "position": { - "x": 6.400000, - "y": -1.600000 + "x": 4.000000, + "y": -1.000000 }, "alias": "G", "templateId": "G___Guanine" @@ -295,7 +295,7 @@ "id": "7", "seqid": 2, "position": { - "x": 4.800000, + "x": 3.000000, "y": -0.000000 }, "alias": "P", @@ -306,7 +306,7 @@ "id": "8", "seqid": 4, "position": { - "x": 9.600000, + "x": 6.000000, "y": -0.000000 }, "alias": "dR", @@ -317,8 +317,8 @@ "id": "9", "seqid": 4, "position": { - "x": 9.600000, - "y": -1.600000 + "x": 6.000000, + "y": -1.000000 }, "alias": "T", "templateId": "T___Thymine" @@ -328,7 +328,7 @@ "id": "10", "seqid": 3, "position": { - "x": 8.000000, + "x": 5.000000, "y": -0.000000 }, "alias": "P", @@ -339,7 +339,7 @@ "id": "11", "seqid": 5, "position": { - "x": 12.800000, + "x": 8.000000, "y": -0.000000 }, "alias": "dR", @@ -350,8 +350,8 @@ "id": "12", "seqid": 5, "position": { - "x": 12.800000, - "y": -1.600000 + "x": 8.000000, + "y": -1.000000 }, "alias": "U", "templateId": "U___Uracil" @@ -361,7 +361,7 @@ "id": "13", "seqid": 4, "position": { - "x": 11.200000, + "x": 7.000000, "y": -0.000000 }, "alias": "P", diff --git a/api/tests/integration/tests/formats/ref/dna_mod.ket b/api/tests/integration/tests/formats/ref/dna_mod.ket index aa1a68f39d..c007360480 100644 --- a/api/tests/integration/tests/formats/ref/dna_mod.ket +++ b/api/tests/integration/tests/formats/ref/dna_mod.ket @@ -1038,8 +1038,8 @@ "id": "20", "seqid": 22, "position": { - "x": 9.82229995727539, - "y": -13.579000473022461 + "x": 9.222299575805664, + "y": -12.979000091552735 }, "alias": "G", "templateId": "Gua" @@ -1049,7 +1049,7 @@ "id": "21", "seqid": 22, "position": { - "x": 9.82229995727539, + "x": 9.222299575805664, "y": -11.979000091552735 }, "alias": "dR", @@ -1061,7 +1061,7 @@ "seqid": 21, "position": { "x": 7.948249816894531, - "y": -13.579000473022461 + "y": -12.979000091552735 }, "alias": "C", "templateId": "Cyt" @@ -1083,7 +1083,7 @@ "seqid": 20, "position": { "x": 7.537199974060059, - "y": -13.579000473022461 + "y": -12.979000091552735 }, "alias": "C", "templateId": "Cyt" @@ -1104,8 +1104,8 @@ "id": "26", "seqid": 18, "position": { - "x": 8.452199935913086, - "y": -13.579000473022461 + "x": 7.852200031280518, + "y": -12.979000091552735 }, "alias": "C", "templateId": "Cyt" @@ -1115,7 +1115,7 @@ "id": "27", "seqid": 18, "position": { - "x": 8.452199935913086, + "x": 7.852200031280518, "y": -11.979000091552735 }, "alias": "dR", @@ -1127,7 +1127,7 @@ "seqid": 17, "position": { "x": 6.715199947357178, - "y": -13.579000473022461 + "y": -12.979000091552735 }, "alias": "T", "templateId": "Thy" @@ -1149,7 +1149,7 @@ "seqid": 16, "position": { "x": 6.441200256347656, - "y": -13.579000473022461 + "y": -12.979000091552735 }, "alias": "G", "templateId": "Gua" @@ -1171,7 +1171,7 @@ "seqid": 15, "position": { "x": 6.167200088500977, - "y": -13.579000473022461 + "y": -12.979000091552735 }, "alias": "A", "templateId": "Ade" @@ -1204,7 +1204,7 @@ "seqid": 14, "position": { "x": 5.893150329589844, - "y": -13.579000473022461 + "y": -12.979000091552735 }, "alias": "C", "templateId": "Cyt" @@ -1226,7 +1226,7 @@ "seqid": 12, "position": { "x": 5.659220218658447, - "y": -13.406477928161621 + "y": -12.806477546691895 }, "alias": "A", "templateId": "Ade" @@ -1248,7 +1248,7 @@ "seqid": 11, "position": { "x": 4.934100151062012, - "y": -13.579000473022461 + "y": -12.979000091552735 }, "alias": "C", "templateId": "Cyt" @@ -1269,8 +1269,8 @@ "id": "41", "seqid": 9, "position": { - "x": 5.711999893188477, - "y": -13.579000473022461 + "x": 5.111999988555908, + "y": -12.979000091552735 }, "alias": "C", "templateId": "Cyt" @@ -1280,7 +1280,7 @@ "id": "42", "seqid": 9, "position": { - "x": 5.711999893188477, + "x": 5.111999988555908, "y": -11.979000091552735 }, "alias": "dR", @@ -1292,7 +1292,7 @@ "seqid": 8, "position": { "x": 3.9749999046325685, - "y": -13.579000473022461 + "y": -12.979000091552735 }, "alias": "A", "templateId": "Ade" @@ -1313,8 +1313,8 @@ "id": "45", "seqid": 6, "position": { - "x": 4.889999866485596, - "y": -13.579000473022461 + "x": 4.289999961853027, + "y": -12.979000091552735 }, "alias": "G", "templateId": "Gua" @@ -1324,7 +1324,7 @@ "id": "46", "seqid": 6, "position": { - "x": 4.889999866485596, + "x": 4.289999961853027, "y": -11.979000091552735 }, "alias": "dR", @@ -1336,7 +1336,7 @@ "seqid": 5, "position": { "x": 3.1529998779296877, - "y": -13.579000473022461 + "y": -12.979000091552735 }, "alias": "C", "templateId": "Cyt" @@ -1358,7 +1358,7 @@ "seqid": 4, "position": { "x": 2.879000186920166, - "y": -13.579000473022461 + "y": -12.979000091552735 }, "alias": "G", "templateId": "Gua" @@ -1380,7 +1380,7 @@ "seqid": 3, "position": { "x": 2.604949951171875, - "y": -13.579000473022461 + "y": -12.979000091552735 }, "alias": "G", "templateId": "Gua" @@ -1402,7 +1402,7 @@ "seqid": 2, "position": { "x": 2.330900192260742, - "y": -13.579000473022461 + "y": -12.979000091552735 }, "alias": "T", "templateId": "Thy" diff --git a/api/tests/integration/tests/formats/ref/dna_variants.ket b/api/tests/integration/tests/formats/ref/dna_variants.ket index dd3c9af9d6..cb4fc68cf4 100644 --- a/api/tests/integration/tests/formats/ref/dna_variants.ket +++ b/api/tests/integration/tests/formats/ref/dna_variants.ket @@ -106,7 +106,7 @@ "id": "1", "position": { "x": 0.000000, - "y": -1.600000 + "y": -1.000000 }, "seqid": 1, "alias": "B", @@ -117,7 +117,7 @@ "id": "2", "seqid": 2, "position": { - "x": 3.200000, + "x": 2.000000, "y": -0.000000 }, "alias": "dR", @@ -127,8 +127,8 @@ "type": "ambiguousMonomer", "id": "3", "position": { - "x": 3.200000, - "y": -1.600000 + "x": 2.000000, + "y": -1.000000 }, "seqid": 2, "alias": "N", @@ -139,7 +139,7 @@ "id": "4", "seqid": 1, "position": { - "x": 1.600000, + "x": 1.000000, "y": -0.000000 }, "alias": "P", diff --git a/api/tests/integration/tests/formats/ref/helm_aminoacids_variants.ket b/api/tests/integration/tests/formats/ref/helm_aminoacids_variants.ket index a9ac0ffd9f..69d232d31d 100644 --- a/api/tests/integration/tests/formats/ref/helm_aminoacids_variants.ket +++ b/api/tests/integration/tests/formats/ref/helm_aminoacids_variants.ket @@ -148,7 +148,7 @@ "type": "ambiguousMonomer", "id": "1", "position": { - "x": 1.600000, + "x": 1.000000, "y": -0.000000 }, "seqid": 2, @@ -159,7 +159,7 @@ "type": "ambiguousMonomer", "id": "2", "position": { - "x": 3.200000, + "x": 2.000000, "y": -0.000000 }, "seqid": 3, @@ -170,7 +170,7 @@ "type": "ambiguousMonomer", "id": "3", "position": { - "x": 4.800000, + "x": 3.000000, "y": -0.000000 }, "seqid": 4, diff --git a/api/tests/integration/tests/formats/ref/helm_annotations.ket b/api/tests/integration/tests/formats/ref/helm_annotations.ket index 8a341bce96..cf9d63b988 100644 --- a/api/tests/integration/tests/formats/ref/helm_annotations.ket +++ b/api/tests/integration/tests/formats/ref/helm_annotations.ket @@ -149,7 +149,7 @@ "seqid": 1, "position": { "x": 0.000000, - "y": -1.600000 + "y": -1.000000 }, "alias": "hxy", "templateId": "hxy___Hexynyl alcohol" @@ -160,7 +160,7 @@ "seqid": 2, "position": { "x": 0.000000, - "y": -3.200000 + "y": -2.000000 }, "alias": "R", "templateId": "R___Ribose" @@ -171,7 +171,7 @@ "seqid": 3, "position": { "x": 0.000000, - "y": -4.800000 + "y": -3.000000 }, "alias": "A", "templateId": "A___Adenine" @@ -181,8 +181,8 @@ "id": "3", "seqid": 4, "position": { - "x": 1.600000, - "y": -3.200000 + "x": 1.000000, + "y": -2.000000 }, "alias": "P", "templateId": "P___Phosphate" @@ -192,8 +192,8 @@ "id": "4", "seqid": 5, "position": { - "x": 3.200000, - "y": -3.200000 + "x": 2.000000, + "y": -2.000000 }, "alias": "R", "templateId": "R___Ribose" @@ -203,8 +203,8 @@ "id": "5", "seqid": 6, "position": { - "x": 3.200000, - "y": -4.800000 + "x": 2.000000, + "y": -3.000000 }, "alias": "U", "templateId": "U___Uracil" @@ -214,8 +214,8 @@ "id": "6", "seqid": 7, "position": { - "x": 4.800000, - "y": -3.200000 + "x": 3.000000, + "y": -2.000000 }, "alias": "P", "templateId": "P___Phosphate" @@ -225,8 +225,8 @@ "id": "7", "seqid": 8, "position": { - "x": 6.400000, - "y": -3.200000 + "x": 4.000000, + "y": -2.000000 }, "alias": "R", "templateId": "R___Ribose" @@ -236,8 +236,8 @@ "id": "8", "seqid": 9, "position": { - "x": 6.400000, - "y": -4.800000 + "x": 4.000000, + "y": -3.000000 }, "alias": "G", "templateId": "G___Guanine" @@ -247,8 +247,8 @@ "id": "9", "seqid": 10, "position": { - "x": 8.000000, - "y": -3.200000 + "x": 5.000000, + "y": -2.000000 }, "alias": "P", "templateId": "P___Phosphate" diff --git a/api/tests/integration/tests/formats/ref/helm_chem_peptide.ket b/api/tests/integration/tests/formats/ref/helm_chem_peptide.ket index e3369b0790..2f05eb9740 100644 --- a/api/tests/integration/tests/formats/ref/helm_chem_peptide.ket +++ b/api/tests/integration/tests/formats/ref/helm_chem_peptide.ket @@ -239,7 +239,7 @@ "seqid": 2, "position": { "x": 0.000000, - "y": -1.600000 + "y": -1.000000 }, "alias": "W", "templateId": "W___Tryptophan" @@ -249,8 +249,8 @@ "id": "2", "seqid": 3, "position": { - "x": 1.600000, - "y": -1.600000 + "x": 1.000000, + "y": -1.000000 }, "alias": "N", "templateId": "N___Asparagine" @@ -260,8 +260,8 @@ "id": "3", "seqid": 4, "position": { - "x": 3.200000, - "y": -1.600000 + "x": 2.000000, + "y": -1.000000 }, "alias": "D", "templateId": "D___Aspartic acid" @@ -271,8 +271,8 @@ "id": "4", "seqid": 5, "position": { - "x": 4.800000, - "y": -1.600000 + "x": 3.000000, + "y": -1.000000 }, "alias": "Pen", "templateId": "Pen___penicillamine (3-mercaptovaline)" @@ -282,8 +282,8 @@ "id": "5", "seqid": 6, "position": { - "x": 6.400000, - "y": -1.600000 + "x": 4.000000, + "y": -1.000000 }, "alias": "G", "templateId": "G___Glycine" @@ -293,8 +293,8 @@ "id": "6", "seqid": 7, "position": { - "x": 8.000000, - "y": -1.600000 + "x": 5.000000, + "y": -1.000000 }, "alias": "Orn", "templateId": "Orn___L-ornithine" @@ -304,8 +304,8 @@ "id": "7", "seqid": 8, "position": { - "x": 9.600000, - "y": -1.600000 + "x": 6.000000, + "y": -1.000000 }, "alias": "D", "templateId": "D___Aspartic acid" @@ -315,8 +315,8 @@ "id": "8", "seqid": 9, "position": { - "x": 11.200000, - "y": -1.600000 + "x": 7.000000, + "y": -1.000000 }, "alias": "A", "templateId": "A___Alanine" @@ -326,8 +326,8 @@ "id": "9", "seqid": 10, "position": { - "x": 12.800000, - "y": -1.600000 + "x": 8.000000, + "y": -1.000000 }, "alias": "D", "templateId": "D___Aspartic acid" @@ -337,8 +337,8 @@ "id": "10", "seqid": 11, "position": { - "x": 14.400001, - "y": -1.600000 + "x": 9.000000, + "y": -1.000000 }, "alias": "G", "templateId": "G___Glycine" @@ -348,8 +348,8 @@ "id": "11", "seqid": 12, "position": { - "x": 16.000000, - "y": -1.600000 + "x": 10.000000, + "y": -1.000000 }, "alias": "S", "templateId": "S___Serine" @@ -359,8 +359,8 @@ "id": "12", "seqid": 13, "position": { - "x": 17.600000, - "y": -1.600000 + "x": 11.000000, + "y": -1.000000 }, "alias": "G", "templateId": "G___Glycine" @@ -370,8 +370,8 @@ "id": "13", "seqid": 14, "position": { - "x": 19.200001, - "y": -1.600000 + "x": 12.000000, + "y": -1.000000 }, "alias": "Cap", "templateId": "Cap___gamma-amino-beta-hydroxycyclohexanepentanoic acid" diff --git a/api/tests/integration/tests/formats/ref/helm_chem_rna.ket b/api/tests/integration/tests/formats/ref/helm_chem_rna.ket index 955d5fa8d6..64045a2e95 100644 --- a/api/tests/integration/tests/formats/ref/helm_chem_rna.ket +++ b/api/tests/integration/tests/formats/ref/helm_chem_rna.ket @@ -81,7 +81,7 @@ "seqid": 2, "position": { "x": 0.000000, - "y": -1.600000 + "y": -1.000000 }, "alias": "R", "templateId": "R___Ribose" @@ -92,7 +92,7 @@ "seqid": 3, "position": { "x": 0.000000, - "y": -3.200000 + "y": -2.000000 }, "alias": "U", "templateId": "U___Uracil" @@ -102,8 +102,8 @@ "id": "3", "seqid": 4, "position": { - "x": 1.600000, - "y": -1.600000 + "x": 1.000000, + "y": -1.000000 }, "alias": "P", "templateId": "P___Phosphate" diff --git a/api/tests/integration/tests/formats/ref/helm_chem_rna_hydro.ket b/api/tests/integration/tests/formats/ref/helm_chem_rna_hydro.ket index 0508693cdc..132af9e70a 100644 --- a/api/tests/integration/tests/formats/ref/helm_chem_rna_hydro.ket +++ b/api/tests/integration/tests/formats/ref/helm_chem_rna_hydro.ket @@ -79,7 +79,7 @@ "seqid": 2, "position": { "x": 0.000000, - "y": -1.600000 + "y": -1.000000 }, "alias": "R", "templateId": "R___Ribose" @@ -90,7 +90,7 @@ "seqid": 3, "position": { "x": 0.000000, - "y": -3.200000 + "y": -2.000000 }, "alias": "U", "templateId": "U___Uracil" @@ -100,8 +100,8 @@ "id": "3", "seqid": 4, "position": { - "x": 1.600000, - "y": -1.600000 + "x": 1.000000, + "y": -1.000000 }, "alias": "P", "templateId": "P___Phosphate" diff --git a/api/tests/integration/tests/formats/ref/helm_mixed_base.ket b/api/tests/integration/tests/formats/ref/helm_mixed_base.ket index 32c897eeae..4b261f1e30 100644 --- a/api/tests/integration/tests/formats/ref/helm_mixed_base.ket +++ b/api/tests/integration/tests/formats/ref/helm_mixed_base.ket @@ -188,7 +188,7 @@ "seqid": 2, "position": { "x": 0.000000, - "y": -1.600000 + "y": -1.000000 }, "alias": "A", "templateId": "A___Adenine" @@ -198,7 +198,7 @@ "id": "2", "seqid": 3, "position": { - "x": 1.600000, + "x": 1.000000, "y": -0.000000 }, "alias": "P", @@ -209,7 +209,7 @@ "id": "3", "seqid": 4, "position": { - "x": 3.200000, + "x": 2.000000, "y": -0.000000 }, "alias": "dR", @@ -219,8 +219,8 @@ "type": "ambiguousMonomer", "id": "4", "position": { - "x": 3.200000, - "y": -1.600000 + "x": 2.000000, + "y": -1.000000 }, "seqid": 5, "alias": "Var0", @@ -231,7 +231,7 @@ "id": "5", "seqid": 6, "position": { - "x": 4.800000, + "x": 3.000000, "y": -0.000000 }, "alias": "P", @@ -242,7 +242,7 @@ "id": "6", "seqid": 7, "position": { - "x": 6.400000, + "x": 4.000000, "y": -0.000000 }, "alias": "dR", @@ -253,8 +253,8 @@ "id": "7", "seqid": 8, "position": { - "x": 6.400000, - "y": -1.600000 + "x": 4.000000, + "y": -1.000000 }, "alias": "A", "templateId": "A___Adenine" @@ -264,7 +264,7 @@ "id": "8", "seqid": 9, "position": { - "x": 8.000000, + "x": 5.000000, "y": -0.000000 }, "alias": "P", @@ -275,7 +275,7 @@ "id": "9", "seqid": 10, "position": { - "x": 9.600000, + "x": 6.000000, "y": -0.000000 }, "alias": "dR", @@ -285,8 +285,8 @@ "type": "ambiguousMonomer", "id": "10", "position": { - "x": 9.600000, - "y": -1.600000 + "x": 6.000000, + "y": -1.000000 }, "seqid": 11, "alias": "Var1", diff --git a/api/tests/integration/tests/formats/ref/helm_mixed_custom.ket b/api/tests/integration/tests/formats/ref/helm_mixed_custom.ket index c9c5c64059..c3f1d20779 100644 --- a/api/tests/integration/tests/formats/ref/helm_mixed_custom.ket +++ b/api/tests/integration/tests/formats/ref/helm_mixed_custom.ket @@ -154,7 +154,7 @@ "id": "1", "position": { "x": 0.000000, - "y": -1.600000 + "y": -1.000000 }, "seqid": 2, "alias": "Var0", @@ -165,7 +165,7 @@ "id": "2", "seqid": 3, "position": { - "x": 1.600000, + "x": 1.000000, "y": -0.000000 }, "alias": "P", @@ -176,7 +176,7 @@ "id": "3", "seqid": 4, "position": { - "x": 3.200000, + "x": 2.000000, "y": -0.000000 }, "alias": "dR", @@ -186,8 +186,8 @@ "type": "ambiguousMonomer", "id": "4", "position": { - "x": 3.200000, - "y": -1.600000 + "x": 2.000000, + "y": -1.000000 }, "seqid": 5, "alias": "Var1", @@ -198,7 +198,7 @@ "id": "5", "seqid": 6, "position": { - "x": 4.800000, + "x": 3.000000, "y": -0.000000 }, "alias": "P", @@ -209,7 +209,7 @@ "id": "6", "seqid": 7, "position": { - "x": 6.400000, + "x": 4.000000, "y": -0.000000 }, "alias": "dR", @@ -219,8 +219,8 @@ "type": "ambiguousMonomer", "id": "7", "position": { - "x": 6.400000, - "y": -1.600000 + "x": 4.000000, + "y": -1.000000 }, "seqid": 8, "alias": "Var2", diff --git a/api/tests/integration/tests/formats/ref/helm_multi_char_rna.ket b/api/tests/integration/tests/formats/ref/helm_multi_char_rna.ket index 735af5a661..45a06de8eb 100644 --- a/api/tests/integration/tests/formats/ref/helm_multi_char_rna.ket +++ b/api/tests/integration/tests/formats/ref/helm_multi_char_rna.ket @@ -230,7 +230,7 @@ "seqid": 2, "position": { "x": 0.000000, - "y": -1.600000 + "y": -1.000000 }, "alias": "U", "templateId": "U___Uracil" @@ -240,7 +240,7 @@ "id": "2", "seqid": 3, "position": { - "x": 1.600000, + "x": 1.000000, "y": -0.000000 }, "alias": "P", @@ -251,7 +251,7 @@ "id": "3", "seqid": 4, "position": { - "x": 3.200000, + "x": 2.000000, "y": -0.000000 }, "alias": "R", @@ -262,8 +262,8 @@ "id": "4", "seqid": 5, "position": { - "x": 3.200000, - "y": -1.600000 + "x": 2.000000, + "y": -1.000000 }, "alias": "T", "templateId": "T___Thymine" @@ -273,7 +273,7 @@ "id": "5", "seqid": 6, "position": { - "x": 4.800000, + "x": 3.000000, "y": -0.000000 }, "alias": "P", @@ -284,7 +284,7 @@ "id": "6", "seqid": 7, "position": { - "x": 6.400000, + "x": 4.000000, "y": -0.000000 }, "alias": "R", @@ -295,8 +295,8 @@ "id": "7", "seqid": 8, "position": { - "x": 6.400000, - "y": -1.600000 + "x": 4.000000, + "y": -1.000000 }, "alias": "G", "templateId": "G___Guanine" @@ -306,7 +306,7 @@ "id": "8", "seqid": 9, "position": { - "x": 8.000000, + "x": 5.000000, "y": -0.000000 }, "alias": "P", @@ -317,7 +317,7 @@ "id": "9", "seqid": 10, "position": { - "x": 9.600000, + "x": 6.000000, "y": -0.000000 }, "alias": "R", @@ -328,8 +328,8 @@ "id": "10", "seqid": 11, "position": { - "x": 9.600000, - "y": -1.600000 + "x": 6.000000, + "y": -1.000000 }, "alias": "C", "templateId": "C___Cytosine" @@ -339,7 +339,7 @@ "id": "11", "seqid": 12, "position": { - "x": 11.200000, + "x": 7.000000, "y": -0.000000 }, "alias": "P", @@ -350,7 +350,7 @@ "id": "12", "seqid": 13, "position": { - "x": 12.800000, + "x": 8.000000, "y": -0.000000 }, "alias": "R", @@ -361,8 +361,8 @@ "id": "13", "seqid": 14, "position": { - "x": 12.800000, - "y": -1.600000 + "x": 8.000000, + "y": -1.000000 }, "alias": "daA", "templateId": "daA___N,N-dimethyl-Adenine" diff --git a/api/tests/integration/tests/formats/ref/helm_no_left_ap.ket b/api/tests/integration/tests/formats/ref/helm_no_left_ap.ket index 124442debe..dd590f0ca2 100644 --- a/api/tests/integration/tests/formats/ref/helm_no_left_ap.ket +++ b/api/tests/integration/tests/formats/ref/helm_no_left_ap.ket @@ -46,7 +46,7 @@ "id": "1", "seqid": 2, "position": { - "x": 1.600000, + "x": 1.000000, "y": -0.000000 }, "alias": "C", diff --git a/api/tests/integration/tests/formats/ref/helm_peptide.ket b/api/tests/integration/tests/formats/ref/helm_peptide.ket index 1a18756554..9a04bf48df 100644 --- a/api/tests/integration/tests/formats/ref/helm_peptide.ket +++ b/api/tests/integration/tests/formats/ref/helm_peptide.ket @@ -63,7 +63,7 @@ "id": "1", "seqid": 2, "position": { - "x": 1.600000, + "x": 1.000000, "y": -0.000000 }, "alias": "meA", @@ -74,7 +74,7 @@ "id": "2", "seqid": 3, "position": { - "x": 3.200000, + "x": 2.000000, "y": -0.000000 }, "alias": "C", diff --git a/api/tests/integration/tests/formats/ref/helm_rna_without_base.ket b/api/tests/integration/tests/formats/ref/helm_rna_without_base.ket index c2cbad54a9..1e08aacf95 100644 --- a/api/tests/integration/tests/formats/ref/helm_rna_without_base.ket +++ b/api/tests/integration/tests/formats/ref/helm_rna_without_base.ket @@ -46,7 +46,7 @@ "id": "1", "seqid": 2, "position": { - "x": 1.600000, + "x": 1.000000, "y": -0.000000 }, "alias": "P", diff --git a/api/tests/integration/tests/formats/ref/helm_simple_rna.ket b/api/tests/integration/tests/formats/ref/helm_simple_rna.ket index 1e38a13be9..2d53709939 100644 --- a/api/tests/integration/tests/formats/ref/helm_simple_rna.ket +++ b/api/tests/integration/tests/formats/ref/helm_simple_rna.ket @@ -230,7 +230,7 @@ "seqid": 2, "position": { "x": 0.000000, - "y": -1.600000 + "y": -1.000000 }, "alias": "U", "templateId": "U___Uracil" @@ -240,7 +240,7 @@ "id": "2", "seqid": 3, "position": { - "x": 1.600000, + "x": 1.000000, "y": -0.000000 }, "alias": "P", @@ -251,7 +251,7 @@ "id": "3", "seqid": 4, "position": { - "x": 3.200000, + "x": 2.000000, "y": -0.000000 }, "alias": "R", @@ -262,8 +262,8 @@ "id": "4", "seqid": 5, "position": { - "x": 3.200000, - "y": -1.600000 + "x": 2.000000, + "y": -1.000000 }, "alias": "T", "templateId": "T___Thymine" @@ -273,7 +273,7 @@ "id": "5", "seqid": 6, "position": { - "x": 4.800000, + "x": 3.000000, "y": -0.000000 }, "alias": "P", @@ -284,7 +284,7 @@ "id": "6", "seqid": 7, "position": { - "x": 6.400000, + "x": 4.000000, "y": -0.000000 }, "alias": "R", @@ -295,8 +295,8 @@ "id": "7", "seqid": 8, "position": { - "x": 6.400000, - "y": -1.600000 + "x": 4.000000, + "y": -1.000000 }, "alias": "G", "templateId": "G___Guanine" @@ -306,7 +306,7 @@ "id": "8", "seqid": 9, "position": { - "x": 8.000000, + "x": 5.000000, "y": -0.000000 }, "alias": "P", @@ -317,7 +317,7 @@ "id": "9", "seqid": 10, "position": { - "x": 9.600000, + "x": 6.000000, "y": -0.000000 }, "alias": "R", @@ -328,8 +328,8 @@ "id": "10", "seqid": 11, "position": { - "x": 9.600000, - "y": -1.600000 + "x": 6.000000, + "y": -1.000000 }, "alias": "C", "templateId": "C___Cytosine" @@ -339,7 +339,7 @@ "id": "11", "seqid": 12, "position": { - "x": 11.200000, + "x": 7.000000, "y": -0.000000 }, "alias": "P", @@ -350,7 +350,7 @@ "id": "12", "seqid": 13, "position": { - "x": 12.800000, + "x": 8.000000, "y": -0.000000 }, "alias": "R", @@ -361,8 +361,8 @@ "id": "13", "seqid": 14, "position": { - "x": 12.800000, - "y": -1.600000 + "x": 8.000000, + "y": -1.000000 }, "alias": "A", "templateId": "A___Adenine" diff --git a/api/tests/integration/tests/formats/ref/helm_smiles.ket b/api/tests/integration/tests/formats/ref/helm_smiles.ket index 20fe2239bd..98f7c5299a 100644 --- a/api/tests/integration/tests/formats/ref/helm_smiles.ket +++ b/api/tests/integration/tests/formats/ref/helm_smiles.ket @@ -97,7 +97,7 @@ "id": "1", "seqid": 2, "position": { - "x": 1.600000, + "x": 1.000000, "y": -0.000000 }, "alias": "Mod0", @@ -108,7 +108,7 @@ "id": "2", "seqid": 3, "position": { - "x": 3.200000, + "x": 2.000000, "y": -0.000000 }, "alias": "C", @@ -120,7 +120,7 @@ "seqid": 4, "position": { "x": 0.000000, - "y": -1.600000 + "y": -1.000000 }, "alias": "G", "templateId": "G___Glycine" @@ -130,8 +130,8 @@ "id": "4", "seqid": 5, "position": { - "x": 1.600000, - "y": -1.600000 + "x": 1.000000, + "y": -1.000000 }, "alias": "Mod1", "templateId": "Mod1" @@ -141,8 +141,8 @@ "id": "5", "seqid": 6, "position": { - "x": 3.200000, - "y": -1.600000 + "x": 2.000000, + "y": -1.000000 }, "alias": "C", "templateId": "C___Cysteine" diff --git a/api/tests/integration/tests/formats/ref/helm_smiles_sugar.ket b/api/tests/integration/tests/formats/ref/helm_smiles_sugar.ket index 18ae4a4a3c..a94518b786 100644 --- a/api/tests/integration/tests/formats/ref/helm_smiles_sugar.ket +++ b/api/tests/integration/tests/formats/ref/helm_smiles_sugar.ket @@ -64,7 +64,7 @@ "seqid": 2, "position": { "x": 0.000000, - "y": -1.600000 + "y": -1.000000 }, "alias": "A", "templateId": "A___Adenine" @@ -74,7 +74,7 @@ "id": "2", "seqid": 3, "position": { - "x": 1.600000, + "x": 1.000000, "y": -0.000000 }, "alias": "P", diff --git a/api/tests/integration/tests/formats/ref/idt_32moera.ket b/api/tests/integration/tests/formats/ref/idt_32moera.ket index 5a257d648e..7950a6fa70 100644 --- a/api/tests/integration/tests/formats/ref/idt_32moera.ket +++ b/api/tests/integration/tests/formats/ref/idt_32moera.ket @@ -47,7 +47,7 @@ "seqid": 0, "position": { "x": 0.000000, - "y": -1.600000 + "y": -1.000000 }, "alias": "A", "templateId": "A___Adenine" diff --git a/api/tests/integration/tests/formats/ref/idt_52moera.ket b/api/tests/integration/tests/formats/ref/idt_52moera.ket index 3e3e9e36f7..ccb75cedc4 100644 --- a/api/tests/integration/tests/formats/ref/idt_52moera.ket +++ b/api/tests/integration/tests/formats/ref/idt_52moera.ket @@ -64,7 +64,7 @@ "seqid": 0, "position": { "x": 0.000000, - "y": -1.600000 + "y": -1.000000 }, "alias": "A", "templateId": "A___Adenine" @@ -74,7 +74,7 @@ "id": "2", "seqid": 0, "position": { - "x": 1.600000, + "x": 1.000000, "y": -0.000000 }, "alias": "P", diff --git a/api/tests/integration/tests/formats/ref/idt_52moera_32moera.ket b/api/tests/integration/tests/formats/ref/idt_52moera_32moera.ket index 4c0e605ca8..2005b51de8 100644 --- a/api/tests/integration/tests/formats/ref/idt_52moera_32moera.ket +++ b/api/tests/integration/tests/formats/ref/idt_52moera_32moera.ket @@ -92,7 +92,7 @@ "seqid": 0, "position": { "x": 0.000000, - "y": -1.600000 + "y": -1.000000 }, "alias": "A", "templateId": "A___Adenine" @@ -102,7 +102,7 @@ "id": "2", "seqid": 0, "position": { - "x": 1.600000, + "x": 1.000000, "y": -0.000000 }, "alias": "P", @@ -113,7 +113,7 @@ "id": "3", "seqid": 1, "position": { - "x": 3.200000, + "x": 2.000000, "y": -0.000000 }, "alias": "MOE", @@ -124,8 +124,8 @@ "id": "4", "seqid": 1, "position": { - "x": 3.200000, - "y": -1.600000 + "x": 2.000000, + "y": -1.000000 }, "alias": "A", "templateId": "A___Adenine" diff --git a/api/tests/integration/tests/formats/ref/idt_52moera_i2moera.ket b/api/tests/integration/tests/formats/ref/idt_52moera_i2moera.ket index 1e34bc6d78..f0f48a3e88 100644 --- a/api/tests/integration/tests/formats/ref/idt_52moera_i2moera.ket +++ b/api/tests/integration/tests/formats/ref/idt_52moera_i2moera.ket @@ -106,7 +106,7 @@ "seqid": 0, "position": { "x": 0.000000, - "y": -1.600000 + "y": -1.000000 }, "alias": "A", "templateId": "A___Adenine" @@ -116,7 +116,7 @@ "id": "2", "seqid": 0, "position": { - "x": 1.600000, + "x": 1.000000, "y": -0.000000 }, "alias": "P", @@ -127,7 +127,7 @@ "id": "3", "seqid": 1, "position": { - "x": 3.200000, + "x": 2.000000, "y": -0.000000 }, "alias": "MOE", @@ -138,8 +138,8 @@ "id": "4", "seqid": 1, "position": { - "x": 3.200000, - "y": -1.600000 + "x": 2.000000, + "y": -1.000000 }, "alias": "A", "templateId": "A___Adenine" @@ -149,7 +149,7 @@ "id": "5", "seqid": 1, "position": { - "x": 4.800000, + "x": 3.000000, "y": -0.000000 }, "alias": "P", diff --git a/api/tests/integration/tests/formats/ref/idt_52moera_sp.ket b/api/tests/integration/tests/formats/ref/idt_52moera_sp.ket index c747d51966..6751915cc1 100644 --- a/api/tests/integration/tests/formats/ref/idt_52moera_sp.ket +++ b/api/tests/integration/tests/formats/ref/idt_52moera_sp.ket @@ -64,7 +64,7 @@ "seqid": 0, "position": { "x": 0.000000, - "y": -1.600000 + "y": -1.000000 }, "alias": "A", "templateId": "A___Adenine" @@ -74,7 +74,7 @@ "id": "2", "seqid": 0, "position": { - "x": 1.600000, + "x": 1.000000, "y": -0.000000 }, "alias": "sP", diff --git a/api/tests/integration/tests/formats/ref/idt_52moera_sp_32moera.ket b/api/tests/integration/tests/formats/ref/idt_52moera_sp_32moera.ket index 418f8d73d1..81cd0ec959 100644 --- a/api/tests/integration/tests/formats/ref/idt_52moera_sp_32moera.ket +++ b/api/tests/integration/tests/formats/ref/idt_52moera_sp_32moera.ket @@ -92,7 +92,7 @@ "seqid": 0, "position": { "x": 0.000000, - "y": -1.600000 + "y": -1.000000 }, "alias": "A", "templateId": "A___Adenine" @@ -102,7 +102,7 @@ "id": "2", "seqid": 0, "position": { - "x": 1.600000, + "x": 1.000000, "y": -0.000000 }, "alias": "sP", @@ -113,7 +113,7 @@ "id": "3", "seqid": 1, "position": { - "x": 3.200000, + "x": 2.000000, "y": -0.000000 }, "alias": "MOE", @@ -124,8 +124,8 @@ "id": "4", "seqid": 1, "position": { - "x": 3.200000, - "y": -1.600000 + "x": 2.000000, + "y": -1.000000 }, "alias": "A", "templateId": "A___Adenine" diff --git a/api/tests/integration/tests/formats/ref/idt_52moera_sp_i2moera_sp.ket b/api/tests/integration/tests/formats/ref/idt_52moera_sp_i2moera_sp.ket index 54994238bd..ea3652a433 100644 --- a/api/tests/integration/tests/formats/ref/idt_52moera_sp_i2moera_sp.ket +++ b/api/tests/integration/tests/formats/ref/idt_52moera_sp_i2moera_sp.ket @@ -106,7 +106,7 @@ "seqid": 0, "position": { "x": 0.000000, - "y": -1.600000 + "y": -1.000000 }, "alias": "A", "templateId": "A___Adenine" @@ -116,7 +116,7 @@ "id": "2", "seqid": 0, "position": { - "x": 1.600000, + "x": 1.000000, "y": -0.000000 }, "alias": "sP", @@ -127,7 +127,7 @@ "id": "3", "seqid": 1, "position": { - "x": 3.200000, + "x": 2.000000, "y": -0.000000 }, "alias": "MOE", @@ -138,8 +138,8 @@ "id": "4", "seqid": 1, "position": { - "x": 3.200000, - "y": -1.600000 + "x": 2.000000, + "y": -1.000000 }, "alias": "A", "templateId": "A___Adenine" @@ -149,7 +149,7 @@ "id": "5", "seqid": 1, "position": { - "x": 4.800000, + "x": 3.000000, "y": -0.000000 }, "alias": "sP", diff --git a/api/tests/integration/tests/formats/ref/idt_52moera_with_3phos.ket b/api/tests/integration/tests/formats/ref/idt_52moera_with_3phos.ket index 8698ddc6fc..25892f0f08 100644 --- a/api/tests/integration/tests/formats/ref/idt_52moera_with_3phos.ket +++ b/api/tests/integration/tests/formats/ref/idt_52moera_with_3phos.ket @@ -78,7 +78,7 @@ "seqid": 0, "position": { "x": 0.000000, - "y": -1.600000 + "y": -1.000000 }, "alias": "A", "templateId": "A___Adenine" @@ -88,7 +88,7 @@ "id": "2", "seqid": 0, "position": { - "x": 1.600000, + "x": 1.000000, "y": -0.000000 }, "alias": "P", @@ -99,7 +99,7 @@ "id": "3", "seqid": 1, "position": { - "x": 3.200000, + "x": 2.000000, "y": -0.000000 }, "alias": "P", diff --git a/api/tests/integration/tests/formats/ref/idt_bases.ket b/api/tests/integration/tests/formats/ref/idt_bases.ket index 7a20933016..e1172056bd 100644 --- a/api/tests/integration/tests/formats/ref/idt_bases.ket +++ b/api/tests/integration/tests/formats/ref/idt_bases.ket @@ -275,7 +275,7 @@ "seqid": 0, "position": { "x": 0.000000, - "y": -1.600000 + "y": -1.000000 }, "alias": "A", "templateId": "A___Adenine" @@ -285,7 +285,7 @@ "id": "2", "seqid": 0, "position": { - "x": 1.600000, + "x": 1.000000, "y": -0.000000 }, "alias": "P", @@ -296,7 +296,7 @@ "id": "3", "seqid": 1, "position": { - "x": 3.200000, + "x": 2.000000, "y": -0.000000 }, "alias": "dR", @@ -307,8 +307,8 @@ "id": "4", "seqid": 1, "position": { - "x": 3.200000, - "y": -1.600000 + "x": 2.000000, + "y": -1.000000 }, "alias": "T", "templateId": "T___Thymine" @@ -318,7 +318,7 @@ "id": "5", "seqid": 1, "position": { - "x": 4.800000, + "x": 3.000000, "y": -0.000000 }, "alias": "P", @@ -329,7 +329,7 @@ "id": "6", "seqid": 2, "position": { - "x": 6.400000, + "x": 4.000000, "y": -0.000000 }, "alias": "dR", @@ -340,8 +340,8 @@ "id": "7", "seqid": 2, "position": { - "x": 6.400000, - "y": -1.600000 + "x": 4.000000, + "y": -1.000000 }, "alias": "C", "templateId": "C___Cytosine" @@ -351,7 +351,7 @@ "id": "8", "seqid": 2, "position": { - "x": 8.000000, + "x": 5.000000, "y": -0.000000 }, "alias": "P", @@ -362,7 +362,7 @@ "id": "9", "seqid": 3, "position": { - "x": 9.600000, + "x": 6.000000, "y": -0.000000 }, "alias": "dR", @@ -373,8 +373,8 @@ "id": "10", "seqid": 3, "position": { - "x": 9.600000, - "y": -1.600000 + "x": 6.000000, + "y": -1.000000 }, "alias": "G", "templateId": "G___Guanine" @@ -384,7 +384,7 @@ "id": "11", "seqid": 3, "position": { - "x": 11.200001, + "x": 7.000000, "y": -0.000000 }, "alias": "P", @@ -395,7 +395,7 @@ "id": "12", "seqid": 4, "position": { - "x": 12.800000, + "x": 8.000000, "y": -0.000000 }, "alias": "dR", @@ -406,8 +406,8 @@ "id": "13", "seqid": 4, "position": { - "x": 12.800000, - "y": -1.600000 + "x": 8.000000, + "y": -1.000000 }, "alias": "U", "templateId": "U___Uracil" @@ -417,7 +417,7 @@ "id": "14", "seqid": 4, "position": { - "x": 14.400001, + "x": 9.000000, "y": -0.000000 }, "alias": "P", @@ -428,7 +428,7 @@ "id": "15", "seqid": 5, "position": { - "x": 16.000000, + "x": 10.000000, "y": -0.000000 }, "alias": "dR", @@ -439,8 +439,8 @@ "id": "16", "seqid": 5, "position": { - "x": 16.000000, - "y": -1.600000 + "x": 10.000000, + "y": -1.000000 }, "alias": "In", "templateId": "In___Inosine" diff --git a/api/tests/integration/tests/formats/ref/idt_i2moera.ket b/api/tests/integration/tests/formats/ref/idt_i2moera.ket index 3e3e9e36f7..ccb75cedc4 100644 --- a/api/tests/integration/tests/formats/ref/idt_i2moera.ket +++ b/api/tests/integration/tests/formats/ref/idt_i2moera.ket @@ -64,7 +64,7 @@ "seqid": 0, "position": { "x": 0.000000, - "y": -1.600000 + "y": -1.000000 }, "alias": "A", "templateId": "A___Adenine" @@ -74,7 +74,7 @@ "id": "2", "seqid": 0, "position": { - "x": 1.600000, + "x": 1.000000, "y": -0.000000 }, "alias": "P", diff --git a/api/tests/integration/tests/formats/ref/idt_i2moera_32moera.ket b/api/tests/integration/tests/formats/ref/idt_i2moera_32moera.ket index 4c0e605ca8..2005b51de8 100644 --- a/api/tests/integration/tests/formats/ref/idt_i2moera_32moera.ket +++ b/api/tests/integration/tests/formats/ref/idt_i2moera_32moera.ket @@ -92,7 +92,7 @@ "seqid": 0, "position": { "x": 0.000000, - "y": -1.600000 + "y": -1.000000 }, "alias": "A", "templateId": "A___Adenine" @@ -102,7 +102,7 @@ "id": "2", "seqid": 0, "position": { - "x": 1.600000, + "x": 1.000000, "y": -0.000000 }, "alias": "P", @@ -113,7 +113,7 @@ "id": "3", "seqid": 1, "position": { - "x": 3.200000, + "x": 2.000000, "y": -0.000000 }, "alias": "MOE", @@ -124,8 +124,8 @@ "id": "4", "seqid": 1, "position": { - "x": 3.200000, - "y": -1.600000 + "x": 2.000000, + "y": -1.000000 }, "alias": "A", "templateId": "A___Adenine" diff --git a/api/tests/integration/tests/formats/ref/idt_i2moera_sp.ket b/api/tests/integration/tests/formats/ref/idt_i2moera_sp.ket index c747d51966..6751915cc1 100644 --- a/api/tests/integration/tests/formats/ref/idt_i2moera_sp.ket +++ b/api/tests/integration/tests/formats/ref/idt_i2moera_sp.ket @@ -64,7 +64,7 @@ "seqid": 0, "position": { "x": 0.000000, - "y": -1.600000 + "y": -1.000000 }, "alias": "A", "templateId": "A___Adenine" @@ -74,7 +74,7 @@ "id": "2", "seqid": 0, "position": { - "x": 1.600000, + "x": 1.000000, "y": -0.000000 }, "alias": "sP", diff --git a/api/tests/integration/tests/formats/ref/idt_i2moera_sp_32moera.ket b/api/tests/integration/tests/formats/ref/idt_i2moera_sp_32moera.ket index 418f8d73d1..81cd0ec959 100644 --- a/api/tests/integration/tests/formats/ref/idt_i2moera_sp_32moera.ket +++ b/api/tests/integration/tests/formats/ref/idt_i2moera_sp_32moera.ket @@ -92,7 +92,7 @@ "seqid": 0, "position": { "x": 0.000000, - "y": -1.600000 + "y": -1.000000 }, "alias": "A", "templateId": "A___Adenine" @@ -102,7 +102,7 @@ "id": "2", "seqid": 0, "position": { - "x": 1.600000, + "x": 1.000000, "y": -0.000000 }, "alias": "sP", @@ -113,7 +113,7 @@ "id": "3", "seqid": 1, "position": { - "x": 3.200000, + "x": 2.000000, "y": -0.000000 }, "alias": "MOE", @@ -124,8 +124,8 @@ "id": "4", "seqid": 1, "position": { - "x": 3.200000, - "y": -1.600000 + "x": 2.000000, + "y": -1.000000 }, "alias": "A", "templateId": "A___Adenine" diff --git a/api/tests/integration/tests/formats/ref/idt_i2moera_t.ket b/api/tests/integration/tests/formats/ref/idt_i2moera_t.ket index 561b74e9cd..879254e643 100644 --- a/api/tests/integration/tests/formats/ref/idt_i2moera_t.ket +++ b/api/tests/integration/tests/formats/ref/idt_i2moera_t.ket @@ -98,7 +98,7 @@ "seqid": 0, "position": { "x": 0.000000, - "y": -1.600000 + "y": -1.000000 }, "alias": "A", "templateId": "A___Adenine" @@ -108,7 +108,7 @@ "id": "2", "seqid": 0, "position": { - "x": 1.600000, + "x": 1.000000, "y": -0.000000 }, "alias": "P", @@ -119,7 +119,7 @@ "id": "3", "seqid": 1, "position": { - "x": 3.200000, + "x": 2.000000, "y": -0.000000 }, "alias": "dR", @@ -130,8 +130,8 @@ "id": "4", "seqid": 1, "position": { - "x": 3.200000, - "y": -1.600000 + "x": 2.000000, + "y": -1.000000 }, "alias": "T", "templateId": "T___Thymine" diff --git a/api/tests/integration/tests/formats/ref/idt_many_molecules.ket b/api/tests/integration/tests/formats/ref/idt_many_molecules.ket index 942c295cc9..a728fd3eb2 100644 --- a/api/tests/integration/tests/formats/ref/idt_many_molecules.ket +++ b/api/tests/integration/tests/formats/ref/idt_many_molecules.ket @@ -584,7 +584,7 @@ "seqid": 0, "position": { "x": 0.000000, - "y": -1.600000 + "y": -1.000000 }, "alias": "A", "templateId": "A___Adenine" @@ -594,7 +594,7 @@ "id": "2", "seqid": 0, "position": { - "x": 1.600000, + "x": 1.000000, "y": -0.000000 }, "alias": "P", @@ -605,7 +605,7 @@ "id": "3", "seqid": 1, "position": { - "x": 3.200000, + "x": 2.000000, "y": -0.000000 }, "alias": "dR", @@ -616,8 +616,8 @@ "id": "4", "seqid": 1, "position": { - "x": 3.200000, - "y": -1.600000 + "x": 2.000000, + "y": -1.000000 }, "alias": "C", "templateId": "C___Cytosine" @@ -627,7 +627,7 @@ "id": "5", "seqid": 1, "position": { - "x": 4.800000, + "x": 3.000000, "y": -0.000000 }, "alias": "P", @@ -638,7 +638,7 @@ "id": "6", "seqid": 2, "position": { - "x": 6.400000, + "x": 4.000000, "y": -0.000000 }, "alias": "dR", @@ -649,8 +649,8 @@ "id": "7", "seqid": 2, "position": { - "x": 6.400000, - "y": -1.600000 + "x": 4.000000, + "y": -1.000000 }, "alias": "T", "templateId": "T___Thymine" @@ -660,7 +660,7 @@ "id": "8", "seqid": 2, "position": { - "x": 8.000000, + "x": 5.000000, "y": -0.000000 }, "alias": "P", @@ -671,7 +671,7 @@ "id": "9", "seqid": 3, "position": { - "x": 9.600000, + "x": 6.000000, "y": -0.000000 }, "alias": "dR", @@ -682,8 +682,8 @@ "id": "10", "seqid": 3, "position": { - "x": 9.600000, - "y": -1.600000 + "x": 6.000000, + "y": -1.000000 }, "alias": "G", "templateId": "G___Guanine" @@ -694,7 +694,7 @@ "seqid": 0, "position": { "x": 0.000000, - "y": -3.200000 + "y": -2.000000 }, "alias": "MOE", "templateId": "MOE___2'-O-Methoxyethyl ribose" @@ -705,7 +705,7 @@ "seqid": 0, "position": { "x": 0.000000, - "y": -4.800000 + "y": -3.000000 }, "alias": "A", "templateId": "A___Adenine" @@ -715,8 +715,8 @@ "id": "13", "seqid": 0, "position": { - "x": 1.600000, - "y": -3.200000 + "x": 1.000000, + "y": -2.000000 }, "alias": "sP", "templateId": "sP___Phosporothioate" @@ -726,8 +726,8 @@ "id": "14", "seqid": 1, "position": { - "x": 3.200000, - "y": -3.200000 + "x": 2.000000, + "y": -2.000000 }, "alias": "dR", "templateId": "dR___Deoxy-Ribose" @@ -737,8 +737,8 @@ "id": "15", "seqid": 1, "position": { - "x": 3.200000, - "y": -4.800000 + "x": 2.000000, + "y": -3.000000 }, "alias": "A", "templateId": "A___Adenine" @@ -748,8 +748,8 @@ "id": "16", "seqid": 1, "position": { - "x": 4.800000, - "y": -3.200000 + "x": 3.000000, + "y": -2.000000 }, "alias": "P", "templateId": "P___Phosphate" @@ -759,8 +759,8 @@ "id": "17", "seqid": 2, "position": { - "x": 6.400000, - "y": -3.200000 + "x": 4.000000, + "y": -2.000000 }, "alias": "dR", "templateId": "dR___Deoxy-Ribose" @@ -770,8 +770,8 @@ "id": "18", "seqid": 2, "position": { - "x": 6.400000, - "y": -4.800000 + "x": 4.000000, + "y": -3.000000 }, "alias": "U", "templateId": "U___Uracil" @@ -781,8 +781,8 @@ "id": "19", "seqid": 2, "position": { - "x": 8.000000, - "y": -3.200000 + "x": 5.000000, + "y": -2.000000 }, "alias": "P", "templateId": "P___Phosphate" @@ -793,7 +793,7 @@ "seqid": 0, "position": { "x": 0.000000, - "y": -6.400000 + "y": -4.000000 }, "alias": "dR", "templateId": "dR___Deoxy-Ribose" @@ -804,7 +804,7 @@ "seqid": 0, "position": { "x": 0.000000, - "y": -8.000000 + "y": -5.000000 }, "alias": "A", "templateId": "A___Adenine" @@ -814,8 +814,8 @@ "id": "22", "seqid": 0, "position": { - "x": 1.600000, - "y": -6.400000 + "x": 1.000000, + "y": -4.000000 }, "alias": "P", "templateId": "P___Phosphate" @@ -825,8 +825,8 @@ "id": "23", "seqid": 1, "position": { - "x": 3.200000, - "y": -6.400000 + "x": 2.000000, + "y": -4.000000 }, "alias": "dR", "templateId": "dR___Deoxy-Ribose" @@ -836,8 +836,8 @@ "id": "24", "seqid": 1, "position": { - "x": 3.200000, - "y": -8.000000 + "x": 2.000000, + "y": -5.000000 }, "alias": "C", "templateId": "C___Cytosine" @@ -847,8 +847,8 @@ "id": "25", "seqid": 1, "position": { - "x": 4.800000, - "y": -6.400000 + "x": 3.000000, + "y": -4.000000 }, "alias": "P", "templateId": "P___Phosphate" @@ -858,8 +858,8 @@ "id": "26", "seqid": 2, "position": { - "x": 6.400000, - "y": -6.400000 + "x": 4.000000, + "y": -4.000000 }, "alias": "MOE", "templateId": "MOE___2'-O-Methoxyethyl ribose" @@ -869,8 +869,8 @@ "id": "27", "seqid": 2, "position": { - "x": 6.400000, - "y": -8.000000 + "x": 4.000000, + "y": -5.000000 }, "alias": "5meC", "templateId": "5meC___5-methyl-cytidine" @@ -880,8 +880,8 @@ "id": "28", "seqid": 2, "position": { - "x": 8.000000, - "y": -6.400000 + "x": 5.000000, + "y": -4.000000 }, "alias": "P", "templateId": "P___Phosphate" @@ -891,8 +891,8 @@ "id": "29", "seqid": 3, "position": { - "x": 9.600000, - "y": -6.400000 + "x": 6.000000, + "y": -4.000000 }, "alias": "P", "templateId": "P___Phosphate" @@ -903,7 +903,7 @@ "seqid": 0, "position": { "x": 0.000000, - "y": -9.600000 + "y": -6.000000 }, "alias": "dR", "templateId": "dR___Deoxy-Ribose" @@ -914,7 +914,7 @@ "seqid": 0, "position": { "x": 0.000000, - "y": -11.200001 + "y": -7.000000 }, "alias": "T", "templateId": "T___Thymine" @@ -924,8 +924,8 @@ "id": "32", "seqid": 0, "position": { - "x": 1.600000, - "y": -9.600000 + "x": 1.000000, + "y": -6.000000 }, "alias": "P", "templateId": "P___Phosphate" @@ -935,8 +935,8 @@ "id": "33", "seqid": 1, "position": { - "x": 3.200000, - "y": -9.600000 + "x": 2.000000, + "y": -6.000000 }, "alias": "dR", "templateId": "dR___Deoxy-Ribose" @@ -946,8 +946,8 @@ "id": "34", "seqid": 1, "position": { - "x": 3.200000, - "y": -11.200001 + "x": 2.000000, + "y": -7.000000 }, "alias": "A", "templateId": "A___Adenine" @@ -957,8 +957,8 @@ "id": "35", "seqid": 1, "position": { - "x": 4.800000, - "y": -9.600000 + "x": 3.000000, + "y": -6.000000 }, "alias": "P", "templateId": "P___Phosphate" @@ -968,8 +968,8 @@ "id": "36", "seqid": 2, "position": { - "x": 6.400000, - "y": -9.600000 + "x": 4.000000, + "y": -6.000000 }, "alias": "dR", "templateId": "dR___Deoxy-Ribose" @@ -979,8 +979,8 @@ "id": "37", "seqid": 2, "position": { - "x": 6.400000, - "y": -11.200001 + "x": 4.000000, + "y": -7.000000 }, "alias": "C", "templateId": "C___Cytosine" @@ -990,8 +990,8 @@ "id": "38", "seqid": 2, "position": { - "x": 8.000000, - "y": -9.600000 + "x": 5.000000, + "y": -6.000000 }, "alias": "P", "templateId": "P___Phosphate" @@ -1001,8 +1001,8 @@ "id": "39", "seqid": 3, "position": { - "x": 9.600000, - "y": -9.600000 + "x": 6.000000, + "y": -6.000000 }, "alias": "dR", "templateId": "dR___Deoxy-Ribose" @@ -1012,8 +1012,8 @@ "id": "40", "seqid": 3, "position": { - "x": 9.600000, - "y": -11.200001 + "x": 6.000000, + "y": -7.000000 }, "alias": "G", "templateId": "G___Guanine" diff --git a/api/tests/integration/tests/formats/ref/idt_mixed.ket b/api/tests/integration/tests/formats/ref/idt_mixed.ket index d0cf534bbd..fe0153d030 100644 --- a/api/tests/integration/tests/formats/ref/idt_mixed.ket +++ b/api/tests/integration/tests/formats/ref/idt_mixed.ket @@ -173,7 +173,7 @@ "id": "1", "seqid": 1, "position": { - "x": 1.600000, + "x": 1.000000, "y": -0.000000 }, "alias": "LR", @@ -184,8 +184,8 @@ "id": "2", "seqid": 1, "position": { - "x": 1.600000, - "y": -1.600000 + "x": 1.000000, + "y": -1.000000 }, "alias": "A", "templateId": "A___Adenine" @@ -195,7 +195,7 @@ "id": "3", "seqid": 1, "position": { - "x": 3.200000, + "x": 2.000000, "y": -0.000000 }, "alias": "sP", @@ -206,7 +206,7 @@ "id": "4", "seqid": 2, "position": { - "x": 4.800000, + "x": 3.000000, "y": -0.000000 }, "alias": "MOE", @@ -217,8 +217,8 @@ "id": "5", "seqid": 2, "position": { - "x": 4.800000, - "y": -1.600000 + "x": 3.000000, + "y": -1.000000 }, "alias": "A", "templateId": "A___Adenine" @@ -228,7 +228,7 @@ "id": "6", "seqid": 2, "position": { - "x": 6.400000, + "x": 4.000000, "y": -0.000000 }, "alias": "sP", @@ -239,7 +239,7 @@ "id": "7", "seqid": 3, "position": { - "x": 8.000000, + "x": 5.000000, "y": -0.000000 }, "alias": "R", @@ -250,8 +250,8 @@ "id": "8", "seqid": 3, "position": { - "x": 8.000000, - "y": -1.600000 + "x": 5.000000, + "y": -1.000000 }, "alias": "G", "templateId": "G___Guanine" @@ -261,7 +261,7 @@ "id": "9", "seqid": 3, "position": { - "x": 9.600000, + "x": 6.000000, "y": -0.000000 }, "alias": "P", diff --git a/api/tests/integration/tests/formats/ref/idt_mixed_custom.ket b/api/tests/integration/tests/formats/ref/idt_mixed_custom.ket index 5ba0d1cf0d..fe58232512 100644 --- a/api/tests/integration/tests/formats/ref/idt_mixed_custom.ket +++ b/api/tests/integration/tests/formats/ref/idt_mixed_custom.ket @@ -148,7 +148,7 @@ "id": "1", "position": { "x": 0.000000, - "y": -1.600000 + "y": -1.000000 }, "seqid": 0, "alias": "(N1)", @@ -159,7 +159,7 @@ "id": "2", "seqid": 0, "position": { - "x": 1.600000, + "x": 1.000000, "y": -0.000000 }, "alias": "P", @@ -170,7 +170,7 @@ "id": "3", "seqid": 1, "position": { - "x": 3.200000, + "x": 2.000000, "y": -0.000000 }, "alias": "dR", @@ -180,8 +180,8 @@ "type": "ambiguousMonomer", "id": "4", "position": { - "x": 3.200000, - "y": -1.600000 + "x": 2.000000, + "y": -1.000000 }, "seqid": 1, "alias": "(N1)", @@ -192,7 +192,7 @@ "id": "5", "seqid": 1, "position": { - "x": 4.800000, + "x": 3.000000, "y": -0.000000 }, "alias": "P", @@ -203,7 +203,7 @@ "id": "6", "seqid": 2, "position": { - "x": 6.400000, + "x": 4.000000, "y": -0.000000 }, "alias": "dR", @@ -213,8 +213,8 @@ "type": "ambiguousMonomer", "id": "7", "position": { - "x": 6.400000, - "y": -1.600000 + "x": 4.000000, + "y": -1.000000 }, "seqid": 2, "alias": "N", diff --git a/api/tests/integration/tests/formats/ref/idt_mixed_std.ket b/api/tests/integration/tests/formats/ref/idt_mixed_std.ket index 015f0653dc..b5772f2c54 100644 --- a/api/tests/integration/tests/formats/ref/idt_mixed_std.ket +++ b/api/tests/integration/tests/formats/ref/idt_mixed_std.ket @@ -188,7 +188,7 @@ "seqid": 0, "position": { "x": 0.000000, - "y": -1.600000 + "y": -1.000000 }, "alias": "A", "templateId": "A___Adenine" @@ -198,7 +198,7 @@ "id": "2", "seqid": 0, "position": { - "x": 1.600000, + "x": 1.000000, "y": -0.000000 }, "alias": "P", @@ -209,7 +209,7 @@ "id": "3", "seqid": 1, "position": { - "x": 3.200000, + "x": 2.000000, "y": -0.000000 }, "alias": "dR", @@ -219,8 +219,8 @@ "type": "ambiguousMonomer", "id": "4", "position": { - "x": 3.200000, - "y": -1.600000 + "x": 2.000000, + "y": -1.000000 }, "seqid": 1, "alias": "R", @@ -231,7 +231,7 @@ "id": "5", "seqid": 1, "position": { - "x": 4.800000, + "x": 3.000000, "y": -0.000000 }, "alias": "P", @@ -242,7 +242,7 @@ "id": "6", "seqid": 2, "position": { - "x": 6.400000, + "x": 4.000000, "y": -0.000000 }, "alias": "dR", @@ -253,8 +253,8 @@ "id": "7", "seqid": 2, "position": { - "x": 6.400000, - "y": -1.600000 + "x": 4.000000, + "y": -1.000000 }, "alias": "A", "templateId": "A___Adenine" @@ -264,7 +264,7 @@ "id": "8", "seqid": 2, "position": { - "x": 8.000000, + "x": 5.000000, "y": -0.000000 }, "alias": "P", @@ -275,7 +275,7 @@ "id": "9", "seqid": 3, "position": { - "x": 9.600000, + "x": 6.000000, "y": -0.000000 }, "alias": "dR", @@ -285,8 +285,8 @@ "type": "ambiguousMonomer", "id": "10", "position": { - "x": 9.600000, - "y": -1.600000 + "x": 6.000000, + "y": -1.000000 }, "seqid": 3, "alias": "S", diff --git a/api/tests/integration/tests/formats/ref/idt_mod_phosphates.ket b/api/tests/integration/tests/formats/ref/idt_mod_phosphates.ket index ab08b2b7d1..e7bf9a0d9e 100644 --- a/api/tests/integration/tests/formats/ref/idt_mod_phosphates.ket +++ b/api/tests/integration/tests/formats/ref/idt_mod_phosphates.ket @@ -91,7 +91,7 @@ "id": "1", "seqid": 1, "position": { - "x": 1.600000, + "x": 1.000000, "y": -0.000000 }, "alias": "MOE", @@ -102,8 +102,8 @@ "id": "2", "seqid": 1, "position": { - "x": 1.600000, - "y": -1.600000 + "x": 1.000000, + "y": -1.000000 }, "alias": "5meC", "templateId": "5meC___5-methyl-cytidine" @@ -113,7 +113,7 @@ "id": "3", "seqid": 1, "position": { - "x": 3.200000, + "x": 2.000000, "y": -0.000000 }, "alias": "P", @@ -124,7 +124,7 @@ "id": "4", "seqid": 2, "position": { - "x": 4.800000, + "x": 3.000000, "y": -0.000000 }, "alias": "P", diff --git a/api/tests/integration/tests/formats/ref/idt_modifications.ket b/api/tests/integration/tests/formats/ref/idt_modifications.ket index e0f1c6b198..59b45dd7e9 100644 --- a/api/tests/integration/tests/formats/ref/idt_modifications.ket +++ b/api/tests/integration/tests/formats/ref/idt_modifications.ket @@ -137,7 +137,7 @@ "seqid": 0, "position": { "x": 0.000000, - "y": -1.600000 + "y": -1.000000 }, "alias": "A", "templateId": "A___Adenine" @@ -147,7 +147,7 @@ "id": "2", "seqid": 0, "position": { - "x": 1.600000, + "x": 1.000000, "y": -0.000000 }, "alias": "sP", @@ -158,7 +158,7 @@ "id": "3", "seqid": 1, "position": { - "x": 3.200000, + "x": 2.000000, "y": -0.000000 }, "alias": "MOE", @@ -169,8 +169,8 @@ "id": "4", "seqid": 1, "position": { - "x": 3.200000, - "y": -1.600000 + "x": 2.000000, + "y": -1.000000 }, "alias": "A", "templateId": "A___Adenine" @@ -180,7 +180,7 @@ "id": "5", "seqid": 1, "position": { - "x": 4.800000, + "x": 3.000000, "y": -0.000000 }, "alias": "P", @@ -191,7 +191,7 @@ "id": "6", "seqid": 2, "position": { - "x": 6.400000, + "x": 4.000000, "y": -0.000000 }, "alias": "MOE", @@ -202,8 +202,8 @@ "id": "7", "seqid": 2, "position": { - "x": 6.400000, - "y": -1.600000 + "x": 4.000000, + "y": -1.000000 }, "alias": "A", "templateId": "A___Adenine" diff --git a/api/tests/integration/tests/formats/ref/idt_prefix_suffix.ket b/api/tests/integration/tests/formats/ref/idt_prefix_suffix.ket index 2e0dd78e89..36c6060480 100644 --- a/api/tests/integration/tests/formats/ref/idt_prefix_suffix.ket +++ b/api/tests/integration/tests/formats/ref/idt_prefix_suffix.ket @@ -329,7 +329,7 @@ "seqid": 0, "position": { "x": 0.000000, - "y": -1.600000 + "y": -1.000000 }, "alias": "A", "templateId": "A___Adenine" @@ -339,7 +339,7 @@ "id": "2", "seqid": 0, "position": { - "x": 1.600000, + "x": 1.000000, "y": -0.000000 }, "alias": "sP", @@ -350,7 +350,7 @@ "id": "3", "seqid": 1, "position": { - "x": 3.200000, + "x": 2.000000, "y": -0.000000 }, "alias": "R", @@ -361,8 +361,8 @@ "id": "4", "seqid": 1, "position": { - "x": 3.200000, - "y": -1.600000 + "x": 2.000000, + "y": -1.000000 }, "alias": "T", "templateId": "T___Thymine" @@ -372,7 +372,7 @@ "id": "5", "seqid": 1, "position": { - "x": 4.800000, + "x": 3.000000, "y": -0.000000 }, "alias": "sP", @@ -383,7 +383,7 @@ "id": "6", "seqid": 2, "position": { - "x": 6.400000, + "x": 4.000000, "y": -0.000000 }, "alias": "LR", @@ -394,8 +394,8 @@ "id": "7", "seqid": 2, "position": { - "x": 6.400000, - "y": -1.600000 + "x": 4.000000, + "y": -1.000000 }, "alias": "C", "templateId": "C___Cytosine" @@ -405,7 +405,7 @@ "id": "8", "seqid": 2, "position": { - "x": 8.000000, + "x": 5.000000, "y": -0.000000 }, "alias": "sP", @@ -416,7 +416,7 @@ "id": "9", "seqid": 3, "position": { - "x": 9.600000, + "x": 6.000000, "y": -0.000000 }, "alias": "dR", @@ -427,8 +427,8 @@ "id": "10", "seqid": 3, "position": { - "x": 9.600000, - "y": -1.600000 + "x": 6.000000, + "y": -1.000000 }, "alias": "G", "templateId": "G___Guanine" @@ -438,7 +438,7 @@ "id": "11", "seqid": 3, "position": { - "x": 11.200001, + "x": 7.000000, "y": -0.000000 }, "alias": "sP", @@ -449,7 +449,7 @@ "id": "12", "seqid": 4, "position": { - "x": 12.800000, + "x": 8.000000, "y": -0.000000 }, "alias": "LR", @@ -460,8 +460,8 @@ "id": "13", "seqid": 4, "position": { - "x": 12.800000, - "y": -1.600000 + "x": 8.000000, + "y": -1.000000 }, "alias": "U", "templateId": "U___Uracil" @@ -471,7 +471,7 @@ "id": "14", "seqid": 4, "position": { - "x": 14.400001, + "x": 9.000000, "y": -0.000000 }, "alias": "P", @@ -482,7 +482,7 @@ "id": "15", "seqid": 5, "position": { - "x": 16.000000, + "x": 10.000000, "y": -0.000000 }, "alias": "R", @@ -493,8 +493,8 @@ "id": "16", "seqid": 5, "position": { - "x": 16.000000, - "y": -1.600000 + "x": 10.000000, + "y": -1.000000 }, "alias": "In", "templateId": "In___Inosine" @@ -504,7 +504,7 @@ "id": "17", "seqid": 5, "position": { - "x": 17.600000, + "x": 11.000000, "y": -0.000000 }, "alias": "P", @@ -515,7 +515,7 @@ "id": "18", "seqid": 6, "position": { - "x": 19.200001, + "x": 12.000000, "y": -0.000000 }, "alias": "mR", @@ -526,8 +526,8 @@ "id": "19", "seqid": 6, "position": { - "x": 19.200001, - "y": -1.600000 + "x": 12.000000, + "y": -1.000000 }, "alias": "A", "templateId": "A___Adenine" diff --git a/api/tests/integration/tests/formats/ref/idt_rna_dna_mixed_custom.ket b/api/tests/integration/tests/formats/ref/idt_rna_dna_mixed_custom.ket index 86760e2c57..3ae74b2caa 100644 --- a/api/tests/integration/tests/formats/ref/idt_rna_dna_mixed_custom.ket +++ b/api/tests/integration/tests/formats/ref/idt_rna_dna_mixed_custom.ket @@ -100,7 +100,7 @@ "id": "1", "position": { "x": 0.000000, - "y": -1.600000 + "y": -1.000000 }, "seqid": 0, "alias": "(R1)", @@ -111,7 +111,7 @@ "id": "2", "seqid": 0, "position": { - "x": 1.600000, + "x": 1.000000, "y": -0.000000 }, "alias": "P", @@ -122,7 +122,7 @@ "id": "3", "seqid": 1, "position": { - "x": 3.200000, + "x": 2.000000, "y": -0.000000 }, "alias": "dR", @@ -132,8 +132,8 @@ "type": "ambiguousMonomer", "id": "4", "position": { - "x": 3.200000, - "y": -1.600000 + "x": 2.000000, + "y": -1.000000 }, "seqid": 1, "alias": "(R1)", diff --git a/api/tests/integration/tests/formats/ref/idt_single_nucleoside.ket b/api/tests/integration/tests/formats/ref/idt_single_nucleoside.ket index 1a4d6dd2bc..1dfc487465 100644 --- a/api/tests/integration/tests/formats/ref/idt_single_nucleoside.ket +++ b/api/tests/integration/tests/formats/ref/idt_single_nucleoside.ket @@ -47,7 +47,7 @@ "seqid": 0, "position": { "x": 0.000000, - "y": -1.600000 + "y": -1.000000 }, "alias": "A", "templateId": "A___Adenine" diff --git a/api/tests/integration/tests/formats/ref/idt_std_phosphates.ket b/api/tests/integration/tests/formats/ref/idt_std_phosphates.ket index 4e4d6990cf..0a4c001d24 100644 --- a/api/tests/integration/tests/formats/ref/idt_std_phosphates.ket +++ b/api/tests/integration/tests/formats/ref/idt_std_phosphates.ket @@ -167,7 +167,7 @@ "id": "1", "seqid": 1, "position": { - "x": 1.600000, + "x": 1.000000, "y": -0.000000 }, "alias": "dR", @@ -178,8 +178,8 @@ "id": "2", "seqid": 1, "position": { - "x": 1.600000, - "y": -1.600000 + "x": 1.000000, + "y": -1.000000 }, "alias": "A", "templateId": "A___Adenine" @@ -189,7 +189,7 @@ "id": "3", "seqid": 1, "position": { - "x": 3.200000, + "x": 2.000000, "y": -0.000000 }, "alias": "P", @@ -200,7 +200,7 @@ "id": "4", "seqid": 2, "position": { - "x": 4.800000, + "x": 3.000000, "y": -0.000000 }, "alias": "dR", @@ -211,8 +211,8 @@ "id": "5", "seqid": 2, "position": { - "x": 4.800000, - "y": -1.600000 + "x": 3.000000, + "y": -1.000000 }, "alias": "T", "templateId": "T___Thymine" @@ -222,7 +222,7 @@ "id": "6", "seqid": 2, "position": { - "x": 6.400000, + "x": 4.000000, "y": -0.000000 }, "alias": "P", @@ -233,7 +233,7 @@ "id": "7", "seqid": 3, "position": { - "x": 8.000000, + "x": 5.000000, "y": -0.000000 }, "alias": "dR", @@ -244,8 +244,8 @@ "id": "8", "seqid": 3, "position": { - "x": 8.000000, - "y": -1.600000 + "x": 5.000000, + "y": -1.000000 }, "alias": "G", "templateId": "G___Guanine" @@ -255,7 +255,7 @@ "id": "9", "seqid": 3, "position": { - "x": 9.600000, + "x": 6.000000, "y": -0.000000 }, "alias": "P", diff --git a/api/tests/integration/tests/formats/ref/idt_t_i2moera.ket b/api/tests/integration/tests/formats/ref/idt_t_i2moera.ket index 8ad457e990..c61170c128 100644 --- a/api/tests/integration/tests/formats/ref/idt_t_i2moera.ket +++ b/api/tests/integration/tests/formats/ref/idt_t_i2moera.ket @@ -112,7 +112,7 @@ "seqid": 0, "position": { "x": 0.000000, - "y": -1.600000 + "y": -1.000000 }, "alias": "T", "templateId": "T___Thymine" @@ -122,7 +122,7 @@ "id": "2", "seqid": 0, "position": { - "x": 1.600000, + "x": 1.000000, "y": -0.000000 }, "alias": "P", @@ -133,7 +133,7 @@ "id": "3", "seqid": 1, "position": { - "x": 3.200000, + "x": 2.000000, "y": -0.000000 }, "alias": "MOE", @@ -144,8 +144,8 @@ "id": "4", "seqid": 1, "position": { - "x": 3.200000, - "y": -1.600000 + "x": 2.000000, + "y": -1.000000 }, "alias": "A", "templateId": "A___Adenine" @@ -155,7 +155,7 @@ "id": "5", "seqid": 1, "position": { - "x": 4.800000, + "x": 3.000000, "y": -0.000000 }, "alias": "P", diff --git a/api/tests/integration/tests/formats/ref/idt_unresolved.ket b/api/tests/integration/tests/formats/ref/idt_unresolved.ket index 48e037e0bc..5eac1c04d2 100644 --- a/api/tests/integration/tests/formats/ref/idt_unresolved.ket +++ b/api/tests/integration/tests/formats/ref/idt_unresolved.ket @@ -46,7 +46,7 @@ "id": "1", "seqid": 1, "position": { - "x": 1.600000, + "x": 1.000000, "y": -0.000000 }, "alias": "unr2", diff --git a/api/tests/integration/tests/formats/ref/idt_unresolved_many.ket b/api/tests/integration/tests/formats/ref/idt_unresolved_many.ket index 5801d07455..bca41dd547 100644 --- a/api/tests/integration/tests/formats/ref/idt_unresolved_many.ket +++ b/api/tests/integration/tests/formats/ref/idt_unresolved_many.ket @@ -409,7 +409,7 @@ "id": "1", "seqid": 1, "position": { - "x": 1.600000, + "x": 1.000000, "y": -0.000000 }, "alias": "dR", @@ -420,8 +420,8 @@ "id": "2", "seqid": 1, "position": { - "x": 1.600000, - "y": -1.600000 + "x": 1.000000, + "y": -1.000000 }, "alias": "A", "templateId": "A___Adenine" @@ -431,7 +431,7 @@ "id": "3", "seqid": 1, "position": { - "x": 3.200000, + "x": 2.000000, "y": -0.000000 }, "alias": "P", @@ -442,7 +442,7 @@ "id": "4", "seqid": 2, "position": { - "x": 4.800000, + "x": 3.000000, "y": -0.000000 }, "alias": "unr1", @@ -453,7 +453,7 @@ "id": "5", "seqid": 3, "position": { - "x": 6.400000, + "x": 4.000000, "y": -0.000000 }, "alias": "dR", @@ -464,8 +464,8 @@ "id": "6", "seqid": 3, "position": { - "x": 6.400000, - "y": -1.600000 + "x": 4.000000, + "y": -1.000000 }, "alias": "C", "templateId": "C___Cytosine" @@ -475,7 +475,7 @@ "id": "7", "seqid": 3, "position": { - "x": 8.000000, + "x": 5.000000, "y": -0.000000 }, "alias": "P", @@ -486,7 +486,7 @@ "id": "8", "seqid": 4, "position": { - "x": 9.600000, + "x": 6.000000, "y": -0.000000 }, "alias": "unr2", @@ -497,7 +497,7 @@ "id": "9", "seqid": 5, "position": { - "x": 11.200000, + "x": 7.000000, "y": -0.000000 }, "alias": "dR", @@ -508,8 +508,8 @@ "id": "10", "seqid": 5, "position": { - "x": 11.200000, - "y": -1.600000 + "x": 7.000000, + "y": -1.000000 }, "alias": "A", "templateId": "A___Adenine" @@ -519,7 +519,7 @@ "id": "11", "seqid": 5, "position": { - "x": 12.800000, + "x": 8.000000, "y": -0.000000 }, "alias": "P", @@ -530,7 +530,7 @@ "id": "12", "seqid": 6, "position": { - "x": 14.400001, + "x": 9.000000, "y": -0.000000 }, "alias": "dR", @@ -541,8 +541,8 @@ "id": "13", "seqid": 6, "position": { - "x": 14.400001, - "y": -1.600000 + "x": 9.000000, + "y": -1.000000 }, "alias": "C", "templateId": "C___Cytosine" @@ -552,7 +552,7 @@ "id": "14", "seqid": 6, "position": { - "x": 16.000000, + "x": 10.000000, "y": -0.000000 }, "alias": "P", @@ -563,7 +563,7 @@ "id": "15", "seqid": 7, "position": { - "x": 17.600000, + "x": 11.000000, "y": -0.000000 }, "alias": "dR", @@ -574,8 +574,8 @@ "id": "16", "seqid": 7, "position": { - "x": 17.600000, - "y": -1.600000 + "x": 11.000000, + "y": -1.000000 }, "alias": "T", "templateId": "T___Thymine" @@ -585,7 +585,7 @@ "id": "17", "seqid": 7, "position": { - "x": 19.200001, + "x": 12.000000, "y": -0.000000 }, "alias": "P", @@ -596,7 +596,7 @@ "id": "18", "seqid": 8, "position": { - "x": 20.800001, + "x": 13.000000, "y": -0.000000 }, "alias": "dR", @@ -607,8 +607,8 @@ "id": "19", "seqid": 8, "position": { - "x": 20.800001, - "y": -1.600000 + "x": 13.000000, + "y": -1.000000 }, "alias": "G", "templateId": "G___Guanine" @@ -618,7 +618,7 @@ "id": "20", "seqid": 8, "position": { - "x": 22.400002, + "x": 14.000000, "y": -0.000000 }, "alias": "P", @@ -629,7 +629,7 @@ "id": "21", "seqid": 9, "position": { - "x": 24.000000, + "x": 15.000000, "y": -0.000000 }, "alias": "unr3", @@ -640,7 +640,7 @@ "id": "22", "seqid": 10, "position": { - "x": 25.600000, + "x": 16.000000, "y": -0.000000 }, "alias": "dR", @@ -651,8 +651,8 @@ "id": "23", "seqid": 10, "position": { - "x": 25.600000, - "y": -1.600000 + "x": 16.000000, + "y": -1.000000 }, "alias": "G", "templateId": "G___Guanine" @@ -662,7 +662,7 @@ "id": "24", "seqid": 10, "position": { - "x": 27.200001, + "x": 17.000000, "y": -0.000000 }, "alias": "P", @@ -673,7 +673,7 @@ "id": "25", "seqid": 11, "position": { - "x": 28.800001, + "x": 18.000000, "y": -0.000000 }, "alias": "unr4", diff --git a/api/tests/integration/tests/formats/ref/idt_unsplit.ket b/api/tests/integration/tests/formats/ref/idt_unsplit.ket index 99095035c7..841324bb7d 100644 --- a/api/tests/integration/tests/formats/ref/idt_unsplit.ket +++ b/api/tests/integration/tests/formats/ref/idt_unsplit.ket @@ -57,7 +57,7 @@ "id": "1", "seqid": 1, "position": { - "x": 1.600000, + "x": 1.000000, "y": -0.000000 }, "alias": "UNSPLIT", @@ -68,7 +68,7 @@ "id": "2", "seqid": 2, "position": { - "x": 3.200000, + "x": 2.000000, "y": -0.000000 }, "alias": "UNSPLIT", diff --git a/api/tests/integration/tests/formats/ref/ket_retro_arrow.b64cdx b/api/tests/integration/tests/formats/ref/ket_retro_arrow.b64cdx index 81e89585b1..b5914075f9 100644 --- a/api/tests/integration/tests/formats/ref/ket_retro_arrow.b64cdx +++ b/api/tests/integration/tests/formats/ref/ket_retro_arrow.b64cdx @@ -1 +1 @@ -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 \ No newline at end of file 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 \ No newline at end of file diff --git a/api/tests/integration/tests/formats/ref/ket_retro_arrow.cdxml b/api/tests/integration/tests/formats/ref/ket_retro_arrow.cdxml index 1d061793e8..c394758f9d 100644 --- a/api/tests/integration/tests/formats/ref/ket_retro_arrow.cdxml +++ b/api/tests/integration/tests/formats/ref/ket_retro_arrow.cdxml @@ -18,11 +18,11 @@ - - - - - + + + + + NH 2 @@ -32,22 +32,22 @@ - - + + OH - - - + + + OH - - + + diff --git a/api/tests/integration/tests/formats/ref/ket_retro_arrow.cml b/api/tests/integration/tests/formats/ref/ket_retro_arrow.cml index ba9cdff2d2..8008849d85 100644 --- a/api/tests/integration/tests/formats/ref/ket_retro_arrow.cml +++ b/api/tests/integration/tests/formats/ref/ket_retro_arrow.cml @@ -4,9 +4,9 @@ - - - + + + @@ -17,10 +17,10 @@ - - - - + + + + diff --git a/api/tests/integration/tests/formats/ref/ket_retro_arrow_2000.rxn b/api/tests/integration/tests/formats/ref/ket_retro_arrow_2000.rxn index 5c1647f41e..316c8f3ea8 100644 --- a/api/tests/integration/tests/formats/ref/ket_retro_arrow_2000.rxn +++ b/api/tests/integration/tests/formats/ref/ket_retro_arrow_2000.rxn @@ -8,9 +8,9 @@ $MOL -INDIGO-01000000002D 3 2 0 0 0 0 0 0 0 0999 V2000 - 8.3713 0.4000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 - 9.7569 -0.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 11.1426 0.4000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 5.2321 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 6.0981 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 6.9641 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 M END @@ -19,10 +19,10 @@ $MOL -INDIGO-01000000002D 4 3 0 0 0 0 0 0 0 0999 V2000 - 2.1856 -1.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 2.1856 0.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 0.8000 1.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 3.5713 1.2000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 1.3660 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1.3660 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 0.5000 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 2.2321 0.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 diff --git a/api/tests/integration/tests/formats/ref/ket_retro_arrow_3000.rxn b/api/tests/integration/tests/formats/ref/ket_retro_arrow_3000.rxn index 8bd891590b..62b9719a00 100644 --- a/api/tests/integration/tests/formats/ref/ket_retro_arrow_3000.rxn +++ b/api/tests/integration/tests/formats/ref/ket_retro_arrow_3000.rxn @@ -7,9 +7,9 @@ M V30 BEGIN REACTANT M V30 BEGIN CTAB M V30 COUNTS 3 2 0 0 0 M V30 BEGIN ATOM -M V30 1 O 8.37128 0.4 0.0 0 -M V30 2 C 9.75692 -0.4 0.0 0 -M V30 3 O 11.1426 0.4 0.0 0 +M V30 1 O 5.23205 0.25 0.0 0 +M V30 2 C 6.09808 -0.25 0.0 0 +M V30 3 O 6.9641 0.25 0.0 0 M V30 END ATOM M V30 BEGIN BOND M V30 1 1 1 2 @@ -21,10 +21,10 @@ M V30 BEGIN PRODUCT M V30 BEGIN CTAB M V30 COUNTS 4 3 0 0 0 M V30 BEGIN ATOM -M V30 1 C 2.18564 -1.2 0.0 0 -M V30 2 C 2.18564 0.4 0.0 0 -M V30 3 C 0.8 1.2 0.0 0 -M V30 4 N 3.57128 1.2 0.0 0 +M V30 1 C 1.36602 -0.75 0.0 0 +M V30 2 C 1.36602 0.25 0.0 0 +M V30 3 C 0.5 0.75 0.0 0 +M V30 4 N 2.23205 0.75 0.0 0 M V30 END ATOM M V30 BEGIN BOND M V30 1 1 1 2 diff --git a/api/tests/integration/tests/formats/ref/multiseq.ket b/api/tests/integration/tests/formats/ref/multiseq.ket index 30c1594f3d..de7b8081c6 100644 --- a/api/tests/integration/tests/formats/ref/multiseq.ket +++ b/api/tests/integration/tests/formats/ref/multiseq.ket @@ -5872,7 +5872,7 @@ "seqid": 1, "position": { "x": 0.000000, - "y": -1.600000 + "y": -1.000000 }, "alias": "G", "templateId": "G___Guanine" @@ -5882,7 +5882,7 @@ "id": "2", "seqid": 2, "position": { - "x": 3.200000, + "x": 2.000000, "y": -0.000000 }, "alias": "dR", @@ -5893,8 +5893,8 @@ "id": "3", "seqid": 2, "position": { - "x": 3.200000, - "y": -1.600000 + "x": 2.000000, + "y": -1.000000 }, "alias": "C", "templateId": "C___Cytosine" @@ -5904,7 +5904,7 @@ "id": "4", "seqid": 1, "position": { - "x": 1.600000, + "x": 1.000000, "y": -0.000000 }, "alias": "P", @@ -5915,7 +5915,7 @@ "id": "5", "seqid": 3, "position": { - "x": 6.400000, + "x": 4.000000, "y": -0.000000 }, "alias": "dR", @@ -5926,8 +5926,8 @@ "id": "6", "seqid": 3, "position": { - "x": 6.400000, - "y": -1.600000 + "x": 4.000000, + "y": -1.000000 }, "alias": "A", "templateId": "A___Adenine" @@ -5937,7 +5937,7 @@ "id": "7", "seqid": 2, "position": { - "x": 4.800000, + "x": 3.000000, "y": -0.000000 }, "alias": "P", @@ -5948,7 +5948,7 @@ "id": "8", "seqid": 4, "position": { - "x": 9.600000, + "x": 6.000000, "y": -0.000000 }, "alias": "dR", @@ -5959,8 +5959,8 @@ "id": "9", "seqid": 4, "position": { - "x": 9.600000, - "y": -1.600000 + "x": 6.000000, + "y": -1.000000 }, "alias": "G", "templateId": "G___Guanine" @@ -5970,7 +5970,7 @@ "id": "10", "seqid": 3, "position": { - "x": 8.000000, + "x": 5.000000, "y": -0.000000 }, "alias": "P", @@ -5981,7 +5981,7 @@ "id": "11", "seqid": 5, "position": { - "x": 12.800000, + "x": 8.000000, "y": -0.000000 }, "alias": "dR", @@ -5992,8 +5992,8 @@ "id": "12", "seqid": 5, "position": { - "x": 12.800000, - "y": -1.600000 + "x": 8.000000, + "y": -1.000000 }, "alias": "T", "templateId": "T___Thymine" @@ -6003,7 +6003,7 @@ "id": "13", "seqid": 4, "position": { - "x": 11.200000, + "x": 7.000000, "y": -0.000000 }, "alias": "P", @@ -6014,7 +6014,7 @@ "id": "14", "seqid": 6, "position": { - "x": 16.000000, + "x": 10.000000, "y": -0.000000 }, "alias": "dR", @@ -6025,8 +6025,8 @@ "id": "15", "seqid": 6, "position": { - "x": 16.000000, - "y": -1.600000 + "x": 10.000000, + "y": -1.000000 }, "alias": "G", "templateId": "G___Guanine" @@ -6036,7 +6036,7 @@ "id": "16", "seqid": 5, "position": { - "x": 14.400000, + "x": 9.000000, "y": -0.000000 }, "alias": "P", @@ -6047,7 +6047,7 @@ "id": "17", "seqid": 7, "position": { - "x": 19.200001, + "x": 12.000000, "y": -0.000000 }, "alias": "dR", @@ -6058,8 +6058,8 @@ "id": "18", "seqid": 7, "position": { - "x": 19.200001, - "y": -1.600000 + "x": 12.000000, + "y": -1.000000 }, "alias": "G", "templateId": "G___Guanine" @@ -6069,7 +6069,7 @@ "id": "19", "seqid": 6, "position": { - "x": 17.600000, + "x": 11.000000, "y": -0.000000 }, "alias": "P", @@ -6080,7 +6080,7 @@ "id": "20", "seqid": 8, "position": { - "x": 22.400000, + "x": 14.000000, "y": -0.000000 }, "alias": "dR", @@ -6091,8 +6091,8 @@ "id": "21", "seqid": 8, "position": { - "x": 22.400000, - "y": -1.600000 + "x": 14.000000, + "y": -1.000000 }, "alias": "G", "templateId": "G___Guanine" @@ -6102,7 +6102,7 @@ "id": "22", "seqid": 7, "position": { - "x": 20.799999, + "x": 13.000000, "y": -0.000000 }, "alias": "P", @@ -6113,7 +6113,7 @@ "id": "23", "seqid": 9, "position": { - "x": 25.600000, + "x": 16.000000, "y": -0.000000 }, "alias": "dR", @@ -6124,8 +6124,8 @@ "id": "24", "seqid": 9, "position": { - "x": 25.600000, - "y": -1.600000 + "x": 16.000000, + "y": -1.000000 }, "alias": "A", "templateId": "A___Adenine" @@ -6135,7 +6135,7 @@ "id": "25", "seqid": 8, "position": { - "x": 24.000000, + "x": 15.000000, "y": -0.000000 }, "alias": "P", @@ -6146,7 +6146,7 @@ "id": "26", "seqid": 10, "position": { - "x": 28.800001, + "x": 18.000000, "y": -0.000000 }, "alias": "dR", @@ -6157,8 +6157,8 @@ "id": "27", "seqid": 10, "position": { - "x": 28.800001, - "y": -1.600000 + "x": 18.000000, + "y": -1.000000 }, "alias": "A", "templateId": "A___Adenine" @@ -6168,7 +6168,7 @@ "id": "28", "seqid": 9, "position": { - "x": 27.200001, + "x": 17.000000, "y": -0.000000 }, "alias": "P", @@ -6179,7 +6179,7 @@ "id": "29", "seqid": 11, "position": { - "x": 32.000000, + "x": 20.000000, "y": -0.000000 }, "alias": "dR", @@ -6190,8 +6190,8 @@ "id": "30", "seqid": 11, "position": { - "x": 32.000000, - "y": -1.600000 + "x": 20.000000, + "y": -1.000000 }, "alias": "G", "templateId": "G___Guanine" @@ -6201,7 +6201,7 @@ "id": "31", "seqid": 10, "position": { - "x": 30.400000, + "x": 19.000000, "y": -0.000000 }, "alias": "P", @@ -6212,7 +6212,7 @@ "id": "32", "seqid": 12, "position": { - "x": 35.200001, + "x": 22.000000, "y": -0.000000 }, "alias": "dR", @@ -6223,8 +6223,8 @@ "id": "33", "seqid": 12, "position": { - "x": 35.200001, - "y": -1.600000 + "x": 22.000000, + "y": -1.000000 }, "alias": "A", "templateId": "A___Adenine" @@ -6234,7 +6234,7 @@ "id": "34", "seqid": 11, "position": { - "x": 33.600002, + "x": 21.000000, "y": -0.000000 }, "alias": "P", @@ -6245,7 +6245,7 @@ "id": "35", "seqid": 13, "position": { - "x": 38.400002, + "x": 24.000000, "y": -0.000000 }, "alias": "dR", @@ -6256,8 +6256,8 @@ "id": "36", "seqid": 13, "position": { - "x": 38.400002, - "y": -1.600000 + "x": 24.000000, + "y": -1.000000 }, "alias": "G", "templateId": "G___Guanine" @@ -6267,7 +6267,7 @@ "id": "37", "seqid": 12, "position": { - "x": 36.800003, + "x": 23.000000, "y": -0.000000 }, "alias": "P", @@ -6278,7 +6278,7 @@ "id": "38", "seqid": 14, "position": { - "x": 41.600002, + "x": 26.000000, "y": -0.000000 }, "alias": "dR", @@ -6289,8 +6289,8 @@ "id": "39", "seqid": 14, "position": { - "x": 41.600002, - "y": -1.600000 + "x": 26.000000, + "y": -1.000000 }, "alias": "G", "templateId": "G___Guanine" @@ -6300,7 +6300,7 @@ "id": "40", "seqid": 13, "position": { - "x": 40.000004, + "x": 25.000000, "y": -0.000000 }, "alias": "P", @@ -6311,7 +6311,7 @@ "id": "41", "seqid": 15, "position": { - "x": 44.799999, + "x": 28.000000, "y": -0.000000 }, "alias": "dR", @@ -6322,8 +6322,8 @@ "id": "42", "seqid": 15, "position": { - "x": 44.799999, - "y": -1.600000 + "x": 28.000000, + "y": -1.000000 }, "alias": "A", "templateId": "A___Adenine" @@ -6333,7 +6333,7 @@ "id": "43", "seqid": 14, "position": { - "x": 43.200001, + "x": 27.000000, "y": -0.000000 }, "alias": "P", @@ -6344,7 +6344,7 @@ "id": "44", "seqid": 16, "position": { - "x": 48.000000, + "x": 30.000000, "y": -0.000000 }, "alias": "dR", @@ -6355,8 +6355,8 @@ "id": "45", "seqid": 16, "position": { - "x": 48.000000, - "y": -1.600000 + "x": 30.000000, + "y": -1.000000 }, "alias": "G", "templateId": "G___Guanine" @@ -6366,7 +6366,7 @@ "id": "46", "seqid": 15, "position": { - "x": 46.400002, + "x": 29.000000, "y": -0.000000 }, "alias": "P", @@ -6377,7 +6377,7 @@ "id": "47", "seqid": 17, "position": { - "x": 51.200001, + "x": 32.000000, "y": -0.000000 }, "alias": "dR", @@ -6388,8 +6388,8 @@ "id": "48", "seqid": 17, "position": { - "x": 51.200001, - "y": -1.600000 + "x": 32.000000, + "y": -1.000000 }, "alias": "C", "templateId": "C___Cytosine" @@ -6399,7 +6399,7 @@ "id": "49", "seqid": 16, "position": { - "x": 49.600002, + "x": 31.000000, "y": -0.000000 }, "alias": "P", @@ -6410,7 +6410,7 @@ "id": "50", "seqid": 18, "position": { - "x": 54.400002, + "x": 34.000000, "y": -0.000000 }, "alias": "dR", @@ -6421,8 +6421,8 @@ "id": "51", "seqid": 18, "position": { - "x": 54.400002, - "y": -1.600000 + "x": 34.000000, + "y": -1.000000 }, "alias": "T", "templateId": "T___Thymine" @@ -6432,7 +6432,7 @@ "id": "52", "seqid": 17, "position": { - "x": 52.800003, + "x": 33.000000, "y": -0.000000 }, "alias": "P", @@ -6443,7 +6443,7 @@ "id": "53", "seqid": 19, "position": { - "x": 57.600002, + "x": 36.000000, "y": -0.000000 }, "alias": "dR", @@ -6454,8 +6454,8 @@ "id": "54", "seqid": 19, "position": { - "x": 57.600002, - "y": -1.600000 + "x": 36.000000, + "y": -1.000000 }, "alias": "T", "templateId": "T___Thymine" @@ -6465,7 +6465,7 @@ "id": "55", "seqid": 18, "position": { - "x": 56.000004, + "x": 35.000000, "y": -0.000000 }, "alias": "P", @@ -6476,7 +6476,7 @@ "id": "56", "seqid": 20, "position": { - "x": 60.799999, + "x": 38.000000, "y": -0.000000 }, "alias": "dR", @@ -6487,8 +6487,8 @@ "id": "57", "seqid": 20, "position": { - "x": 60.799999, - "y": -1.600000 + "x": 38.000000, + "y": -1.000000 }, "alias": "T", "templateId": "T___Thymine" @@ -6498,7 +6498,7 @@ "id": "58", "seqid": 19, "position": { - "x": 59.200001, + "x": 37.000000, "y": -0.000000 }, "alias": "P", @@ -6509,7 +6509,7 @@ "id": "59", "seqid": 21, "position": { - "x": 64.000000, + "x": 40.000000, "y": -0.000000 }, "alias": "dR", @@ -6520,8 +6520,8 @@ "id": "60", "seqid": 21, "position": { - "x": 64.000000, - "y": -1.600000 + "x": 40.000000, + "y": -1.000000 }, "alias": "G", "templateId": "G___Guanine" @@ -6531,7 +6531,7 @@ "id": "61", "seqid": 20, "position": { - "x": 62.400002, + "x": 39.000000, "y": -0.000000 }, "alias": "P", @@ -6542,7 +6542,7 @@ "id": "62", "seqid": 22, "position": { - "x": 67.200005, + "x": 42.000000, "y": -0.000000 }, "alias": "dR", @@ -6553,8 +6553,8 @@ "id": "63", "seqid": 22, "position": { - "x": 67.200005, - "y": -1.600000 + "x": 42.000000, + "y": -1.000000 }, "alias": "T", "templateId": "T___Thymine" @@ -6564,7 +6564,7 @@ "id": "64", "seqid": 21, "position": { - "x": 65.600006, + "x": 41.000000, "y": -0.000000 }, "alias": "P", @@ -6575,7 +6575,7 @@ "id": "65", "seqid": 23, "position": { - "x": 70.400002, + "x": 44.000000, "y": -0.000000 }, "alias": "dR", @@ -6586,8 +6586,8 @@ "id": "66", "seqid": 23, "position": { - "x": 70.400002, - "y": -1.600000 + "x": 44.000000, + "y": -1.000000 }, "alias": "T", "templateId": "T___Thymine" @@ -6597,7 +6597,7 @@ "id": "67", "seqid": 22, "position": { - "x": 68.800003, + "x": 43.000000, "y": -0.000000 }, "alias": "P", @@ -6608,7 +6608,7 @@ "id": "68", "seqid": 24, "position": { - "x": 73.599998, + "x": 46.000000, "y": -0.000000 }, "alias": "dR", @@ -6619,8 +6619,8 @@ "id": "69", "seqid": 24, "position": { - "x": 73.599998, - "y": -1.600000 + "x": 46.000000, + "y": -1.000000 }, "alias": "C", "templateId": "C___Cytosine" @@ -6630,7 +6630,7 @@ "id": "70", "seqid": 23, "position": { - "x": 72.000000, + "x": 45.000000, "y": -0.000000 }, "alias": "P", @@ -6641,7 +6641,7 @@ "id": "71", "seqid": 25, "position": { - "x": 76.800003, + "x": 48.000000, "y": -0.000000 }, "alias": "dR", @@ -6652,8 +6652,8 @@ "id": "72", "seqid": 25, "position": { - "x": 76.800003, - "y": -1.600000 + "x": 48.000000, + "y": -1.000000 }, "alias": "C", "templateId": "C___Cytosine" @@ -6663,7 +6663,7 @@ "id": "73", "seqid": 24, "position": { - "x": 75.200005, + "x": 47.000000, "y": -0.000000 }, "alias": "P", @@ -6674,7 +6674,7 @@ "id": "74", "seqid": 26, "position": { - "x": 80.000000, + "x": 50.000000, "y": -0.000000 }, "alias": "dR", @@ -6685,8 +6685,8 @@ "id": "75", "seqid": 26, "position": { - "x": 80.000000, - "y": -1.600000 + "x": 50.000000, + "y": -1.000000 }, "alias": "T", "templateId": "T___Thymine" @@ -6696,7 +6696,7 @@ "id": "76", "seqid": 25, "position": { - "x": 78.400002, + "x": 49.000000, "y": -0.000000 }, "alias": "P", @@ -6707,7 +6707,7 @@ "id": "77", "seqid": 27, "position": { - "x": 83.200005, + "x": 52.000000, "y": -0.000000 }, "alias": "dR", @@ -6718,8 +6718,8 @@ "id": "78", "seqid": 27, "position": { - "x": 83.200005, - "y": -1.600000 + "x": 52.000000, + "y": -1.000000 }, "alias": "T", "templateId": "T___Thymine" @@ -6729,7 +6729,7 @@ "id": "79", "seqid": 26, "position": { - "x": 81.600006, + "x": 51.000000, "y": -0.000000 }, "alias": "P", @@ -6740,7 +6740,7 @@ "id": "80", "seqid": 28, "position": { - "x": 86.400002, + "x": 54.000000, "y": -0.000000 }, "alias": "dR", @@ -6751,8 +6751,8 @@ "id": "81", "seqid": 28, "position": { - "x": 86.400002, - "y": -1.600000 + "x": 54.000000, + "y": -1.000000 }, "alias": "G", "templateId": "G___Guanine" @@ -6762,7 +6762,7 @@ "id": "82", "seqid": 27, "position": { - "x": 84.800003, + "x": 53.000000, "y": -0.000000 }, "alias": "P", @@ -6773,7 +6773,7 @@ "id": "83", "seqid": 29, "position": { - "x": 89.599998, + "x": 56.000000, "y": -0.000000 }, "alias": "dR", @@ -6784,8 +6784,8 @@ "id": "84", "seqid": 29, "position": { - "x": 89.599998, - "y": -1.600000 + "x": 56.000000, + "y": -1.000000 }, "alias": "G", "templateId": "G___Guanine" @@ -6795,7 +6795,7 @@ "id": "85", "seqid": 28, "position": { - "x": 88.000000, + "x": 55.000000, "y": -0.000000 }, "alias": "P", @@ -6806,7 +6806,7 @@ "id": "86", "seqid": 30, "position": { - "x": 92.800003, + "x": 58.000000, "y": -0.000000 }, "alias": "dR", @@ -6817,8 +6817,8 @@ "id": "87", "seqid": 30, "position": { - "x": 92.800003, - "y": -1.600000 + "x": 58.000000, + "y": -1.000000 }, "alias": "G", "templateId": "G___Guanine" @@ -6828,7 +6828,7 @@ "id": "88", "seqid": 29, "position": { - "x": 91.200005, + "x": 57.000000, "y": -0.000000 }, "alias": "P", @@ -6839,7 +6839,7 @@ "id": "89", "seqid": 31, "position": { - "x": 96.000000, + "x": 60.000000, "y": -0.000000 }, "alias": "dR", @@ -6850,8 +6850,8 @@ "id": "90", "seqid": 31, "position": { - "x": 96.000000, - "y": -1.600000 + "x": 60.000000, + "y": -1.000000 }, "alias": "T", "templateId": "T___Thymine" @@ -6861,7 +6861,7 @@ "id": "91", "seqid": 30, "position": { - "x": 94.400002, + "x": 59.000000, "y": -0.000000 }, "alias": "P", @@ -6872,7 +6872,7 @@ "id": "92", "seqid": 32, "position": { - "x": 99.200005, + "x": 62.000000, "y": -0.000000 }, "alias": "dR", @@ -6883,8 +6883,8 @@ "id": "93", "seqid": 32, "position": { - "x": 99.200005, - "y": -1.600000 + "x": 62.000000, + "y": -1.000000 }, "alias": "T", "templateId": "T___Thymine" @@ -6894,7 +6894,7 @@ "id": "94", "seqid": 31, "position": { - "x": 97.600006, + "x": 61.000000, "y": -0.000000 }, "alias": "P", @@ -6905,7 +6905,7 @@ "id": "95", "seqid": 33, "position": { - "x": 102.400002, + "x": 64.000000, "y": -0.000000 }, "alias": "dR", @@ -6916,8 +6916,8 @@ "id": "96", "seqid": 33, "position": { - "x": 102.400002, - "y": -1.600000 + "x": 64.000000, + "y": -1.000000 }, "alias": "C", "templateId": "C___Cytosine" @@ -6927,7 +6927,7 @@ "id": "97", "seqid": 32, "position": { - "x": 100.800003, + "x": 63.000000, "y": -0.000000 }, "alias": "P", @@ -6938,7 +6938,7 @@ "id": "98", "seqid": 34, "position": { - "x": 105.599998, + "x": 66.000000, "y": -0.000000 }, "alias": "dR", @@ -6949,8 +6949,8 @@ "id": "99", "seqid": 34, "position": { - "x": 105.599998, - "y": -1.600000 + "x": 66.000000, + "y": -1.000000 }, "alias": "T", "templateId": "T___Thymine" @@ -6960,7 +6960,7 @@ "id": "100", "seqid": 33, "position": { - "x": 104.000000, + "x": 65.000000, "y": -0.000000 }, "alias": "P", @@ -6971,7 +6971,7 @@ "id": "101", "seqid": 35, "position": { - "x": 108.800003, + "x": 68.000000, "y": -0.000000 }, "alias": "dR", @@ -6982,8 +6982,8 @@ "id": "102", "seqid": 35, "position": { - "x": 108.800003, - "y": -1.600000 + "x": 68.000000, + "y": -1.000000 }, "alias": "T", "templateId": "T___Thymine" @@ -6993,7 +6993,7 @@ "id": "103", "seqid": 34, "position": { - "x": 107.200005, + "x": 67.000000, "y": -0.000000 }, "alias": "P", @@ -7004,7 +7004,7 @@ "id": "104", "seqid": 36, "position": { - "x": 112.000000, + "x": 70.000000, "y": -0.000000 }, "alias": "dR", @@ -7015,8 +7015,8 @@ "id": "105", "seqid": 36, "position": { - "x": 112.000000, - "y": -1.600000 + "x": 70.000000, + "y": -1.000000 }, "alias": "G", "templateId": "G___Guanine" @@ -7026,7 +7026,7 @@ "id": "106", "seqid": 35, "position": { - "x": 110.400002, + "x": 69.000000, "y": -0.000000 }, "alias": "P", @@ -7037,7 +7037,7 @@ "id": "107", "seqid": 37, "position": { - "x": 115.200005, + "x": 72.000000, "y": -0.000000 }, "alias": "dR", @@ -7048,8 +7048,8 @@ "id": "108", "seqid": 37, "position": { - "x": 115.200005, - "y": -1.600000 + "x": 72.000000, + "y": -1.000000 }, "alias": "G", "templateId": "G___Guanine" @@ -7059,7 +7059,7 @@ "id": "109", "seqid": 36, "position": { - "x": 113.600006, + "x": 71.000000, "y": -0.000000 }, "alias": "P", @@ -7070,7 +7070,7 @@ "id": "110", "seqid": 38, "position": { - "x": 118.400002, + "x": 74.000000, "y": -0.000000 }, "alias": "dR", @@ -7081,8 +7081,8 @@ "id": "111", "seqid": 38, "position": { - "x": 118.400002, - "y": -1.600000 + "x": 74.000000, + "y": -1.000000 }, "alias": "G", "templateId": "G___Guanine" @@ -7092,7 +7092,7 @@ "id": "112", "seqid": 37, "position": { - "x": 116.800003, + "x": 73.000000, "y": -0.000000 }, "alias": "P", @@ -7103,7 +7103,7 @@ "id": "113", "seqid": 39, "position": { - "x": 121.599998, + "x": 76.000000, "y": -0.000000 }, "alias": "dR", @@ -7114,8 +7114,8 @@ "id": "114", "seqid": 39, "position": { - "x": 121.599998, - "y": -1.600000 + "x": 76.000000, + "y": -1.000000 }, "alias": "A", "templateId": "A___Adenine" @@ -7125,7 +7125,7 @@ "id": "115", "seqid": 38, "position": { - "x": 120.000000, + "x": 75.000000, "y": -0.000000 }, "alias": "P", @@ -7136,7 +7136,7 @@ "id": "116", "seqid": 40, "position": { - "x": 124.800003, + "x": 78.000000, "y": -0.000000 }, "alias": "dR", @@ -7147,8 +7147,8 @@ "id": "117", "seqid": 40, "position": { - "x": 124.800003, - "y": -1.600000 + "x": 78.000000, + "y": -1.000000 }, "alias": "G", "templateId": "G___Guanine" @@ -7158,7 +7158,7 @@ "id": "118", "seqid": 39, "position": { - "x": 123.200005, + "x": 77.000000, "y": -0.000000 }, "alias": "P", @@ -7169,7 +7169,7 @@ "id": "119", "seqid": 41, "position": { - "x": 128.000000, + "x": 80.000000, "y": -0.000000 }, "alias": "dR", @@ -7180,8 +7180,8 @@ "id": "120", "seqid": 41, "position": { - "x": 128.000000, - "y": -1.600000 + "x": 80.000000, + "y": -1.000000 }, "alias": "C", "templateId": "C___Cytosine" @@ -7191,7 +7191,7 @@ "id": "121", "seqid": 40, "position": { - "x": 126.400002, + "x": 79.000000, "y": -0.000000 }, "alias": "P", @@ -7202,7 +7202,7 @@ "id": "122", "seqid": 42, "position": { - "x": 131.199997, + "x": 82.000000, "y": -0.000000 }, "alias": "dR", @@ -7213,8 +7213,8 @@ "id": "123", "seqid": 42, "position": { - "x": 131.199997, - "y": -1.600000 + "x": 82.000000, + "y": -1.000000 }, "alias": "A", "templateId": "A___Adenine" @@ -7224,7 +7224,7 @@ "id": "124", "seqid": 41, "position": { - "x": 129.599991, + "x": 81.000000, "y": -0.000000 }, "alias": "P", @@ -7235,7 +7235,7 @@ "id": "125", "seqid": 43, "position": { - "x": 134.400009, + "x": 84.000000, "y": -0.000000 }, "alias": "dR", @@ -7246,8 +7246,8 @@ "id": "126", "seqid": 43, "position": { - "x": 134.400009, - "y": -1.600000 + "x": 84.000000, + "y": -1.000000 }, "alias": "G", "templateId": "G___Guanine" @@ -7257,7 +7257,7 @@ "id": "127", "seqid": 42, "position": { - "x": 132.800003, + "x": 83.000000, "y": -0.000000 }, "alias": "P", @@ -7268,7 +7268,7 @@ "id": "128", "seqid": 44, "position": { - "x": 137.600006, + "x": 86.000000, "y": -0.000000 }, "alias": "dR", @@ -7279,8 +7279,8 @@ "id": "129", "seqid": 44, "position": { - "x": 137.600006, - "y": -1.600000 + "x": 86.000000, + "y": -1.000000 }, "alias": "C", "templateId": "C___Cytosine" @@ -7290,7 +7290,7 @@ "id": "130", "seqid": 43, "position": { - "x": 136.000000, + "x": 85.000000, "y": -0.000000 }, "alias": "P", @@ -7301,7 +7301,7 @@ "id": "131", "seqid": 45, "position": { - "x": 140.800003, + "x": 88.000000, "y": -0.000000 }, "alias": "dR", @@ -7312,8 +7312,8 @@ "id": "132", "seqid": 45, "position": { - "x": 140.800003, - "y": -1.600000 + "x": 88.000000, + "y": -1.000000 }, "alias": "A", "templateId": "A___Adenine" @@ -7323,7 +7323,7 @@ "id": "133", "seqid": 44, "position": { - "x": 139.199997, + "x": 87.000000, "y": -0.000000 }, "alias": "P", @@ -7334,7 +7334,7 @@ "id": "134", "seqid": 46, "position": { - "x": 144.000000, + "x": 90.000000, "y": -0.000000 }, "alias": "dR", @@ -7345,8 +7345,8 @@ "id": "135", "seqid": 46, "position": { - "x": 144.000000, - "y": -1.600000 + "x": 90.000000, + "y": -1.000000 }, "alias": "G", "templateId": "G___Guanine" @@ -7356,7 +7356,7 @@ "id": "136", "seqid": 45, "position": { - "x": 142.399994, + "x": 89.000000, "y": -0.000000 }, "alias": "P", @@ -7367,7 +7367,7 @@ "id": "137", "seqid": 47, "position": { - "x": 147.199997, + "x": 92.000000, "y": -0.000000 }, "alias": "dR", @@ -7378,8 +7378,8 @@ "id": "138", "seqid": 47, "position": { - "x": 147.199997, - "y": -1.600000 + "x": 92.000000, + "y": -1.000000 }, "alias": "G", "templateId": "G___Guanine" @@ -7389,7 +7389,7 @@ "id": "139", "seqid": 46, "position": { - "x": 145.599991, + "x": 91.000000, "y": -0.000000 }, "alias": "P", @@ -7400,7 +7400,7 @@ "id": "140", "seqid": 48, "position": { - "x": 150.400009, + "x": 94.000000, "y": -0.000000 }, "alias": "dR", @@ -7411,8 +7411,8 @@ "id": "141", "seqid": 48, "position": { - "x": 150.400009, - "y": -1.600000 + "x": 94.000000, + "y": -1.000000 }, "alias": "A", "templateId": "A___Adenine" @@ -7422,7 +7422,7 @@ "id": "142", "seqid": 47, "position": { - "x": 148.800003, + "x": 93.000000, "y": -0.000000 }, "alias": "P", @@ -7433,7 +7433,7 @@ "id": "143", "seqid": 49, "position": { - "x": 153.600006, + "x": 96.000000, "y": -0.000000 }, "alias": "dR", @@ -7444,8 +7444,8 @@ "id": "144", "seqid": 49, "position": { - "x": 153.600006, - "y": -1.600000 + "x": 96.000000, + "y": -1.000000 }, "alias": "A", "templateId": "A___Adenine" @@ -7455,7 +7455,7 @@ "id": "145", "seqid": 48, "position": { - "x": 152.000000, + "x": 95.000000, "y": -0.000000 }, "alias": "P", @@ -7466,7 +7466,7 @@ "id": "146", "seqid": 50, "position": { - "x": 156.800003, + "x": 98.000000, "y": -0.000000 }, "alias": "dR", @@ -7477,8 +7477,8 @@ "id": "147", "seqid": 50, "position": { - "x": 156.800003, - "y": -1.600000 + "x": 98.000000, + "y": -1.000000 }, "alias": "G", "templateId": "G___Guanine" @@ -7488,7 +7488,7 @@ "id": "148", "seqid": 49, "position": { - "x": 155.199997, + "x": 97.000000, "y": -0.000000 }, "alias": "P", @@ -7499,7 +7499,7 @@ "id": "149", "seqid": 51, "position": { - "x": 160.000000, + "x": 100.000000, "y": -0.000000 }, "alias": "dR", @@ -7510,8 +7510,8 @@ "id": "150", "seqid": 51, "position": { - "x": 160.000000, - "y": -1.600000 + "x": 100.000000, + "y": -1.000000 }, "alias": "C", "templateId": "C___Cytosine" @@ -7521,7 +7521,7 @@ "id": "151", "seqid": 50, "position": { - "x": 158.399994, + "x": 99.000000, "y": -0.000000 }, "alias": "P", @@ -7532,7 +7532,7 @@ "id": "152", "seqid": 52, "position": { - "x": 163.199997, + "x": 102.000000, "y": -0.000000 }, "alias": "dR", @@ -7543,8 +7543,8 @@ "id": "153", "seqid": 52, "position": { - "x": 163.199997, - "y": -1.600000 + "x": 102.000000, + "y": -1.000000 }, "alias": "A", "templateId": "A___Adenine" @@ -7554,7 +7554,7 @@ "id": "154", "seqid": 51, "position": { - "x": 161.599991, + "x": 101.000000, "y": -0.000000 }, "alias": "P", @@ -7565,7 +7565,7 @@ "id": "155", "seqid": 53, "position": { - "x": 166.400009, + "x": 104.000000, "y": -0.000000 }, "alias": "dR", @@ -7576,8 +7576,8 @@ "id": "156", "seqid": 53, "position": { - "x": 166.400009, - "y": -1.600000 + "x": 104.000000, + "y": -1.000000 }, "alias": "C", "templateId": "C___Cytosine" @@ -7587,7 +7587,7 @@ "id": "157", "seqid": 52, "position": { - "x": 164.800003, + "x": 103.000000, "y": -0.000000 }, "alias": "P", @@ -7598,7 +7598,7 @@ "id": "158", "seqid": 54, "position": { - "x": 169.600006, + "x": 106.000000, "y": -0.000000 }, "alias": "dR", @@ -7609,8 +7609,8 @@ "id": "159", "seqid": 54, "position": { - "x": 169.600006, - "y": -1.600000 + "x": 106.000000, + "y": -1.000000 }, "alias": "T", "templateId": "T___Thymine" @@ -7620,7 +7620,7 @@ "id": "160", "seqid": 53, "position": { - "x": 168.000000, + "x": 105.000000, "y": -0.000000 }, "alias": "P", @@ -7631,7 +7631,7 @@ "id": "161", "seqid": 55, "position": { - "x": 172.800003, + "x": 108.000000, "y": -0.000000 }, "alias": "dR", @@ -7642,8 +7642,8 @@ "id": "162", "seqid": 55, "position": { - "x": 172.800003, - "y": -1.600000 + "x": 108.000000, + "y": -1.000000 }, "alias": "A", "templateId": "A___Adenine" @@ -7653,7 +7653,7 @@ "id": "163", "seqid": 54, "position": { - "x": 171.199997, + "x": 107.000000, "y": -0.000000 }, "alias": "P", @@ -7664,7 +7664,7 @@ "id": "164", "seqid": 56, "position": { - "x": 176.000000, + "x": 110.000000, "y": -0.000000 }, "alias": "dR", @@ -7675,8 +7675,8 @@ "id": "165", "seqid": 56, "position": { - "x": 176.000000, - "y": -1.600000 + "x": 110.000000, + "y": -1.000000 }, "alias": "T", "templateId": "T___Thymine" @@ -7686,7 +7686,7 @@ "id": "166", "seqid": 55, "position": { - "x": 174.399994, + "x": 109.000000, "y": -0.000000 }, "alias": "P", @@ -7697,7 +7697,7 @@ "id": "167", "seqid": 57, "position": { - "x": 179.199997, + "x": 112.000000, "y": -0.000000 }, "alias": "dR", @@ -7708,8 +7708,8 @@ "id": "168", "seqid": 57, "position": { - "x": 179.199997, - "y": -1.600000 + "x": 112.000000, + "y": -1.000000 }, "alias": "G", "templateId": "G___Guanine" @@ -7719,7 +7719,7 @@ "id": "169", "seqid": 56, "position": { - "x": 177.599991, + "x": 111.000000, "y": -0.000000 }, "alias": "P", @@ -7730,7 +7730,7 @@ "id": "170", "seqid": 58, "position": { - "x": 182.400009, + "x": 114.000000, "y": -0.000000 }, "alias": "dR", @@ -7741,8 +7741,8 @@ "id": "171", "seqid": 58, "position": { - "x": 182.400009, - "y": -1.600000 + "x": 114.000000, + "y": -1.000000 }, "alias": "G", "templateId": "G___Guanine" @@ -7752,7 +7752,7 @@ "id": "172", "seqid": 57, "position": { - "x": 180.800003, + "x": 113.000000, "y": -0.000000 }, "alias": "P", @@ -7763,7 +7763,7 @@ "id": "173", "seqid": 59, "position": { - "x": 185.600006, + "x": 116.000000, "y": -0.000000 }, "alias": "dR", @@ -7774,8 +7774,8 @@ "id": "174", "seqid": 59, "position": { - "x": 185.600006, - "y": -1.600000 + "x": 116.000000, + "y": -1.000000 }, "alias": "G", "templateId": "G___Guanine" @@ -7785,7 +7785,7 @@ "id": "175", "seqid": 58, "position": { - "x": 184.000000, + "x": 115.000000, "y": -0.000000 }, "alias": "P", @@ -7796,7 +7796,7 @@ "id": "176", "seqid": 60, "position": { - "x": 188.800003, + "x": 118.000000, "y": -0.000000 }, "alias": "dR", @@ -7807,8 +7807,8 @@ "id": "177", "seqid": 60, "position": { - "x": 188.800003, - "y": -1.600000 + "x": 118.000000, + "y": -1.000000 }, "alias": "C", "templateId": "C___Cytosine" @@ -7818,7 +7818,7 @@ "id": "178", "seqid": 59, "position": { - "x": 187.199997, + "x": 117.000000, "y": -0.000000 }, "alias": "P", @@ -7829,7 +7829,7 @@ "id": "179", "seqid": 61, "position": { - "x": 192.000000, + "x": 120.000000, "y": -0.000000 }, "alias": "dR", @@ -7840,8 +7840,8 @@ "id": "180", "seqid": 61, "position": { - "x": 192.000000, - "y": -1.600000 + "x": 120.000000, + "y": -1.000000 }, "alias": "G", "templateId": "G___Guanine" @@ -7851,7 +7851,7 @@ "id": "181", "seqid": 60, "position": { - "x": 190.399994, + "x": 119.000000, "y": -0.000000 }, "alias": "P", @@ -7862,7 +7862,7 @@ "id": "182", "seqid": 62, "position": { - "x": 195.199997, + "x": 122.000000, "y": -0.000000 }, "alias": "dR", @@ -7873,8 +7873,8 @@ "id": "183", "seqid": 62, "position": { - "x": 195.199997, - "y": -1.600000 + "x": 122.000000, + "y": -1.000000 }, "alias": "C", "templateId": "C___Cytosine" @@ -7884,7 +7884,7 @@ "id": "184", "seqid": 61, "position": { - "x": 193.599991, + "x": 121.000000, "y": -0.000000 }, "alias": "P", @@ -7895,7 +7895,7 @@ "id": "185", "seqid": 63, "position": { - "x": 198.400009, + "x": 124.000000, "y": -0.000000 }, "alias": "dR", @@ -7906,8 +7906,8 @@ "id": "186", "seqid": 63, "position": { - "x": 198.400009, - "y": -1.600000 + "x": 124.000000, + "y": -1.000000 }, "alias": "A", "templateId": "A___Adenine" @@ -7917,7 +7917,7 @@ "id": "187", "seqid": 62, "position": { - "x": 196.800003, + "x": 123.000000, "y": -0.000000 }, "alias": "P", @@ -7928,7 +7928,7 @@ "id": "188", "seqid": 64, "position": { - "x": 201.600006, + "x": 126.000000, "y": -0.000000 }, "alias": "dR", @@ -7939,8 +7939,8 @@ "id": "189", "seqid": 64, "position": { - "x": 201.600006, - "y": -1.600000 + "x": 126.000000, + "y": -1.000000 }, "alias": "G", "templateId": "G___Guanine" @@ -7950,7 +7950,7 @@ "id": "190", "seqid": 63, "position": { - "x": 200.000000, + "x": 125.000000, "y": -0.000000 }, "alias": "P", @@ -7961,7 +7961,7 @@ "id": "191", "seqid": 65, "position": { - "x": 204.800003, + "x": 128.000000, "y": -0.000000 }, "alias": "dR", @@ -7972,8 +7972,8 @@ "id": "192", "seqid": 65, "position": { - "x": 204.800003, - "y": -1.600000 + "x": 128.000000, + "y": -1.000000 }, "alias": "C", "templateId": "C___Cytosine" @@ -7983,7 +7983,7 @@ "id": "193", "seqid": 64, "position": { - "x": 203.199997, + "x": 127.000000, "y": -0.000000 }, "alias": "P", @@ -7994,7 +7994,7 @@ "id": "194", "seqid": 66, "position": { - "x": 208.000000, + "x": 130.000000, "y": -0.000000 }, "alias": "dR", @@ -8005,8 +8005,8 @@ "id": "195", "seqid": 66, "position": { - "x": 208.000000, - "y": -1.600000 + "x": 130.000000, + "y": -1.000000 }, "alias": "C", "templateId": "C___Cytosine" @@ -8016,7 +8016,7 @@ "id": "196", "seqid": 65, "position": { - "x": 206.399994, + "x": 129.000000, "y": -0.000000 }, "alias": "P", @@ -8027,7 +8027,7 @@ "id": "197", "seqid": 67, "position": { - "x": 211.199997, + "x": 132.000000, "y": -0.000000 }, "alias": "dR", @@ -8038,8 +8038,8 @@ "id": "198", "seqid": 67, "position": { - "x": 211.199997, - "y": -1.600000 + "x": 132.000000, + "y": -1.000000 }, "alias": "T", "templateId": "T___Thymine" @@ -8049,7 +8049,7 @@ "id": "199", "seqid": 66, "position": { - "x": 209.599991, + "x": 131.000000, "y": -0.000000 }, "alias": "P", @@ -8060,7 +8060,7 @@ "id": "200", "seqid": 68, "position": { - "x": 214.400009, + "x": 134.000000, "y": -0.000000 }, "alias": "dR", @@ -8071,8 +8071,8 @@ "id": "201", "seqid": 68, "position": { - "x": 214.400009, - "y": -1.600000 + "x": 134.000000, + "y": -1.000000 }, "alias": "C", "templateId": "C___Cytosine" @@ -8082,7 +8082,7 @@ "id": "202", "seqid": 67, "position": { - "x": 212.800003, + "x": 133.000000, "y": -0.000000 }, "alias": "P", @@ -8093,7 +8093,7 @@ "id": "203", "seqid": 69, "position": { - "x": 217.600006, + "x": 136.000000, "y": -0.000000 }, "alias": "dR", @@ -8104,8 +8104,8 @@ "id": "204", "seqid": 69, "position": { - "x": 217.600006, - "y": -1.600000 + "x": 136.000000, + "y": -1.000000 }, "alias": "A", "templateId": "A___Adenine" @@ -8115,7 +8115,7 @@ "id": "205", "seqid": 68, "position": { - "x": 216.000000, + "x": 135.000000, "y": -0.000000 }, "alias": "P", @@ -8126,7 +8126,7 @@ "id": "206", "seqid": 70, "position": { - "x": 220.800003, + "x": 138.000000, "y": -0.000000 }, "alias": "dR", @@ -8137,8 +8137,8 @@ "id": "207", "seqid": 70, "position": { - "x": 220.800003, - "y": -1.600000 + "x": 138.000000, + "y": -1.000000 }, "alias": "A", "templateId": "A___Adenine" @@ -8148,7 +8148,7 @@ "id": "208", "seqid": 69, "position": { - "x": 219.199997, + "x": 137.000000, "y": -0.000000 }, "alias": "P", @@ -8160,7 +8160,7 @@ "seqid": 1, "position": { "x": 0.000000, - "y": -3.200000 + "y": -2.000000 }, "alias": "dR", "templateId": "dR___Deoxy-Ribose" @@ -8171,7 +8171,7 @@ "seqid": 1, "position": { "x": 0.000000, - "y": -4.800000 + "y": -3.000000 }, "alias": "G", "templateId": "G___Guanine" @@ -8181,8 +8181,8 @@ "id": "211", "seqid": 2, "position": { - "x": 3.200000, - "y": -3.200000 + "x": 2.000000, + "y": -2.000000 }, "alias": "dR", "templateId": "dR___Deoxy-Ribose" @@ -8192,8 +8192,8 @@ "id": "212", "seqid": 2, "position": { - "x": 3.200000, - "y": -4.800000 + "x": 2.000000, + "y": -3.000000 }, "alias": "C", "templateId": "C___Cytosine" @@ -8203,8 +8203,8 @@ "id": "213", "seqid": 1, "position": { - "x": 1.600000, - "y": -3.200000 + "x": 1.000000, + "y": -2.000000 }, "alias": "P", "templateId": "P___Phosphate" @@ -8214,8 +8214,8 @@ "id": "214", "seqid": 3, "position": { - "x": 6.400000, - "y": -3.200000 + "x": 4.000000, + "y": -2.000000 }, "alias": "dR", "templateId": "dR___Deoxy-Ribose" @@ -8225,8 +8225,8 @@ "id": "215", "seqid": 3, "position": { - "x": 6.400000, - "y": -4.800000 + "x": 4.000000, + "y": -3.000000 }, "alias": "A", "templateId": "A___Adenine" @@ -8236,8 +8236,8 @@ "id": "216", "seqid": 2, "position": { - "x": 4.800000, - "y": -3.200000 + "x": 3.000000, + "y": -2.000000 }, "alias": "P", "templateId": "P___Phosphate" @@ -8247,8 +8247,8 @@ "id": "217", "seqid": 4, "position": { - "x": 9.600000, - "y": -3.200000 + "x": 6.000000, + "y": -2.000000 }, "alias": "dR", "templateId": "dR___Deoxy-Ribose" @@ -8258,8 +8258,8 @@ "id": "218", "seqid": 4, "position": { - "x": 9.600000, - "y": -4.800000 + "x": 6.000000, + "y": -3.000000 }, "alias": "G", "templateId": "G___Guanine" @@ -8269,8 +8269,8 @@ "id": "219", "seqid": 3, "position": { - "x": 8.000000, - "y": -3.200000 + "x": 5.000000, + "y": -2.000000 }, "alias": "P", "templateId": "P___Phosphate" @@ -8280,8 +8280,8 @@ "id": "220", "seqid": 5, "position": { - "x": 12.800000, - "y": -3.200000 + "x": 8.000000, + "y": -2.000000 }, "alias": "dR", "templateId": "dR___Deoxy-Ribose" @@ -8291,8 +8291,8 @@ "id": "221", "seqid": 5, "position": { - "x": 12.800000, - "y": -4.800000 + "x": 8.000000, + "y": -3.000000 }, "alias": "T", "templateId": "T___Thymine" @@ -8302,8 +8302,8 @@ "id": "222", "seqid": 4, "position": { - "x": 11.200000, - "y": -3.200000 + "x": 7.000000, + "y": -2.000000 }, "alias": "P", "templateId": "P___Phosphate" @@ -8313,8 +8313,8 @@ "id": "223", "seqid": 6, "position": { - "x": 16.000000, - "y": -3.200000 + "x": 10.000000, + "y": -2.000000 }, "alias": "dR", "templateId": "dR___Deoxy-Ribose" @@ -8324,8 +8324,8 @@ "id": "224", "seqid": 6, "position": { - "x": 16.000000, - "y": -4.800000 + "x": 10.000000, + "y": -3.000000 }, "alias": "G", "templateId": "G___Guanine" @@ -8335,8 +8335,8 @@ "id": "225", "seqid": 5, "position": { - "x": 14.400000, - "y": -3.200000 + "x": 9.000000, + "y": -2.000000 }, "alias": "P", "templateId": "P___Phosphate" @@ -8346,8 +8346,8 @@ "id": "226", "seqid": 7, "position": { - "x": 19.200001, - "y": -3.200000 + "x": 12.000000, + "y": -2.000000 }, "alias": "dR", "templateId": "dR___Deoxy-Ribose" @@ -8357,8 +8357,8 @@ "id": "227", "seqid": 7, "position": { - "x": 19.200001, - "y": -4.800000 + "x": 12.000000, + "y": -3.000000 }, "alias": "G", "templateId": "G___Guanine" @@ -8368,8 +8368,8 @@ "id": "228", "seqid": 6, "position": { - "x": 17.600000, - "y": -3.200000 + "x": 11.000000, + "y": -2.000000 }, "alias": "P", "templateId": "P___Phosphate" @@ -8379,8 +8379,8 @@ "id": "229", "seqid": 8, "position": { - "x": 22.400000, - "y": -3.200000 + "x": 14.000000, + "y": -2.000000 }, "alias": "dR", "templateId": "dR___Deoxy-Ribose" @@ -8390,8 +8390,8 @@ "id": "230", "seqid": 8, "position": { - "x": 22.400000, - "y": -4.800000 + "x": 14.000000, + "y": -3.000000 }, "alias": "G", "templateId": "G___Guanine" @@ -8401,8 +8401,8 @@ "id": "231", "seqid": 7, "position": { - "x": 20.799999, - "y": -3.200000 + "x": 13.000000, + "y": -2.000000 }, "alias": "P", "templateId": "P___Phosphate" @@ -8412,8 +8412,8 @@ "id": "232", "seqid": 9, "position": { - "x": 25.600000, - "y": -3.200000 + "x": 16.000000, + "y": -2.000000 }, "alias": "dR", "templateId": "dR___Deoxy-Ribose" @@ -8423,8 +8423,8 @@ "id": "233", "seqid": 9, "position": { - "x": 25.600000, - "y": -4.800000 + "x": 16.000000, + "y": -3.000000 }, "alias": "A", "templateId": "A___Adenine" @@ -8434,8 +8434,8 @@ "id": "234", "seqid": 8, "position": { - "x": 24.000000, - "y": -3.200000 + "x": 15.000000, + "y": -2.000000 }, "alias": "P", "templateId": "P___Phosphate" @@ -8445,8 +8445,8 @@ "id": "235", "seqid": 10, "position": { - "x": 28.800001, - "y": -3.200000 + "x": 18.000000, + "y": -2.000000 }, "alias": "dR", "templateId": "dR___Deoxy-Ribose" @@ -8456,8 +8456,8 @@ "id": "236", "seqid": 10, "position": { - "x": 28.800001, - "y": -4.800000 + "x": 18.000000, + "y": -3.000000 }, "alias": "A", "templateId": "A___Adenine" @@ -8467,8 +8467,8 @@ "id": "237", "seqid": 9, "position": { - "x": 27.200001, - "y": -3.200000 + "x": 17.000000, + "y": -2.000000 }, "alias": "P", "templateId": "P___Phosphate" @@ -8478,8 +8478,8 @@ "id": "238", "seqid": 11, "position": { - "x": 32.000000, - "y": -3.200000 + "x": 20.000000, + "y": -2.000000 }, "alias": "dR", "templateId": "dR___Deoxy-Ribose" @@ -8489,8 +8489,8 @@ "id": "239", "seqid": 11, "position": { - "x": 32.000000, - "y": -4.800000 + "x": 20.000000, + "y": -3.000000 }, "alias": "G", "templateId": "G___Guanine" @@ -8500,8 +8500,8 @@ "id": "240", "seqid": 10, "position": { - "x": 30.400000, - "y": -3.200000 + "x": 19.000000, + "y": -2.000000 }, "alias": "P", "templateId": "P___Phosphate" @@ -8511,8 +8511,8 @@ "id": "241", "seqid": 12, "position": { - "x": 35.200001, - "y": -3.200000 + "x": 22.000000, + "y": -2.000000 }, "alias": "dR", "templateId": "dR___Deoxy-Ribose" @@ -8522,8 +8522,8 @@ "id": "242", "seqid": 12, "position": { - "x": 35.200001, - "y": -4.800000 + "x": 22.000000, + "y": -3.000000 }, "alias": "A", "templateId": "A___Adenine" @@ -8533,8 +8533,8 @@ "id": "243", "seqid": 11, "position": { - "x": 33.600002, - "y": -3.200000 + "x": 21.000000, + "y": -2.000000 }, "alias": "P", "templateId": "P___Phosphate" @@ -8544,8 +8544,8 @@ "id": "244", "seqid": 13, "position": { - "x": 38.400002, - "y": -3.200000 + "x": 24.000000, + "y": -2.000000 }, "alias": "dR", "templateId": "dR___Deoxy-Ribose" @@ -8555,8 +8555,8 @@ "id": "245", "seqid": 13, "position": { - "x": 38.400002, - "y": -4.800000 + "x": 24.000000, + "y": -3.000000 }, "alias": "G", "templateId": "G___Guanine" @@ -8566,8 +8566,8 @@ "id": "246", "seqid": 12, "position": { - "x": 36.800003, - "y": -3.200000 + "x": 23.000000, + "y": -2.000000 }, "alias": "P", "templateId": "P___Phosphate" @@ -8577,8 +8577,8 @@ "id": "247", "seqid": 14, "position": { - "x": 41.600002, - "y": -3.200000 + "x": 26.000000, + "y": -2.000000 }, "alias": "dR", "templateId": "dR___Deoxy-Ribose" @@ -8588,8 +8588,8 @@ "id": "248", "seqid": 14, "position": { - "x": 41.600002, - "y": -4.800000 + "x": 26.000000, + "y": -3.000000 }, "alias": "G", "templateId": "G___Guanine" @@ -8599,8 +8599,8 @@ "id": "249", "seqid": 13, "position": { - "x": 40.000004, - "y": -3.200000 + "x": 25.000000, + "y": -2.000000 }, "alias": "P", "templateId": "P___Phosphate" @@ -8610,8 +8610,8 @@ "id": "250", "seqid": 15, "position": { - "x": 44.799999, - "y": -3.200000 + "x": 28.000000, + "y": -2.000000 }, "alias": "dR", "templateId": "dR___Deoxy-Ribose" @@ -8621,8 +8621,8 @@ "id": "251", "seqid": 15, "position": { - "x": 44.799999, - "y": -4.800000 + "x": 28.000000, + "y": -3.000000 }, "alias": "A", "templateId": "A___Adenine" @@ -8632,8 +8632,8 @@ "id": "252", "seqid": 14, "position": { - "x": 43.200001, - "y": -3.200000 + "x": 27.000000, + "y": -2.000000 }, "alias": "P", "templateId": "P___Phosphate" @@ -8643,8 +8643,8 @@ "id": "253", "seqid": 16, "position": { - "x": 48.000000, - "y": -3.200000 + "x": 30.000000, + "y": -2.000000 }, "alias": "dR", "templateId": "dR___Deoxy-Ribose" @@ -8654,8 +8654,8 @@ "id": "254", "seqid": 16, "position": { - "x": 48.000000, - "y": -4.800000 + "x": 30.000000, + "y": -3.000000 }, "alias": "G", "templateId": "G___Guanine" @@ -8665,8 +8665,8 @@ "id": "255", "seqid": 15, "position": { - "x": 46.400002, - "y": -3.200000 + "x": 29.000000, + "y": -2.000000 }, "alias": "P", "templateId": "P___Phosphate" @@ -8676,8 +8676,8 @@ "id": "256", "seqid": 17, "position": { - "x": 51.200001, - "y": -3.200000 + "x": 32.000000, + "y": -2.000000 }, "alias": "dR", "templateId": "dR___Deoxy-Ribose" @@ -8687,8 +8687,8 @@ "id": "257", "seqid": 17, "position": { - "x": 51.200001, - "y": -4.800000 + "x": 32.000000, + "y": -3.000000 }, "alias": "C", "templateId": "C___Cytosine" @@ -8698,8 +8698,8 @@ "id": "258", "seqid": 16, "position": { - "x": 49.600002, - "y": -3.200000 + "x": 31.000000, + "y": -2.000000 }, "alias": "P", "templateId": "P___Phosphate" @@ -8709,8 +8709,8 @@ "id": "259", "seqid": 18, "position": { - "x": 54.400002, - "y": -3.200000 + "x": 34.000000, + "y": -2.000000 }, "alias": "dR", "templateId": "dR___Deoxy-Ribose" @@ -8720,8 +8720,8 @@ "id": "260", "seqid": 18, "position": { - "x": 54.400002, - "y": -4.800000 + "x": 34.000000, + "y": -3.000000 }, "alias": "T", "templateId": "T___Thymine" @@ -8731,8 +8731,8 @@ "id": "261", "seqid": 17, "position": { - "x": 52.800003, - "y": -3.200000 + "x": 33.000000, + "y": -2.000000 }, "alias": "P", "templateId": "P___Phosphate" @@ -8742,8 +8742,8 @@ "id": "262", "seqid": 19, "position": { - "x": 57.600002, - "y": -3.200000 + "x": 36.000000, + "y": -2.000000 }, "alias": "dR", "templateId": "dR___Deoxy-Ribose" @@ -8753,8 +8753,8 @@ "id": "263", "seqid": 19, "position": { - "x": 57.600002, - "y": -4.800000 + "x": 36.000000, + "y": -3.000000 }, "alias": "T", "templateId": "T___Thymine" @@ -8764,8 +8764,8 @@ "id": "264", "seqid": 18, "position": { - "x": 56.000004, - "y": -3.200000 + "x": 35.000000, + "y": -2.000000 }, "alias": "P", "templateId": "P___Phosphate" @@ -8775,8 +8775,8 @@ "id": "265", "seqid": 20, "position": { - "x": 60.799999, - "y": -3.200000 + "x": 38.000000, + "y": -2.000000 }, "alias": "dR", "templateId": "dR___Deoxy-Ribose" @@ -8786,8 +8786,8 @@ "id": "266", "seqid": 20, "position": { - "x": 60.799999, - "y": -4.800000 + "x": 38.000000, + "y": -3.000000 }, "alias": "T", "templateId": "T___Thymine" @@ -8797,8 +8797,8 @@ "id": "267", "seqid": 19, "position": { - "x": 59.200001, - "y": -3.200000 + "x": 37.000000, + "y": -2.000000 }, "alias": "P", "templateId": "P___Phosphate" @@ -8808,8 +8808,8 @@ "id": "268", "seqid": 21, "position": { - "x": 64.000000, - "y": -3.200000 + "x": 40.000000, + "y": -2.000000 }, "alias": "dR", "templateId": "dR___Deoxy-Ribose" @@ -8819,8 +8819,8 @@ "id": "269", "seqid": 21, "position": { - "x": 64.000000, - "y": -4.800000 + "x": 40.000000, + "y": -3.000000 }, "alias": "G", "templateId": "G___Guanine" @@ -8830,8 +8830,8 @@ "id": "270", "seqid": 20, "position": { - "x": 62.400002, - "y": -3.200000 + "x": 39.000000, + "y": -2.000000 }, "alias": "P", "templateId": "P___Phosphate" @@ -8841,8 +8841,8 @@ "id": "271", "seqid": 22, "position": { - "x": 67.200005, - "y": -3.200000 + "x": 42.000000, + "y": -2.000000 }, "alias": "dR", "templateId": "dR___Deoxy-Ribose" @@ -8852,8 +8852,8 @@ "id": "272", "seqid": 22, "position": { - "x": 67.200005, - "y": -4.800000 + "x": 42.000000, + "y": -3.000000 }, "alias": "T", "templateId": "T___Thymine" @@ -8863,8 +8863,8 @@ "id": "273", "seqid": 21, "position": { - "x": 65.600006, - "y": -3.200000 + "x": 41.000000, + "y": -2.000000 }, "alias": "P", "templateId": "P___Phosphate" @@ -8874,8 +8874,8 @@ "id": "274", "seqid": 23, "position": { - "x": 70.400002, - "y": -3.200000 + "x": 44.000000, + "y": -2.000000 }, "alias": "dR", "templateId": "dR___Deoxy-Ribose" @@ -8885,8 +8885,8 @@ "id": "275", "seqid": 23, "position": { - "x": 70.400002, - "y": -4.800000 + "x": 44.000000, + "y": -3.000000 }, "alias": "T", "templateId": "T___Thymine" @@ -8896,8 +8896,8 @@ "id": "276", "seqid": 22, "position": { - "x": 68.800003, - "y": -3.200000 + "x": 43.000000, + "y": -2.000000 }, "alias": "P", "templateId": "P___Phosphate" @@ -8907,8 +8907,8 @@ "id": "277", "seqid": 24, "position": { - "x": 73.599998, - "y": -3.200000 + "x": 46.000000, + "y": -2.000000 }, "alias": "dR", "templateId": "dR___Deoxy-Ribose" @@ -8918,8 +8918,8 @@ "id": "278", "seqid": 24, "position": { - "x": 73.599998, - "y": -4.800000 + "x": 46.000000, + "y": -3.000000 }, "alias": "C", "templateId": "C___Cytosine" @@ -8929,8 +8929,8 @@ "id": "279", "seqid": 23, "position": { - "x": 72.000000, - "y": -3.200000 + "x": 45.000000, + "y": -2.000000 }, "alias": "P", "templateId": "P___Phosphate" @@ -8940,8 +8940,8 @@ "id": "280", "seqid": 25, "position": { - "x": 76.800003, - "y": -3.200000 + "x": 48.000000, + "y": -2.000000 }, "alias": "dR", "templateId": "dR___Deoxy-Ribose" @@ -8951,8 +8951,8 @@ "id": "281", "seqid": 25, "position": { - "x": 76.800003, - "y": -4.800000 + "x": 48.000000, + "y": -3.000000 }, "alias": "C", "templateId": "C___Cytosine" @@ -8962,8 +8962,8 @@ "id": "282", "seqid": 24, "position": { - "x": 75.200005, - "y": -3.200000 + "x": 47.000000, + "y": -2.000000 }, "alias": "P", "templateId": "P___Phosphate" @@ -8973,8 +8973,8 @@ "id": "283", "seqid": 26, "position": { - "x": 80.000000, - "y": -3.200000 + "x": 50.000000, + "y": -2.000000 }, "alias": "dR", "templateId": "dR___Deoxy-Ribose" @@ -8984,8 +8984,8 @@ "id": "284", "seqid": 26, "position": { - "x": 80.000000, - "y": -4.800000 + "x": 50.000000, + "y": -3.000000 }, "alias": "T", "templateId": "T___Thymine" @@ -8995,8 +8995,8 @@ "id": "285", "seqid": 25, "position": { - "x": 78.400002, - "y": -3.200000 + "x": 49.000000, + "y": -2.000000 }, "alias": "P", "templateId": "P___Phosphate" @@ -9006,8 +9006,8 @@ "id": "286", "seqid": 27, "position": { - "x": 83.200005, - "y": -3.200000 + "x": 52.000000, + "y": -2.000000 }, "alias": "dR", "templateId": "dR___Deoxy-Ribose" @@ -9017,8 +9017,8 @@ "id": "287", "seqid": 27, "position": { - "x": 83.200005, - "y": -4.800000 + "x": 52.000000, + "y": -3.000000 }, "alias": "T", "templateId": "T___Thymine" @@ -9028,8 +9028,8 @@ "id": "288", "seqid": 26, "position": { - "x": 81.600006, - "y": -3.200000 + "x": 51.000000, + "y": -2.000000 }, "alias": "P", "templateId": "P___Phosphate" @@ -9039,8 +9039,8 @@ "id": "289", "seqid": 28, "position": { - "x": 86.400002, - "y": -3.200000 + "x": 54.000000, + "y": -2.000000 }, "alias": "dR", "templateId": "dR___Deoxy-Ribose" @@ -9050,8 +9050,8 @@ "id": "290", "seqid": 28, "position": { - "x": 86.400002, - "y": -4.800000 + "x": 54.000000, + "y": -3.000000 }, "alias": "G", "templateId": "G___Guanine" @@ -9061,8 +9061,8 @@ "id": "291", "seqid": 27, "position": { - "x": 84.800003, - "y": -3.200000 + "x": 53.000000, + "y": -2.000000 }, "alias": "P", "templateId": "P___Phosphate" @@ -9072,8 +9072,8 @@ "id": "292", "seqid": 29, "position": { - "x": 89.599998, - "y": -3.200000 + "x": 56.000000, + "y": -2.000000 }, "alias": "dR", "templateId": "dR___Deoxy-Ribose" @@ -9083,8 +9083,8 @@ "id": "293", "seqid": 29, "position": { - "x": 89.599998, - "y": -4.800000 + "x": 56.000000, + "y": -3.000000 }, "alias": "G", "templateId": "G___Guanine" @@ -9094,8 +9094,8 @@ "id": "294", "seqid": 28, "position": { - "x": 88.000000, - "y": -3.200000 + "x": 55.000000, + "y": -2.000000 }, "alias": "P", "templateId": "P___Phosphate" @@ -9105,8 +9105,8 @@ "id": "295", "seqid": 30, "position": { - "x": 92.800003, - "y": -3.200000 + "x": 58.000000, + "y": -2.000000 }, "alias": "dR", "templateId": "dR___Deoxy-Ribose" @@ -9116,8 +9116,8 @@ "id": "296", "seqid": 30, "position": { - "x": 92.800003, - "y": -4.800000 + "x": 58.000000, + "y": -3.000000 }, "alias": "G", "templateId": "G___Guanine" @@ -9127,8 +9127,8 @@ "id": "297", "seqid": 29, "position": { - "x": 91.200005, - "y": -3.200000 + "x": 57.000000, + "y": -2.000000 }, "alias": "P", "templateId": "P___Phosphate" @@ -9138,8 +9138,8 @@ "id": "298", "seqid": 31, "position": { - "x": 96.000000, - "y": -3.200000 + "x": 60.000000, + "y": -2.000000 }, "alias": "dR", "templateId": "dR___Deoxy-Ribose" @@ -9149,8 +9149,8 @@ "id": "299", "seqid": 31, "position": { - "x": 96.000000, - "y": -4.800000 + "x": 60.000000, + "y": -3.000000 }, "alias": "T", "templateId": "T___Thymine" @@ -9160,8 +9160,8 @@ "id": "300", "seqid": 30, "position": { - "x": 94.400002, - "y": -3.200000 + "x": 59.000000, + "y": -2.000000 }, "alias": "P", "templateId": "P___Phosphate" @@ -9171,8 +9171,8 @@ "id": "301", "seqid": 32, "position": { - "x": 99.200005, - "y": -3.200000 + "x": 62.000000, + "y": -2.000000 }, "alias": "dR", "templateId": "dR___Deoxy-Ribose" @@ -9182,8 +9182,8 @@ "id": "302", "seqid": 32, "position": { - "x": 99.200005, - "y": -4.800000 + "x": 62.000000, + "y": -3.000000 }, "alias": "T", "templateId": "T___Thymine" @@ -9193,8 +9193,8 @@ "id": "303", "seqid": 31, "position": { - "x": 97.600006, - "y": -3.200000 + "x": 61.000000, + "y": -2.000000 }, "alias": "P", "templateId": "P___Phosphate" @@ -9204,8 +9204,8 @@ "id": "304", "seqid": 33, "position": { - "x": 102.400002, - "y": -3.200000 + "x": 64.000000, + "y": -2.000000 }, "alias": "dR", "templateId": "dR___Deoxy-Ribose" @@ -9215,8 +9215,8 @@ "id": "305", "seqid": 33, "position": { - "x": 102.400002, - "y": -4.800000 + "x": 64.000000, + "y": -3.000000 }, "alias": "C", "templateId": "C___Cytosine" @@ -9226,8 +9226,8 @@ "id": "306", "seqid": 32, "position": { - "x": 100.800003, - "y": -3.200000 + "x": 63.000000, + "y": -2.000000 }, "alias": "P", "templateId": "P___Phosphate" @@ -9237,8 +9237,8 @@ "id": "307", "seqid": 34, "position": { - "x": 105.599998, - "y": -3.200000 + "x": 66.000000, + "y": -2.000000 }, "alias": "dR", "templateId": "dR___Deoxy-Ribose" @@ -9248,8 +9248,8 @@ "id": "308", "seqid": 34, "position": { - "x": 105.599998, - "y": -4.800000 + "x": 66.000000, + "y": -3.000000 }, "alias": "T", "templateId": "T___Thymine" @@ -9259,8 +9259,8 @@ "id": "309", "seqid": 33, "position": { - "x": 104.000000, - "y": -3.200000 + "x": 65.000000, + "y": -2.000000 }, "alias": "P", "templateId": "P___Phosphate" @@ -9270,8 +9270,8 @@ "id": "310", "seqid": 35, "position": { - "x": 108.800003, - "y": -3.200000 + "x": 68.000000, + "y": -2.000000 }, "alias": "dR", "templateId": "dR___Deoxy-Ribose" @@ -9281,8 +9281,8 @@ "id": "311", "seqid": 35, "position": { - "x": 108.800003, - "y": -4.800000 + "x": 68.000000, + "y": -3.000000 }, "alias": "T", "templateId": "T___Thymine" @@ -9292,8 +9292,8 @@ "id": "312", "seqid": 34, "position": { - "x": 107.200005, - "y": -3.200000 + "x": 67.000000, + "y": -2.000000 }, "alias": "P", "templateId": "P___Phosphate" @@ -9303,8 +9303,8 @@ "id": "313", "seqid": 36, "position": { - "x": 112.000000, - "y": -3.200000 + "x": 70.000000, + "y": -2.000000 }, "alias": "dR", "templateId": "dR___Deoxy-Ribose" @@ -9314,8 +9314,8 @@ "id": "314", "seqid": 36, "position": { - "x": 112.000000, - "y": -4.800000 + "x": 70.000000, + "y": -3.000000 }, "alias": "G", "templateId": "G___Guanine" @@ -9325,8 +9325,8 @@ "id": "315", "seqid": 35, "position": { - "x": 110.400002, - "y": -3.200000 + "x": 69.000000, + "y": -2.000000 }, "alias": "P", "templateId": "P___Phosphate" @@ -9336,8 +9336,8 @@ "id": "316", "seqid": 37, "position": { - "x": 115.200005, - "y": -3.200000 + "x": 72.000000, + "y": -2.000000 }, "alias": "dR", "templateId": "dR___Deoxy-Ribose" @@ -9347,8 +9347,8 @@ "id": "317", "seqid": 37, "position": { - "x": 115.200005, - "y": -4.800000 + "x": 72.000000, + "y": -3.000000 }, "alias": "G", "templateId": "G___Guanine" @@ -9358,8 +9358,8 @@ "id": "318", "seqid": 36, "position": { - "x": 113.600006, - "y": -3.200000 + "x": 71.000000, + "y": -2.000000 }, "alias": "P", "templateId": "P___Phosphate" @@ -9369,8 +9369,8 @@ "id": "319", "seqid": 38, "position": { - "x": 118.400002, - "y": -3.200000 + "x": 74.000000, + "y": -2.000000 }, "alias": "dR", "templateId": "dR___Deoxy-Ribose" @@ -9380,8 +9380,8 @@ "id": "320", "seqid": 38, "position": { - "x": 118.400002, - "y": -4.800000 + "x": 74.000000, + "y": -3.000000 }, "alias": "G", "templateId": "G___Guanine" @@ -9391,8 +9391,8 @@ "id": "321", "seqid": 37, "position": { - "x": 116.800003, - "y": -3.200000 + "x": 73.000000, + "y": -2.000000 }, "alias": "P", "templateId": "P___Phosphate" @@ -9402,8 +9402,8 @@ "id": "322", "seqid": 39, "position": { - "x": 121.599998, - "y": -3.200000 + "x": 76.000000, + "y": -2.000000 }, "alias": "dR", "templateId": "dR___Deoxy-Ribose" @@ -9413,8 +9413,8 @@ "id": "323", "seqid": 39, "position": { - "x": 121.599998, - "y": -4.800000 + "x": 76.000000, + "y": -3.000000 }, "alias": "A", "templateId": "A___Adenine" @@ -9424,8 +9424,8 @@ "id": "324", "seqid": 38, "position": { - "x": 120.000000, - "y": -3.200000 + "x": 75.000000, + "y": -2.000000 }, "alias": "P", "templateId": "P___Phosphate" @@ -9435,8 +9435,8 @@ "id": "325", "seqid": 40, "position": { - "x": 124.800003, - "y": -3.200000 + "x": 78.000000, + "y": -2.000000 }, "alias": "dR", "templateId": "dR___Deoxy-Ribose" @@ -9446,8 +9446,8 @@ "id": "326", "seqid": 40, "position": { - "x": 124.800003, - "y": -4.800000 + "x": 78.000000, + "y": -3.000000 }, "alias": "G", "templateId": "G___Guanine" @@ -9457,8 +9457,8 @@ "id": "327", "seqid": 39, "position": { - "x": 123.200005, - "y": -3.200000 + "x": 77.000000, + "y": -2.000000 }, "alias": "P", "templateId": "P___Phosphate" @@ -9468,8 +9468,8 @@ "id": "328", "seqid": 41, "position": { - "x": 128.000000, - "y": -3.200000 + "x": 80.000000, + "y": -2.000000 }, "alias": "dR", "templateId": "dR___Deoxy-Ribose" @@ -9479,8 +9479,8 @@ "id": "329", "seqid": 41, "position": { - "x": 128.000000, - "y": -4.800000 + "x": 80.000000, + "y": -3.000000 }, "alias": "C", "templateId": "C___Cytosine" @@ -9490,8 +9490,8 @@ "id": "330", "seqid": 40, "position": { - "x": 126.400002, - "y": -3.200000 + "x": 79.000000, + "y": -2.000000 }, "alias": "P", "templateId": "P___Phosphate" @@ -9501,8 +9501,8 @@ "id": "331", "seqid": 42, "position": { - "x": 131.199997, - "y": -3.200000 + "x": 82.000000, + "y": -2.000000 }, "alias": "dR", "templateId": "dR___Deoxy-Ribose" @@ -9512,8 +9512,8 @@ "id": "332", "seqid": 42, "position": { - "x": 131.199997, - "y": -4.800000 + "x": 82.000000, + "y": -3.000000 }, "alias": "A", "templateId": "A___Adenine" @@ -9523,8 +9523,8 @@ "id": "333", "seqid": 41, "position": { - "x": 129.599991, - "y": -3.200000 + "x": 81.000000, + "y": -2.000000 }, "alias": "P", "templateId": "P___Phosphate" @@ -9534,8 +9534,8 @@ "id": "334", "seqid": 43, "position": { - "x": 134.400009, - "y": -3.200000 + "x": 84.000000, + "y": -2.000000 }, "alias": "dR", "templateId": "dR___Deoxy-Ribose" @@ -9545,8 +9545,8 @@ "id": "335", "seqid": 43, "position": { - "x": 134.400009, - "y": -4.800000 + "x": 84.000000, + "y": -3.000000 }, "alias": "G", "templateId": "G___Guanine" @@ -9556,8 +9556,8 @@ "id": "336", "seqid": 42, "position": { - "x": 132.800003, - "y": -3.200000 + "x": 83.000000, + "y": -2.000000 }, "alias": "P", "templateId": "P___Phosphate" @@ -9567,8 +9567,8 @@ "id": "337", "seqid": 44, "position": { - "x": 137.600006, - "y": -3.200000 + "x": 86.000000, + "y": -2.000000 }, "alias": "dR", "templateId": "dR___Deoxy-Ribose" @@ -9578,8 +9578,8 @@ "id": "338", "seqid": 44, "position": { - "x": 137.600006, - "y": -4.800000 + "x": 86.000000, + "y": -3.000000 }, "alias": "C", "templateId": "C___Cytosine" @@ -9589,8 +9589,8 @@ "id": "339", "seqid": 43, "position": { - "x": 136.000000, - "y": -3.200000 + "x": 85.000000, + "y": -2.000000 }, "alias": "P", "templateId": "P___Phosphate" @@ -9600,8 +9600,8 @@ "id": "340", "seqid": 45, "position": { - "x": 140.800003, - "y": -3.200000 + "x": 88.000000, + "y": -2.000000 }, "alias": "dR", "templateId": "dR___Deoxy-Ribose" @@ -9611,8 +9611,8 @@ "id": "341", "seqid": 45, "position": { - "x": 140.800003, - "y": -4.800000 + "x": 88.000000, + "y": -3.000000 }, "alias": "A", "templateId": "A___Adenine" @@ -9622,8 +9622,8 @@ "id": "342", "seqid": 44, "position": { - "x": 139.199997, - "y": -3.200000 + "x": 87.000000, + "y": -2.000000 }, "alias": "P", "templateId": "P___Phosphate" @@ -9633,8 +9633,8 @@ "id": "343", "seqid": 46, "position": { - "x": 144.000000, - "y": -3.200000 + "x": 90.000000, + "y": -2.000000 }, "alias": "dR", "templateId": "dR___Deoxy-Ribose" @@ -9644,8 +9644,8 @@ "id": "344", "seqid": 46, "position": { - "x": 144.000000, - "y": -4.800000 + "x": 90.000000, + "y": -3.000000 }, "alias": "G", "templateId": "G___Guanine" @@ -9655,8 +9655,8 @@ "id": "345", "seqid": 45, "position": { - "x": 142.399994, - "y": -3.200000 + "x": 89.000000, + "y": -2.000000 }, "alias": "P", "templateId": "P___Phosphate" @@ -9666,8 +9666,8 @@ "id": "346", "seqid": 47, "position": { - "x": 147.199997, - "y": -3.200000 + "x": 92.000000, + "y": -2.000000 }, "alias": "dR", "templateId": "dR___Deoxy-Ribose" @@ -9677,8 +9677,8 @@ "id": "347", "seqid": 47, "position": { - "x": 147.199997, - "y": -4.800000 + "x": 92.000000, + "y": -3.000000 }, "alias": "G", "templateId": "G___Guanine" @@ -9688,8 +9688,8 @@ "id": "348", "seqid": 46, "position": { - "x": 145.599991, - "y": -3.200000 + "x": 91.000000, + "y": -2.000000 }, "alias": "P", "templateId": "P___Phosphate" @@ -9699,8 +9699,8 @@ "id": "349", "seqid": 48, "position": { - "x": 150.400009, - "y": -3.200000 + "x": 94.000000, + "y": -2.000000 }, "alias": "dR", "templateId": "dR___Deoxy-Ribose" @@ -9710,8 +9710,8 @@ "id": "350", "seqid": 48, "position": { - "x": 150.400009, - "y": -4.800000 + "x": 94.000000, + "y": -3.000000 }, "alias": "A", "templateId": "A___Adenine" @@ -9721,8 +9721,8 @@ "id": "351", "seqid": 47, "position": { - "x": 148.800003, - "y": -3.200000 + "x": 93.000000, + "y": -2.000000 }, "alias": "P", "templateId": "P___Phosphate" @@ -9732,8 +9732,8 @@ "id": "352", "seqid": 49, "position": { - "x": 153.600006, - "y": -3.200000 + "x": 96.000000, + "y": -2.000000 }, "alias": "dR", "templateId": "dR___Deoxy-Ribose" @@ -9743,8 +9743,8 @@ "id": "353", "seqid": 49, "position": { - "x": 153.600006, - "y": -4.800000 + "x": 96.000000, + "y": -3.000000 }, "alias": "A", "templateId": "A___Adenine" @@ -9754,8 +9754,8 @@ "id": "354", "seqid": 48, "position": { - "x": 152.000000, - "y": -3.200000 + "x": 95.000000, + "y": -2.000000 }, "alias": "P", "templateId": "P___Phosphate" @@ -9765,8 +9765,8 @@ "id": "355", "seqid": 50, "position": { - "x": 156.800003, - "y": -3.200000 + "x": 98.000000, + "y": -2.000000 }, "alias": "dR", "templateId": "dR___Deoxy-Ribose" @@ -9776,8 +9776,8 @@ "id": "356", "seqid": 50, "position": { - "x": 156.800003, - "y": -4.800000 + "x": 98.000000, + "y": -3.000000 }, "alias": "G", "templateId": "G___Guanine" @@ -9787,8 +9787,8 @@ "id": "357", "seqid": 49, "position": { - "x": 155.199997, - "y": -3.200000 + "x": 97.000000, + "y": -2.000000 }, "alias": "P", "templateId": "P___Phosphate" @@ -9798,8 +9798,8 @@ "id": "358", "seqid": 51, "position": { - "x": 160.000000, - "y": -3.200000 + "x": 100.000000, + "y": -2.000000 }, "alias": "dR", "templateId": "dR___Deoxy-Ribose" @@ -9809,8 +9809,8 @@ "id": "359", "seqid": 51, "position": { - "x": 160.000000, - "y": -4.800000 + "x": 100.000000, + "y": -3.000000 }, "alias": "C", "templateId": "C___Cytosine" @@ -9820,8 +9820,8 @@ "id": "360", "seqid": 50, "position": { - "x": 158.399994, - "y": -3.200000 + "x": 99.000000, + "y": -2.000000 }, "alias": "P", "templateId": "P___Phosphate" @@ -9831,8 +9831,8 @@ "id": "361", "seqid": 52, "position": { - "x": 163.199997, - "y": -3.200000 + "x": 102.000000, + "y": -2.000000 }, "alias": "dR", "templateId": "dR___Deoxy-Ribose" @@ -9842,8 +9842,8 @@ "id": "362", "seqid": 52, "position": { - "x": 163.199997, - "y": -4.800000 + "x": 102.000000, + "y": -3.000000 }, "alias": "A", "templateId": "A___Adenine" @@ -9853,8 +9853,8 @@ "id": "363", "seqid": 51, "position": { - "x": 161.599991, - "y": -3.200000 + "x": 101.000000, + "y": -2.000000 }, "alias": "P", "templateId": "P___Phosphate" @@ -9864,8 +9864,8 @@ "id": "364", "seqid": 53, "position": { - "x": 166.400009, - "y": -3.200000 + "x": 104.000000, + "y": -2.000000 }, "alias": "dR", "templateId": "dR___Deoxy-Ribose" @@ -9875,8 +9875,8 @@ "id": "365", "seqid": 53, "position": { - "x": 166.400009, - "y": -4.800000 + "x": 104.000000, + "y": -3.000000 }, "alias": "C", "templateId": "C___Cytosine" @@ -9886,8 +9886,8 @@ "id": "366", "seqid": 52, "position": { - "x": 164.800003, - "y": -3.200000 + "x": 103.000000, + "y": -2.000000 }, "alias": "P", "templateId": "P___Phosphate" @@ -9897,8 +9897,8 @@ "id": "367", "seqid": 54, "position": { - "x": 169.600006, - "y": -3.200000 + "x": 106.000000, + "y": -2.000000 }, "alias": "dR", "templateId": "dR___Deoxy-Ribose" @@ -9908,8 +9908,8 @@ "id": "368", "seqid": 54, "position": { - "x": 169.600006, - "y": -4.800000 + "x": 106.000000, + "y": -3.000000 }, "alias": "T", "templateId": "T___Thymine" @@ -9919,8 +9919,8 @@ "id": "369", "seqid": 53, "position": { - "x": 168.000000, - "y": -3.200000 + "x": 105.000000, + "y": -2.000000 }, "alias": "P", "templateId": "P___Phosphate" @@ -9930,8 +9930,8 @@ "id": "370", "seqid": 55, "position": { - "x": 172.800003, - "y": -3.200000 + "x": 108.000000, + "y": -2.000000 }, "alias": "dR", "templateId": "dR___Deoxy-Ribose" @@ -9941,8 +9941,8 @@ "id": "371", "seqid": 55, "position": { - "x": 172.800003, - "y": -4.800000 + "x": 108.000000, + "y": -3.000000 }, "alias": "A", "templateId": "A___Adenine" @@ -9952,8 +9952,8 @@ "id": "372", "seqid": 54, "position": { - "x": 171.199997, - "y": -3.200000 + "x": 107.000000, + "y": -2.000000 }, "alias": "P", "templateId": "P___Phosphate" @@ -9963,8 +9963,8 @@ "id": "373", "seqid": 56, "position": { - "x": 176.000000, - "y": -3.200000 + "x": 110.000000, + "y": -2.000000 }, "alias": "dR", "templateId": "dR___Deoxy-Ribose" @@ -9974,8 +9974,8 @@ "id": "374", "seqid": 56, "position": { - "x": 176.000000, - "y": -4.800000 + "x": 110.000000, + "y": -3.000000 }, "alias": "T", "templateId": "T___Thymine" @@ -9985,8 +9985,8 @@ "id": "375", "seqid": 55, "position": { - "x": 174.399994, - "y": -3.200000 + "x": 109.000000, + "y": -2.000000 }, "alias": "P", "templateId": "P___Phosphate" @@ -9996,8 +9996,8 @@ "id": "376", "seqid": 57, "position": { - "x": 179.199997, - "y": -3.200000 + "x": 112.000000, + "y": -2.000000 }, "alias": "dR", "templateId": "dR___Deoxy-Ribose" @@ -10007,8 +10007,8 @@ "id": "377", "seqid": 57, "position": { - "x": 179.199997, - "y": -4.800000 + "x": 112.000000, + "y": -3.000000 }, "alias": "G", "templateId": "G___Guanine" @@ -10018,8 +10018,8 @@ "id": "378", "seqid": 56, "position": { - "x": 177.599991, - "y": -3.200000 + "x": 111.000000, + "y": -2.000000 }, "alias": "P", "templateId": "P___Phosphate" @@ -10029,8 +10029,8 @@ "id": "379", "seqid": 58, "position": { - "x": 182.400009, - "y": -3.200000 + "x": 114.000000, + "y": -2.000000 }, "alias": "dR", "templateId": "dR___Deoxy-Ribose" @@ -10040,8 +10040,8 @@ "id": "380", "seqid": 58, "position": { - "x": 182.400009, - "y": -4.800000 + "x": 114.000000, + "y": -3.000000 }, "alias": "G", "templateId": "G___Guanine" @@ -10051,8 +10051,8 @@ "id": "381", "seqid": 57, "position": { - "x": 180.800003, - "y": -3.200000 + "x": 113.000000, + "y": -2.000000 }, "alias": "P", "templateId": "P___Phosphate" @@ -10062,8 +10062,8 @@ "id": "382", "seqid": 59, "position": { - "x": 185.600006, - "y": -3.200000 + "x": 116.000000, + "y": -2.000000 }, "alias": "dR", "templateId": "dR___Deoxy-Ribose" @@ -10073,8 +10073,8 @@ "id": "383", "seqid": 59, "position": { - "x": 185.600006, - "y": -4.800000 + "x": 116.000000, + "y": -3.000000 }, "alias": "G", "templateId": "G___Guanine" @@ -10084,8 +10084,8 @@ "id": "384", "seqid": 58, "position": { - "x": 184.000000, - "y": -3.200000 + "x": 115.000000, + "y": -2.000000 }, "alias": "P", "templateId": "P___Phosphate" @@ -10095,8 +10095,8 @@ "id": "385", "seqid": 60, "position": { - "x": 188.800003, - "y": -3.200000 + "x": 118.000000, + "y": -2.000000 }, "alias": "dR", "templateId": "dR___Deoxy-Ribose" @@ -10106,8 +10106,8 @@ "id": "386", "seqid": 60, "position": { - "x": 188.800003, - "y": -4.800000 + "x": 118.000000, + "y": -3.000000 }, "alias": "C", "templateId": "C___Cytosine" @@ -10117,8 +10117,8 @@ "id": "387", "seqid": 59, "position": { - "x": 187.199997, - "y": -3.200000 + "x": 117.000000, + "y": -2.000000 }, "alias": "P", "templateId": "P___Phosphate" @@ -10128,8 +10128,8 @@ "id": "388", "seqid": 61, "position": { - "x": 192.000000, - "y": -3.200000 + "x": 120.000000, + "y": -2.000000 }, "alias": "dR", "templateId": "dR___Deoxy-Ribose" @@ -10139,8 +10139,8 @@ "id": "389", "seqid": 61, "position": { - "x": 192.000000, - "y": -4.800000 + "x": 120.000000, + "y": -3.000000 }, "alias": "G", "templateId": "G___Guanine" @@ -10150,8 +10150,8 @@ "id": "390", "seqid": 60, "position": { - "x": 190.399994, - "y": -3.200000 + "x": 119.000000, + "y": -2.000000 }, "alias": "P", "templateId": "P___Phosphate" @@ -10161,8 +10161,8 @@ "id": "391", "seqid": 62, "position": { - "x": 195.199997, - "y": -3.200000 + "x": 122.000000, + "y": -2.000000 }, "alias": "dR", "templateId": "dR___Deoxy-Ribose" @@ -10172,8 +10172,8 @@ "id": "392", "seqid": 62, "position": { - "x": 195.199997, - "y": -4.800000 + "x": 122.000000, + "y": -3.000000 }, "alias": "C", "templateId": "C___Cytosine" @@ -10183,8 +10183,8 @@ "id": "393", "seqid": 61, "position": { - "x": 193.599991, - "y": -3.200000 + "x": 121.000000, + "y": -2.000000 }, "alias": "P", "templateId": "P___Phosphate" @@ -10194,8 +10194,8 @@ "id": "394", "seqid": 63, "position": { - "x": 198.400009, - "y": -3.200000 + "x": 124.000000, + "y": -2.000000 }, "alias": "dR", "templateId": "dR___Deoxy-Ribose" @@ -10205,8 +10205,8 @@ "id": "395", "seqid": 63, "position": { - "x": 198.400009, - "y": -4.800000 + "x": 124.000000, + "y": -3.000000 }, "alias": "A", "templateId": "A___Adenine" @@ -10216,8 +10216,8 @@ "id": "396", "seqid": 62, "position": { - "x": 196.800003, - "y": -3.200000 + "x": 123.000000, + "y": -2.000000 }, "alias": "P", "templateId": "P___Phosphate" @@ -10227,8 +10227,8 @@ "id": "397", "seqid": 64, "position": { - "x": 201.600006, - "y": -3.200000 + "x": 126.000000, + "y": -2.000000 }, "alias": "dR", "templateId": "dR___Deoxy-Ribose" @@ -10238,8 +10238,8 @@ "id": "398", "seqid": 64, "position": { - "x": 201.600006, - "y": -4.800000 + "x": 126.000000, + "y": -3.000000 }, "alias": "G", "templateId": "G___Guanine" @@ -10249,8 +10249,8 @@ "id": "399", "seqid": 63, "position": { - "x": 200.000000, - "y": -3.200000 + "x": 125.000000, + "y": -2.000000 }, "alias": "P", "templateId": "P___Phosphate" @@ -10260,8 +10260,8 @@ "id": "400", "seqid": 65, "position": { - "x": 204.800003, - "y": -3.200000 + "x": 128.000000, + "y": -2.000000 }, "alias": "dR", "templateId": "dR___Deoxy-Ribose" @@ -10271,8 +10271,8 @@ "id": "401", "seqid": 65, "position": { - "x": 204.800003, - "y": -4.800000 + "x": 128.000000, + "y": -3.000000 }, "alias": "C", "templateId": "C___Cytosine" @@ -10282,8 +10282,8 @@ "id": "402", "seqid": 64, "position": { - "x": 203.199997, - "y": -3.200000 + "x": 127.000000, + "y": -2.000000 }, "alias": "P", "templateId": "P___Phosphate" @@ -10293,8 +10293,8 @@ "id": "403", "seqid": 66, "position": { - "x": 208.000000, - "y": -3.200000 + "x": 130.000000, + "y": -2.000000 }, "alias": "dR", "templateId": "dR___Deoxy-Ribose" @@ -10304,8 +10304,8 @@ "id": "404", "seqid": 66, "position": { - "x": 208.000000, - "y": -4.800000 + "x": 130.000000, + "y": -3.000000 }, "alias": "C", "templateId": "C___Cytosine" @@ -10315,8 +10315,8 @@ "id": "405", "seqid": 65, "position": { - "x": 206.399994, - "y": -3.200000 + "x": 129.000000, + "y": -2.000000 }, "alias": "P", "templateId": "P___Phosphate" @@ -10326,8 +10326,8 @@ "id": "406", "seqid": 67, "position": { - "x": 211.199997, - "y": -3.200000 + "x": 132.000000, + "y": -2.000000 }, "alias": "dR", "templateId": "dR___Deoxy-Ribose" @@ -10337,8 +10337,8 @@ "id": "407", "seqid": 67, "position": { - "x": 211.199997, - "y": -4.800000 + "x": 132.000000, + "y": -3.000000 }, "alias": "T", "templateId": "T___Thymine" @@ -10348,8 +10348,8 @@ "id": "408", "seqid": 66, "position": { - "x": 209.599991, - "y": -3.200000 + "x": 131.000000, + "y": -2.000000 }, "alias": "P", "templateId": "P___Phosphate" @@ -10359,8 +10359,8 @@ "id": "409", "seqid": 68, "position": { - "x": 214.400009, - "y": -3.200000 + "x": 134.000000, + "y": -2.000000 }, "alias": "dR", "templateId": "dR___Deoxy-Ribose" @@ -10370,8 +10370,8 @@ "id": "410", "seqid": 68, "position": { - "x": 214.400009, - "y": -4.800000 + "x": 134.000000, + "y": -3.000000 }, "alias": "C", "templateId": "C___Cytosine" @@ -10381,8 +10381,8 @@ "id": "411", "seqid": 67, "position": { - "x": 212.800003, - "y": -3.200000 + "x": 133.000000, + "y": -2.000000 }, "alias": "P", "templateId": "P___Phosphate" @@ -10392,8 +10392,8 @@ "id": "412", "seqid": 69, "position": { - "x": 217.600006, - "y": -3.200000 + "x": 136.000000, + "y": -2.000000 }, "alias": "dR", "templateId": "dR___Deoxy-Ribose" @@ -10403,8 +10403,8 @@ "id": "413", "seqid": 69, "position": { - "x": 217.600006, - "y": -4.800000 + "x": 136.000000, + "y": -3.000000 }, "alias": "A", "templateId": "A___Adenine" @@ -10414,8 +10414,8 @@ "id": "414", "seqid": 68, "position": { - "x": 216.000000, - "y": -3.200000 + "x": 135.000000, + "y": -2.000000 }, "alias": "P", "templateId": "P___Phosphate" @@ -10425,8 +10425,8 @@ "id": "415", "seqid": 70, "position": { - "x": 220.800003, - "y": -3.200000 + "x": 138.000000, + "y": -2.000000 }, "alias": "dR", "templateId": "dR___Deoxy-Ribose" @@ -10436,8 +10436,8 @@ "id": "416", "seqid": 70, "position": { - "x": 220.800003, - "y": -4.800000 + "x": 138.000000, + "y": -3.000000 }, "alias": "A", "templateId": "A___Adenine" @@ -10447,8 +10447,8 @@ "id": "417", "seqid": 69, "position": { - "x": 219.199997, - "y": -3.200000 + "x": 137.000000, + "y": -2.000000 }, "alias": "P", "templateId": "P___Phosphate" diff --git a/api/tests/integration/tests/formats/ref/pathway1.cdxml b/api/tests/integration/tests/formats/ref/pathway1.cdxml index 62e8365daa..5cc5819c6d 100644 --- a/api/tests/integration/tests/formats/ref/pathway1.cdxml +++ b/api/tests/integration/tests/formats/ref/pathway1.cdxml @@ -18,12 +18,12 @@ - - - - - - + + + + + + @@ -32,11 +32,11 @@ - - - - - + + + + + @@ -44,13 +44,13 @@ - - - - - - - + + + + + + + @@ -60,13 +60,13 @@ - - - - - - - + + + + + + + @@ -76,14 +76,14 @@ - - - - - - - - + + + + + + + + @@ -94,15 +94,15 @@ - - - - - - - - - + + + + + + + + + diff --git a/api/tests/integration/tests/formats/ref/pathway10.cdxml b/api/tests/integration/tests/formats/ref/pathway10.cdxml index e89971e211..d192d2fba9 100644 --- a/api/tests/integration/tests/formats/ref/pathway10.cdxml +++ b/api/tests/integration/tests/formats/ref/pathway10.cdxml @@ -18,12 +18,12 @@ - - - - - - + + + + + + F @@ -34,11 +34,11 @@ - - - - - + + + + + Cl @@ -48,11 +48,11 @@ - - - - - + + + + + @@ -60,12 +60,12 @@ - - - - - - + + + + + + @@ -74,11 +74,11 @@ - - - - - + + + + + OH @@ -88,12 +88,12 @@ - - - - - - + + + + + + @@ -102,12 +102,12 @@ - - - - - - + + + + + + NH 2 @@ -119,13 +119,13 @@ - - - - - - - + + + + + + + SH @@ -137,12 +137,12 @@ - - - - - - + + + + + + PH 2 @@ -154,42 +154,42 @@ - - + + OH - - + + OH - - + + OH - - + + OH - - + + O - - + + OH - - - - - - + + + + + + @@ -202,8 +202,8 @@ - - + + Chiral diff --git a/api/tests/integration/tests/formats/ref/pathway11.cdxml b/api/tests/integration/tests/formats/ref/pathway11.cdxml index 563cfafb00..fd17f7b0e1 100644 --- a/api/tests/integration/tests/formats/ref/pathway11.cdxml +++ b/api/tests/integration/tests/formats/ref/pathway11.cdxml @@ -18,13 +18,13 @@ - - - - - - - + + + + + + + OH @@ -35,30 +35,30 @@ - - + + NH 2 - - - + + + O - - - - - - - + + + + + + + OH - - + + @@ -72,35 +72,35 @@ - - - - - - - + + + + + + + O - - - - - - - - + + + + + + + + NH 2 - - + + O - - + + @@ -119,14 +119,14 @@ - - + + Cl - - - + + + I @@ -134,37 +134,37 @@ - - + + NH 2 - - - + + + O - - - - - - - + + + + + + + O - - - - + + + + O - - + + @@ -181,17 +181,17 @@ - - - - - + + + + + N - - - + + + S @@ -202,20 +202,20 @@ - - + + NH 2 - - - - - - - - + + + + + + + + OH @@ -229,28 +229,28 @@ - - - - - + + + + + NH - - - + + + N - - - - - - - - + + + + + + + + O @@ -270,43 +270,43 @@ - - + + NH 2 - - - + + + O - - - - - - - + + + + + + + O - - - - + + + + OH - - - + + + Cl - - + + @@ -325,60 +325,60 @@ - - - - - + + + + + N - - - - + + + + OH - - - + + + O - - - - - - - - + + + + + + + + NH 2 - - + + O - - - - - + + + + + N - - - - - - - - + + + + + + + + O @@ -414,46 +414,46 @@ - - - - - + + + + + NH - - - - + + + + OH - - - + + + O - - - - - - - - + + + + + + + + NH 2 - - + + O - - + + @@ -474,8 +474,8 @@ - - + + diff --git a/api/tests/integration/tests/formats/ref/pathway2.cdxml b/api/tests/integration/tests/formats/ref/pathway2.cdxml index d1652d6ad1..e05883ff2e 100644 --- a/api/tests/integration/tests/formats/ref/pathway2.cdxml +++ b/api/tests/integration/tests/formats/ref/pathway2.cdxml @@ -18,12 +18,12 @@ - - - - - - + + + + + + @@ -32,11 +32,11 @@ - - - - - + + + + + @@ -44,13 +44,13 @@ - - - - - - - + + + + + + + @@ -60,13 +60,13 @@ - - - - - - - + + + + + + + @@ -76,15 +76,15 @@ - - - - - - - - - + + + + + + + + + diff --git a/api/tests/integration/tests/formats/ref/pathway3.cdxml b/api/tests/integration/tests/formats/ref/pathway3.cdxml index b49f31a2a5..2eadc08ed3 100644 --- a/api/tests/integration/tests/formats/ref/pathway3.cdxml +++ b/api/tests/integration/tests/formats/ref/pathway3.cdxml @@ -18,12 +18,12 @@ - - - - - - + + + + + + @@ -32,11 +32,11 @@ - - - - - + + + + + @@ -44,13 +44,13 @@ - - - - - - - + + + + + + + @@ -60,15 +60,15 @@ - - - - - - - - - + + + + + + + + + @@ -79,7 +79,7 @@ - + diff --git a/api/tests/integration/tests/formats/ref/pathway4.cdxml b/api/tests/integration/tests/formats/ref/pathway4.cdxml index 1ed864bed8..6b241ab992 100644 --- a/api/tests/integration/tests/formats/ref/pathway4.cdxml +++ b/api/tests/integration/tests/formats/ref/pathway4.cdxml @@ -18,11 +18,11 @@ - - - - - + + + + + @@ -30,13 +30,13 @@ - - - - - - - + + + + + + + @@ -46,15 +46,15 @@ - - - - - - - - - + + + + + + + + + @@ -65,8 +65,8 @@ - - + + diff --git a/api/tests/integration/tests/formats/ref/pathway5.cdxml b/api/tests/integration/tests/formats/ref/pathway5.cdxml index 3987968848..27f7522d3d 100644 --- a/api/tests/integration/tests/formats/ref/pathway5.cdxml +++ b/api/tests/integration/tests/formats/ref/pathway5.cdxml @@ -18,13 +18,13 @@ - - - - - - - + + + + + + + @@ -34,15 +34,15 @@ - - - - - - - - - + + + + + + + + + @@ -53,7 +53,7 @@ - + diff --git a/api/tests/integration/tests/formats/ref/pathway6.cdxml b/api/tests/integration/tests/formats/ref/pathway6.cdxml index 677e4eb1e9..61d043a231 100644 --- a/api/tests/integration/tests/formats/ref/pathway6.cdxml +++ b/api/tests/integration/tests/formats/ref/pathway6.cdxml @@ -18,12 +18,12 @@ - - - - - - + + + + + + @@ -32,11 +32,11 @@ - - - - - + + + + + @@ -44,13 +44,13 @@ - - - - - - - + + + + + + + @@ -60,13 +60,13 @@ - - - - - - - + + + + + + + @@ -76,14 +76,14 @@ - - - - - - - - + + + + + + + + @@ -94,19 +94,19 @@ - - - + + + - - - - - + + + + + @@ -114,15 +114,15 @@ - - - - - - - - - + + + + + + + + + @@ -134,14 +134,14 @@ - - - - - - - - + + + + + + + + @@ -152,22 +152,22 @@ - - - - - - - - - - - - - - - - + + + + + + + + + + + + + + + + @@ -186,8 +186,8 @@ - - + + diff --git a/api/tests/integration/tests/formats/ref/pathway7.cdxml b/api/tests/integration/tests/formats/ref/pathway7.cdxml index df7e1c3743..139011342a 100644 --- a/api/tests/integration/tests/formats/ref/pathway7.cdxml +++ b/api/tests/integration/tests/formats/ref/pathway7.cdxml @@ -18,11 +18,11 @@ - - - - - + + + + + @@ -30,12 +30,12 @@ - - - - - - + + + + + + @@ -44,13 +44,13 @@ - - - - - - - + + + + + + + @@ -60,66 +60,66 @@ - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + @@ -196,73 +196,73 @@ - - - + + + - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + @@ -338,14 +338,14 @@ - - - - - - - - + + + + + + + + @@ -355,7 +355,7 @@ - + diff --git a/api/tests/integration/tests/formats/ref/pathway8.cdxml b/api/tests/integration/tests/formats/ref/pathway8.cdxml index a81eefbfd2..01fe2a1d02 100644 --- a/api/tests/integration/tests/formats/ref/pathway8.cdxml +++ b/api/tests/integration/tests/formats/ref/pathway8.cdxml @@ -18,11 +18,11 @@ - - - - - + + + + + @@ -30,12 +30,12 @@ - - - - - - + + + + + + @@ -44,66 +44,66 @@ - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + @@ -180,12 +180,12 @@ - - - - - - + + + + + + @@ -194,65 +194,65 @@ - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + @@ -328,11 +328,11 @@ - - - - - + + + + + @@ -340,83 +340,83 @@ - - - + + + - - - - + + + + - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + @@ -492,14 +492,14 @@ - - - - - - - - + + + + + + + + @@ -509,10 +509,10 @@ - - - - + + + + diff --git a/api/tests/integration/tests/formats/ref/pathway9.cdxml b/api/tests/integration/tests/formats/ref/pathway9.cdxml index 2ddecd89a7..33dc3a2008 100644 --- a/api/tests/integration/tests/formats/ref/pathway9.cdxml +++ b/api/tests/integration/tests/formats/ref/pathway9.cdxml @@ -18,11 +18,11 @@ - - - - - + + + + + @@ -30,12 +30,12 @@ - - - - - - + + + + + + @@ -44,66 +44,66 @@ - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + @@ -180,12 +180,12 @@ - - - - - - + + + + + + @@ -194,65 +194,65 @@ - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + @@ -328,11 +328,11 @@ - - - - - + + + + + @@ -340,30 +340,30 @@ - - - + + + - - - - + + + + - - - - - - + + + + + + @@ -372,11 +372,11 @@ - - - - - + + + + + @@ -384,13 +384,13 @@ - - - - - - - + + + + + + + @@ -400,13 +400,13 @@ - - - - - - - + + + + + + + @@ -416,14 +416,14 @@ - - - - - - - - + + + + + + + + @@ -434,65 +434,65 @@ - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + @@ -568,14 +568,14 @@ - - - - - - - - + + + + + + + + @@ -586,15 +586,15 @@ - - - - - - - - - + + + + + + + + + @@ -605,10 +605,10 @@ - - - - + + + + diff --git a/api/tests/integration/tests/formats/ref/peptides_3letter.ket b/api/tests/integration/tests/formats/ref/peptides_3letter.ket index 8d29253cc6..8b036afd8a 100644 --- a/api/tests/integration/tests/formats/ref/peptides_3letter.ket +++ b/api/tests/integration/tests/formats/ref/peptides_3letter.ket @@ -454,7 +454,7 @@ "id": "1", "seqid": 2, "position": { - "x": 1.600000, + "x": 1.000000, "y": -0.000000 }, "alias": "R", @@ -465,7 +465,7 @@ "id": "2", "seqid": 3, "position": { - "x": 3.200000, + "x": 2.000000, "y": -0.000000 }, "alias": "N", @@ -476,7 +476,7 @@ "id": "3", "seqid": 4, "position": { - "x": 4.800000, + "x": 3.000000, "y": -0.000000 }, "alias": "D", @@ -487,7 +487,7 @@ "id": "4", "seqid": 5, "position": { - "x": 6.400000, + "x": 4.000000, "y": -0.000000 }, "alias": "C", @@ -498,7 +498,7 @@ "id": "5", "seqid": 6, "position": { - "x": 8.000000, + "x": 5.000000, "y": -0.000000 }, "alias": "Q", @@ -509,7 +509,7 @@ "id": "6", "seqid": 7, "position": { - "x": 9.600000, + "x": 6.000000, "y": -0.000000 }, "alias": "E", @@ -520,7 +520,7 @@ "id": "7", "seqid": 8, "position": { - "x": 11.200000, + "x": 7.000000, "y": -0.000000 }, "alias": "G", @@ -531,7 +531,7 @@ "id": "8", "seqid": 9, "position": { - "x": 12.800000, + "x": 8.000000, "y": -0.000000 }, "alias": "H", @@ -542,7 +542,7 @@ "id": "9", "seqid": 10, "position": { - "x": 14.400001, + "x": 9.000000, "y": -0.000000 }, "alias": "I", @@ -553,7 +553,7 @@ "id": "10", "seqid": 11, "position": { - "x": 16.000000, + "x": 10.000000, "y": -0.000000 }, "alias": "L", @@ -564,7 +564,7 @@ "id": "11", "seqid": 12, "position": { - "x": 17.600000, + "x": 11.000000, "y": -0.000000 }, "alias": "K", @@ -575,7 +575,7 @@ "id": "12", "seqid": 13, "position": { - "x": 19.200001, + "x": 12.000000, "y": -0.000000 }, "alias": "M", @@ -586,7 +586,7 @@ "id": "13", "seqid": 14, "position": { - "x": 20.800001, + "x": 13.000000, "y": -0.000000 }, "alias": "F", @@ -597,7 +597,7 @@ "id": "14", "seqid": 15, "position": { - "x": 22.400000, + "x": 14.000000, "y": -0.000000 }, "alias": "P", @@ -608,7 +608,7 @@ "id": "15", "seqid": 16, "position": { - "x": 24.000000, + "x": 15.000000, "y": -0.000000 }, "alias": "S", @@ -619,7 +619,7 @@ "id": "16", "seqid": 17, "position": { - "x": 25.600000, + "x": 16.000000, "y": -0.000000 }, "alias": "T", @@ -630,7 +630,7 @@ "id": "17", "seqid": 18, "position": { - "x": 27.200001, + "x": 17.000000, "y": -0.000000 }, "alias": "W", @@ -641,7 +641,7 @@ "id": "18", "seqid": 19, "position": { - "x": 28.800001, + "x": 18.000000, "y": -0.000000 }, "alias": "Y", @@ -652,7 +652,7 @@ "id": "19", "seqid": 20, "position": { - "x": 30.400000, + "x": 19.000000, "y": -0.000000 }, "alias": "V", @@ -663,7 +663,7 @@ "id": "20", "seqid": 21, "position": { - "x": 32.000000, + "x": 20.000000, "y": -0.000000 }, "alias": "U", @@ -674,7 +674,7 @@ "id": "21", "seqid": 22, "position": { - "x": 33.600002, + "x": 21.000000, "y": -0.000000 }, "alias": "O", @@ -684,7 +684,7 @@ "type": "ambiguousMonomer", "id": "22", "position": { - "x": 35.200001, + "x": 22.000000, "y": -0.000000 }, "seqid": 23, @@ -695,7 +695,7 @@ "type": "ambiguousMonomer", "id": "23", "position": { - "x": 36.799999, + "x": 23.000000, "y": -0.000000 }, "seqid": 24, @@ -706,7 +706,7 @@ "type": "ambiguousMonomer", "id": "24", "position": { - "x": 38.400002, + "x": 24.000000, "y": -0.000000 }, "seqid": 25, @@ -717,7 +717,7 @@ "type": "ambiguousMonomer", "id": "25", "position": { - "x": 40.000000, + "x": 25.000000, "y": -0.000000 }, "seqid": 26, diff --git a/api/tests/integration/tests/formats/ref/peptides_3letter_line_break.ket b/api/tests/integration/tests/formats/ref/peptides_3letter_line_break.ket index a547de82bc..eaee756cc3 100644 --- a/api/tests/integration/tests/formats/ref/peptides_3letter_line_break.ket +++ b/api/tests/integration/tests/formats/ref/peptides_3letter_line_break.ket @@ -80,7 +80,7 @@ "id": "1", "seqid": 2, "position": { - "x": 1.600000, + "x": 1.000000, "y": -0.000000 }, "alias": "R", @@ -91,7 +91,7 @@ "id": "2", "seqid": 3, "position": { - "x": 3.200000, + "x": 2.000000, "y": -0.000000 }, "alias": "N", @@ -102,7 +102,7 @@ "id": "3", "seqid": 4, "position": { - "x": 4.800000, + "x": 3.000000, "y": -0.000000 }, "alias": "D", diff --git a/api/tests/integration/tests/formats/ref/removed_phosphate.ket b/api/tests/integration/tests/formats/ref/removed_phosphate.ket index 8061c49c42..b43c83efc3 100644 --- a/api/tests/integration/tests/formats/ref/removed_phosphate.ket +++ b/api/tests/integration/tests/formats/ref/removed_phosphate.ket @@ -206,8 +206,8 @@ "id": "3", "seqid": 5, "position": { - "x": 2.8959999084472658, - "y": -7.81089973449707 + "x": 2.2960000038146974, + "y": -7.210899829864502 }, "alias": "T", "templateId": "Thy" @@ -217,7 +217,7 @@ "id": "4", "seqid": 5, "position": { - "x": 2.8959999084472658, + "x": 2.2960000038146974, "y": -6.210899829864502 }, "alias": "R", @@ -229,7 +229,7 @@ "seqid": 4, "position": { "x": 1.2156500816345215, - "y": -7.81089973449707 + "y": -7.210899829864502 }, "alias": "G", "templateId": "Gua" @@ -251,7 +251,7 @@ "seqid": 3, "position": { "x": 1.0550000667572022, - "y": -7.81089973449707 + "y": -7.210899829864502 }, "alias": "C", "templateId": "Cyt" diff --git a/api/tests/integration/tests/formats/ref/rna_acgtu.ket b/api/tests/integration/tests/formats/ref/rna_acgtu.ket index 209e48611c..53f7ab829b 100644 --- a/api/tests/integration/tests/formats/ref/rna_acgtu.ket +++ b/api/tests/integration/tests/formats/ref/rna_acgtu.ket @@ -230,7 +230,7 @@ "seqid": 1, "position": { "x": 0.000000, - "y": -1.600000 + "y": -1.000000 }, "alias": "A", "templateId": "A___Adenine" @@ -240,7 +240,7 @@ "id": "2", "seqid": 2, "position": { - "x": 3.200000, + "x": 2.000000, "y": -0.000000 }, "alias": "R", @@ -251,8 +251,8 @@ "id": "3", "seqid": 2, "position": { - "x": 3.200000, - "y": -1.600000 + "x": 2.000000, + "y": -1.000000 }, "alias": "C", "templateId": "C___Cytosine" @@ -262,7 +262,7 @@ "id": "4", "seqid": 1, "position": { - "x": 1.600000, + "x": 1.000000, "y": -0.000000 }, "alias": "P", @@ -273,7 +273,7 @@ "id": "5", "seqid": 3, "position": { - "x": 6.400000, + "x": 4.000000, "y": -0.000000 }, "alias": "R", @@ -284,8 +284,8 @@ "id": "6", "seqid": 3, "position": { - "x": 6.400000, - "y": -1.600000 + "x": 4.000000, + "y": -1.000000 }, "alias": "G", "templateId": "G___Guanine" @@ -295,7 +295,7 @@ "id": "7", "seqid": 2, "position": { - "x": 4.800000, + "x": 3.000000, "y": -0.000000 }, "alias": "P", @@ -306,7 +306,7 @@ "id": "8", "seqid": 4, "position": { - "x": 9.600000, + "x": 6.000000, "y": -0.000000 }, "alias": "R", @@ -317,8 +317,8 @@ "id": "9", "seqid": 4, "position": { - "x": 9.600000, - "y": -1.600000 + "x": 6.000000, + "y": -1.000000 }, "alias": "T", "templateId": "T___Thymine" @@ -328,7 +328,7 @@ "id": "10", "seqid": 3, "position": { - "x": 8.000000, + "x": 5.000000, "y": -0.000000 }, "alias": "P", @@ -339,7 +339,7 @@ "id": "11", "seqid": 5, "position": { - "x": 12.800000, + "x": 8.000000, "y": -0.000000 }, "alias": "R", @@ -350,8 +350,8 @@ "id": "12", "seqid": 5, "position": { - "x": 12.800000, - "y": -1.600000 + "x": 8.000000, + "y": -1.000000 }, "alias": "U", "templateId": "U___Uracil" @@ -361,7 +361,7 @@ "id": "13", "seqid": 4, "position": { - "x": 11.200000, + "x": 7.000000, "y": -0.000000 }, "alias": "P", diff --git a/api/tests/integration/tests/formats/ref/rna_mod.ket b/api/tests/integration/tests/formats/ref/rna_mod.ket index ca4d4bcddd..4c1517e016 100644 --- a/api/tests/integration/tests/formats/ref/rna_mod.ket +++ b/api/tests/integration/tests/formats/ref/rna_mod.ket @@ -748,8 +748,8 @@ "id": "14", "seqid": 17, "position": { - "x": 15.20300006866455, - "y": -7.912499904632568 + "x": 14.602999687194825, + "y": -7.3125 }, "alias": "A", "templateId": "Ade" @@ -759,7 +759,7 @@ "id": "15", "seqid": 17, "position": { - "x": 15.20300006866455, + "x": 14.602999687194825, "y": -6.3125 }, "alias": "R", @@ -771,7 +771,7 @@ "seqid": 15, "position": { "x": 13.490978240966797, - "y": -7.715175151824951 + "y": -7.115175247192383 }, "alias": "C", "templateId": "Cyt" @@ -804,7 +804,7 @@ "seqid": 14, "position": { "x": 12.918000221252442, - "y": -7.912499904632568 + "y": -7.3125 }, "alias": "A", "templateId": "Ade" @@ -826,7 +826,7 @@ "seqid": 13, "position": { "x": 12.643949508666993, - "y": -7.912499904632568 + "y": -7.3125 }, "alias": "C", "templateId": "Cyt" @@ -847,8 +847,8 @@ "id": "23", "seqid": 11, "position": { - "x": 13.284900665283204, - "y": -7.912499904632568 + "x": 12.684900283813477, + "y": -7.3125 }, "alias": "A", "templateId": "Ade" @@ -858,7 +858,7 @@ "id": "24", "seqid": 11, "position": { - "x": 13.284900665283204, + "x": 12.684900283813477, "y": -6.3125 }, "alias": "R", @@ -870,7 +870,7 @@ "seqid": 10, "position": { "x": 11.547900199890137, - "y": -7.912499904632568 + "y": -7.3125 }, "alias": "A", "templateId": "Ade" @@ -891,8 +891,8 @@ "id": "27", "seqid": 8, "position": { - "x": 12.462800025939942, - "y": -7.912499904632568 + "x": 11.862799644470215, + "y": -7.3125 }, "alias": "G", "templateId": "Gua" @@ -902,7 +902,7 @@ "id": "28", "seqid": 8, "position": { - "x": 12.462800025939942, + "x": 11.862799644470215, "y": -6.3125 }, "alias": "R", @@ -914,7 +914,7 @@ "seqid": 7, "position": { "x": 10.725799560546875, - "y": -7.912499904632568 + "y": -7.3125 }, "alias": "C", "templateId": "Cyt" @@ -936,7 +936,7 @@ "seqid": 6, "position": { "x": 10.451800346374512, - "y": -7.912499904632568 + "y": -7.3125 }, "alias": "G", "templateId": "Gua" @@ -957,8 +957,8 @@ "id": "33", "seqid": 4, "position": { - "x": 11.366800308227539, - "y": -7.912499904632568 + "x": 10.766799926757813, + "y": -7.3125 }, "alias": "G", "templateId": "Gua" @@ -968,7 +968,7 @@ "id": "34", "seqid": 4, "position": { - "x": 11.366800308227539, + "x": 10.766799926757813, "y": -6.3125 }, "alias": "R", @@ -980,7 +980,7 @@ "seqid": 3, "position": { "x": 9.629799842834473, - "y": -7.912499904632568 + "y": -7.3125 }, "alias": "C", "templateId": "Cyt" @@ -1002,7 +1002,7 @@ "seqid": 2, "position": { "x": 9.355799674987793, - "y": -7.912499904632568 + "y": -7.3125 }, "alias": "C", "templateId": "Cyt" diff --git a/api/tests/integration/tests/formats/ref/rna_variants.ket b/api/tests/integration/tests/formats/ref/rna_variants.ket index 81b11e3c33..b0a3ecdcd2 100644 --- a/api/tests/integration/tests/formats/ref/rna_variants.ket +++ b/api/tests/integration/tests/formats/ref/rna_variants.ket @@ -151,7 +151,7 @@ "id": "1", "position": { "x": 0.000000, - "y": -1.600000 + "y": -1.000000 }, "seqid": 1, "alias": "R", @@ -162,7 +162,7 @@ "id": "2", "seqid": 2, "position": { - "x": 3.200000, + "x": 2.000000, "y": -0.000000 }, "alias": "R", @@ -172,8 +172,8 @@ "type": "ambiguousMonomer", "id": "3", "position": { - "x": 3.200000, - "y": -1.600000 + "x": 2.000000, + "y": -1.000000 }, "seqid": 2, "alias": "K", @@ -184,7 +184,7 @@ "id": "4", "seqid": 1, "position": { - "x": 1.600000, + "x": 1.000000, "y": -0.000000 }, "alias": "P", @@ -195,7 +195,7 @@ "id": "5", "seqid": 3, "position": { - "x": 6.400000, + "x": 4.000000, "y": -0.000000 }, "alias": "R", @@ -205,8 +205,8 @@ "type": "ambiguousMonomer", "id": "6", "position": { - "x": 6.400000, - "y": -1.600000 + "x": 4.000000, + "y": -1.000000 }, "seqid": 3, "alias": "N", @@ -217,7 +217,7 @@ "id": "7", "seqid": 2, "position": { - "x": 4.800000, + "x": 3.000000, "y": -0.000000 }, "alias": "P", diff --git a/api/tests/integration/tests/formats/ref/spaces.ket b/api/tests/integration/tests/formats/ref/spaces.ket index 4599a4c408..590c995fb1 100644 --- a/api/tests/integration/tests/formats/ref/spaces.ket +++ b/api/tests/integration/tests/formats/ref/spaces.ket @@ -372,7 +372,7 @@ "id": "1", "seqid": 2, "position": { - "x": 1.600000, + "x": 1.000000, "y": -0.000000 }, "alias": "C", @@ -383,7 +383,7 @@ "id": "2", "seqid": 3, "position": { - "x": 3.200000, + "x": 2.000000, "y": -0.000000 }, "alias": "D", @@ -394,7 +394,7 @@ "id": "3", "seqid": 4, "position": { - "x": 4.800000, + "x": 3.000000, "y": -0.000000 }, "alias": "E", @@ -405,7 +405,7 @@ "id": "4", "seqid": 5, "position": { - "x": 6.400000, + "x": 4.000000, "y": -0.000000 }, "alias": "F", @@ -416,7 +416,7 @@ "id": "5", "seqid": 6, "position": { - "x": 8.000000, + "x": 5.000000, "y": -0.000000 }, "alias": "G", @@ -427,7 +427,7 @@ "id": "6", "seqid": 7, "position": { - "x": 9.600000, + "x": 6.000000, "y": -0.000000 }, "alias": "H", @@ -438,7 +438,7 @@ "id": "7", "seqid": 8, "position": { - "x": 11.200000, + "x": 7.000000, "y": -0.000000 }, "alias": "I", @@ -449,7 +449,7 @@ "id": "8", "seqid": 9, "position": { - "x": 12.800000, + "x": 8.000000, "y": -0.000000 }, "alias": "K", @@ -460,7 +460,7 @@ "id": "9", "seqid": 10, "position": { - "x": 14.400001, + "x": 9.000000, "y": -0.000000 }, "alias": "L", @@ -471,7 +471,7 @@ "id": "10", "seqid": 11, "position": { - "x": 16.000000, + "x": 10.000000, "y": -0.000000 }, "alias": "M", @@ -482,7 +482,7 @@ "id": "11", "seqid": 12, "position": { - "x": 17.600000, + "x": 11.000000, "y": -0.000000 }, "alias": "N", @@ -494,7 +494,7 @@ "seqid": 1, "position": { "x": 0.000000, - "y": -1.600000 + "y": -1.000000 }, "alias": "O", "templateId": "O___Pyrrolysine" @@ -504,8 +504,8 @@ "id": "13", "seqid": 2, "position": { - "x": 1.600000, - "y": -1.600000 + "x": 1.000000, + "y": -1.000000 }, "alias": "P", "templateId": "P___Proline" @@ -515,8 +515,8 @@ "id": "14", "seqid": 3, "position": { - "x": 3.200000, - "y": -1.600000 + "x": 2.000000, + "y": -1.000000 }, "alias": "Q", "templateId": "Q___Glutamine" @@ -526,8 +526,8 @@ "id": "15", "seqid": 4, "position": { - "x": 4.800000, - "y": -1.600000 + "x": 3.000000, + "y": -1.000000 }, "alias": "R", "templateId": "R___Arginine" @@ -537,8 +537,8 @@ "id": "16", "seqid": 5, "position": { - "x": 6.400000, - "y": -1.600000 + "x": 4.000000, + "y": -1.000000 }, "alias": "S", "templateId": "S___Serine" @@ -548,8 +548,8 @@ "id": "17", "seqid": 6, "position": { - "x": 8.000000, - "y": -1.600000 + "x": 5.000000, + "y": -1.000000 }, "alias": "R", "templateId": "R___Arginine" @@ -559,8 +559,8 @@ "id": "18", "seqid": 7, "position": { - "x": 9.600000, - "y": -1.600000 + "x": 6.000000, + "y": -1.000000 }, "alias": "U", "templateId": "U___Selenocysteine" @@ -570,8 +570,8 @@ "id": "19", "seqid": 8, "position": { - "x": 11.200000, - "y": -1.600000 + "x": 7.000000, + "y": -1.000000 }, "alias": "V", "templateId": "V___Valine" @@ -581,8 +581,8 @@ "id": "20", "seqid": 9, "position": { - "x": 12.800000, - "y": -1.600000 + "x": 8.000000, + "y": -1.000000 }, "alias": "W", "templateId": "W___Tryptophan" @@ -592,8 +592,8 @@ "id": "21", "seqid": 10, "position": { - "x": 14.400001, - "y": -1.600000 + "x": 9.000000, + "y": -1.000000 }, "alias": "Y", "templateId": "Y___Tyrosine" diff --git a/api/tests/integration/tests/formats/ref/test_1881.ket b/api/tests/integration/tests/formats/ref/test_1881.ket index dc338a6571..e32d39a187 100644 --- a/api/tests/integration/tests/formats/ref/test_1881.ket +++ b/api/tests/integration/tests/formats/ref/test_1881.ket @@ -43,7 +43,7 @@ "seqid": 1, "position": { "x": 0.000000, - "y": -1.600000 + "y": -1.000000 }, "alias": "A", "templateId": "A___Alanine" @@ -54,7 +54,7 @@ "seqid": 1, "position": { "x": 0.000000, - "y": -3.200000 + "y": -2.000000 }, "alias": "D", "templateId": "D___Aspartic acid" @@ -65,7 +65,7 @@ "seqid": 1, "position": { "x": 0.000000, - "y": -4.800000 + "y": -3.000000 }, "alias": "C", "templateId": "C___Cysteine" diff --git a/api/tests/integration/tests/formats/ref/test_dna.ket b/api/tests/integration/tests/formats/ref/test_dna.ket index 797f58aecf..69317001c8 100644 --- a/api/tests/integration/tests/formats/ref/test_dna.ket +++ b/api/tests/integration/tests/formats/ref/test_dna.ket @@ -5351,7 +5351,7 @@ "seqid": 1, "position": { "x": 0.000000, - "y": -1.600000 + "y": -1.000000 }, "alias": "T", "templateId": "T___Thymine" @@ -5361,7 +5361,7 @@ "id": "2", "seqid": 2, "position": { - "x": 3.200000, + "x": 2.000000, "y": -0.000000 }, "alias": "dR", @@ -5372,8 +5372,8 @@ "id": "3", "seqid": 2, "position": { - "x": 3.200000, - "y": -1.600000 + "x": 2.000000, + "y": -1.000000 }, "alias": "C", "templateId": "C___Cytosine" @@ -5383,7 +5383,7 @@ "id": "4", "seqid": 1, "position": { - "x": 1.600000, + "x": 1.000000, "y": -0.000000 }, "alias": "P", @@ -5394,7 +5394,7 @@ "id": "5", "seqid": 3, "position": { - "x": 6.400000, + "x": 4.000000, "y": -0.000000 }, "alias": "dR", @@ -5405,8 +5405,8 @@ "id": "6", "seqid": 3, "position": { - "x": 6.400000, - "y": -1.600000 + "x": 4.000000, + "y": -1.000000 }, "alias": "C", "templateId": "C___Cytosine" @@ -5416,7 +5416,7 @@ "id": "7", "seqid": 2, "position": { - "x": 4.800000, + "x": 3.000000, "y": -0.000000 }, "alias": "P", @@ -5427,7 +5427,7 @@ "id": "8", "seqid": 4, "position": { - "x": 9.600000, + "x": 6.000000, "y": -0.000000 }, "alias": "dR", @@ -5438,8 +5438,8 @@ "id": "9", "seqid": 4, "position": { - "x": 9.600000, - "y": -1.600000 + "x": 6.000000, + "y": -1.000000 }, "alias": "A", "templateId": "A___Adenine" @@ -5449,7 +5449,7 @@ "id": "10", "seqid": 3, "position": { - "x": 8.000000, + "x": 5.000000, "y": -0.000000 }, "alias": "P", @@ -5460,7 +5460,7 @@ "id": "11", "seqid": 5, "position": { - "x": 12.800000, + "x": 8.000000, "y": -0.000000 }, "alias": "dR", @@ -5471,8 +5471,8 @@ "id": "12", "seqid": 5, "position": { - "x": 12.800000, - "y": -1.600000 + "x": 8.000000, + "y": -1.000000 }, "alias": "G", "templateId": "G___Guanine" @@ -5482,7 +5482,7 @@ "id": "13", "seqid": 4, "position": { - "x": 11.200000, + "x": 7.000000, "y": -0.000000 }, "alias": "P", @@ -5493,7 +5493,7 @@ "id": "14", "seqid": 6, "position": { - "x": 16.000000, + "x": 10.000000, "y": -0.000000 }, "alias": "dR", @@ -5504,8 +5504,8 @@ "id": "15", "seqid": 6, "position": { - "x": 16.000000, - "y": -1.600000 + "x": 10.000000, + "y": -1.000000 }, "alias": "C", "templateId": "C___Cytosine" @@ -5515,7 +5515,7 @@ "id": "16", "seqid": 5, "position": { - "x": 14.400000, + "x": 9.000000, "y": -0.000000 }, "alias": "P", @@ -5526,7 +5526,7 @@ "id": "17", "seqid": 7, "position": { - "x": 19.200001, + "x": 12.000000, "y": -0.000000 }, "alias": "dR", @@ -5537,8 +5537,8 @@ "id": "18", "seqid": 7, "position": { - "x": 19.200001, - "y": -1.600000 + "x": 12.000000, + "y": -1.000000 }, "alias": "C", "templateId": "C___Cytosine" @@ -5548,7 +5548,7 @@ "id": "19", "seqid": 6, "position": { - "x": 17.600000, + "x": 11.000000, "y": -0.000000 }, "alias": "P", @@ -5559,7 +5559,7 @@ "id": "20", "seqid": 8, "position": { - "x": 22.400000, + "x": 14.000000, "y": -0.000000 }, "alias": "dR", @@ -5570,8 +5570,8 @@ "id": "21", "seqid": 8, "position": { - "x": 22.400000, - "y": -1.600000 + "x": 14.000000, + "y": -1.000000 }, "alias": "A", "templateId": "A___Adenine" @@ -5581,7 +5581,7 @@ "id": "22", "seqid": 7, "position": { - "x": 20.799999, + "x": 13.000000, "y": -0.000000 }, "alias": "P", @@ -5592,7 +5592,7 @@ "id": "23", "seqid": 9, "position": { - "x": 25.600000, + "x": 16.000000, "y": -0.000000 }, "alias": "dR", @@ -5603,8 +5603,8 @@ "id": "24", "seqid": 9, "position": { - "x": 25.600000, - "y": -1.600000 + "x": 16.000000, + "y": -1.000000 }, "alias": "T", "templateId": "T___Thymine" @@ -5614,7 +5614,7 @@ "id": "25", "seqid": 8, "position": { - "x": 24.000000, + "x": 15.000000, "y": -0.000000 }, "alias": "P", @@ -5625,7 +5625,7 @@ "id": "26", "seqid": 10, "position": { - "x": 28.800001, + "x": 18.000000, "y": -0.000000 }, "alias": "dR", @@ -5636,8 +5636,8 @@ "id": "27", "seqid": 10, "position": { - "x": 28.800001, - "y": -1.600000 + "x": 18.000000, + "y": -1.000000 }, "alias": "T", "templateId": "T___Thymine" @@ -5647,7 +5647,7 @@ "id": "28", "seqid": 9, "position": { - "x": 27.200001, + "x": 17.000000, "y": -0.000000 }, "alias": "P", @@ -5658,7 +5658,7 @@ "id": "29", "seqid": 11, "position": { - "x": 32.000000, + "x": 20.000000, "y": -0.000000 }, "alias": "dR", @@ -5669,8 +5669,8 @@ "id": "30", "seqid": 11, "position": { - "x": 32.000000, - "y": -1.600000 + "x": 20.000000, + "y": -1.000000 }, "alias": "G", "templateId": "G___Guanine" @@ -5680,7 +5680,7 @@ "id": "31", "seqid": 10, "position": { - "x": 30.400000, + "x": 19.000000, "y": -0.000000 }, "alias": "P", @@ -5691,7 +5691,7 @@ "id": "32", "seqid": 12, "position": { - "x": 35.200001, + "x": 22.000000, "y": -0.000000 }, "alias": "dR", @@ -5702,8 +5702,8 @@ "id": "33", "seqid": 12, "position": { - "x": 35.200001, - "y": -1.600000 + "x": 22.000000, + "y": -1.000000 }, "alias": "T", "templateId": "T___Thymine" @@ -5713,7 +5713,7 @@ "id": "34", "seqid": 11, "position": { - "x": 33.600002, + "x": 21.000000, "y": -0.000000 }, "alias": "P", @@ -5724,7 +5724,7 @@ "id": "35", "seqid": 13, "position": { - "x": 38.400002, + "x": 24.000000, "y": -0.000000 }, "alias": "dR", @@ -5735,8 +5735,8 @@ "id": "36", "seqid": 13, "position": { - "x": 38.400002, - "y": -1.600000 + "x": 24.000000, + "y": -1.000000 }, "alias": "G", "templateId": "G___Guanine" @@ -5746,7 +5746,7 @@ "id": "37", "seqid": 12, "position": { - "x": 36.800003, + "x": 23.000000, "y": -0.000000 }, "alias": "P", @@ -5757,7 +5757,7 @@ "id": "38", "seqid": 14, "position": { - "x": 41.600002, + "x": 26.000000, "y": -0.000000 }, "alias": "dR", @@ -5768,8 +5768,8 @@ "id": "39", "seqid": 14, "position": { - "x": 41.600002, - "y": -1.600000 + "x": 26.000000, + "y": -1.000000 }, "alias": "A", "templateId": "A___Adenine" @@ -5779,7 +5779,7 @@ "id": "40", "seqid": 13, "position": { - "x": 40.000004, + "x": 25.000000, "y": -0.000000 }, "alias": "P", @@ -5790,7 +5790,7 @@ "id": "41", "seqid": 15, "position": { - "x": 44.799999, + "x": 28.000000, "y": -0.000000 }, "alias": "dR", @@ -5801,8 +5801,8 @@ "id": "42", "seqid": 15, "position": { - "x": 44.799999, - "y": -1.600000 + "x": 28.000000, + "y": -1.000000 }, "alias": "T", "templateId": "T___Thymine" @@ -5812,7 +5812,7 @@ "id": "43", "seqid": 14, "position": { - "x": 43.200001, + "x": 27.000000, "y": -0.000000 }, "alias": "P", @@ -5823,7 +5823,7 @@ "id": "44", "seqid": 16, "position": { - "x": 48.000000, + "x": 30.000000, "y": -0.000000 }, "alias": "dR", @@ -5834,8 +5834,8 @@ "id": "45", "seqid": 16, "position": { - "x": 48.000000, - "y": -1.600000 + "x": 30.000000, + "y": -1.000000 }, "alias": "T", "templateId": "T___Thymine" @@ -5845,7 +5845,7 @@ "id": "46", "seqid": 15, "position": { - "x": 46.400002, + "x": 29.000000, "y": -0.000000 }, "alias": "P", @@ -5856,7 +5856,7 @@ "id": "47", "seqid": 17, "position": { - "x": 51.200001, + "x": 32.000000, "y": -0.000000 }, "alias": "dR", @@ -5867,8 +5867,8 @@ "id": "48", "seqid": 17, "position": { - "x": 51.200001, - "y": -1.600000 + "x": 32.000000, + "y": -1.000000 }, "alias": "G", "templateId": "G___Guanine" @@ -5878,7 +5878,7 @@ "id": "49", "seqid": 16, "position": { - "x": 49.600002, + "x": 31.000000, "y": -0.000000 }, "alias": "P", @@ -5889,7 +5889,7 @@ "id": "50", "seqid": 18, "position": { - "x": 54.400002, + "x": 34.000000, "y": -0.000000 }, "alias": "dR", @@ -5900,8 +5900,8 @@ "id": "51", "seqid": 18, "position": { - "x": 54.400002, - "y": -1.600000 + "x": 34.000000, + "y": -1.000000 }, "alias": "C", "templateId": "C___Cytosine" @@ -5911,7 +5911,7 @@ "id": "52", "seqid": 17, "position": { - "x": 52.800003, + "x": 33.000000, "y": -0.000000 }, "alias": "P", @@ -5922,7 +5922,7 @@ "id": "53", "seqid": 19, "position": { - "x": 57.600002, + "x": 36.000000, "y": -0.000000 }, "alias": "dR", @@ -5933,8 +5933,8 @@ "id": "54", "seqid": 19, "position": { - "x": 57.600002, - "y": -1.600000 + "x": 36.000000, + "y": -1.000000 }, "alias": "A", "templateId": "A___Adenine" @@ -5944,7 +5944,7 @@ "id": "55", "seqid": 18, "position": { - "x": 56.000004, + "x": 35.000000, "y": -0.000000 }, "alias": "P", @@ -5955,7 +5955,7 @@ "id": "56", "seqid": 20, "position": { - "x": 60.799999, + "x": 38.000000, "y": -0.000000 }, "alias": "dR", @@ -5966,8 +5966,8 @@ "id": "57", "seqid": 20, "position": { - "x": 60.799999, - "y": -1.600000 + "x": 38.000000, + "y": -1.000000 }, "alias": "T", "templateId": "T___Thymine" @@ -5977,7 +5977,7 @@ "id": "58", "seqid": 19, "position": { - "x": 59.200001, + "x": 37.000000, "y": -0.000000 }, "alias": "P", @@ -5988,7 +5988,7 @@ "id": "59", "seqid": 21, "position": { - "x": 64.000000, + "x": 40.000000, "y": -0.000000 }, "alias": "dR", @@ -5999,8 +5999,8 @@ "id": "60", "seqid": 21, "position": { - "x": 64.000000, - "y": -1.600000 + "x": 40.000000, + "y": -1.000000 }, "alias": "G", "templateId": "G___Guanine" @@ -6010,7 +6010,7 @@ "id": "61", "seqid": 20, "position": { - "x": 62.400002, + "x": 39.000000, "y": -0.000000 }, "alias": "P", @@ -6021,7 +6021,7 @@ "id": "62", "seqid": 22, "position": { - "x": 67.200005, + "x": 42.000000, "y": -0.000000 }, "alias": "dR", @@ -6032,8 +6032,8 @@ "id": "63", "seqid": 22, "position": { - "x": 67.200005, - "y": -1.600000 + "x": 42.000000, + "y": -1.000000 }, "alias": "T", "templateId": "T___Thymine" @@ -6043,7 +6043,7 @@ "id": "64", "seqid": 21, "position": { - "x": 65.600006, + "x": 41.000000, "y": -0.000000 }, "alias": "P", @@ -6054,7 +6054,7 @@ "id": "65", "seqid": 23, "position": { - "x": 70.400002, + "x": 44.000000, "y": -0.000000 }, "alias": "dR", @@ -6065,8 +6065,8 @@ "id": "66", "seqid": 23, "position": { - "x": 70.400002, - "y": -1.600000 + "x": 44.000000, + "y": -1.000000 }, "alias": "T", "templateId": "T___Thymine" @@ -6076,7 +6076,7 @@ "id": "67", "seqid": 22, "position": { - "x": 68.800003, + "x": 43.000000, "y": -0.000000 }, "alias": "P", @@ -6087,7 +6087,7 @@ "id": "68", "seqid": 24, "position": { - "x": 73.599998, + "x": 46.000000, "y": -0.000000 }, "alias": "dR", @@ -6098,8 +6098,8 @@ "id": "69", "seqid": 24, "position": { - "x": 73.599998, - "y": -1.600000 + "x": 46.000000, + "y": -1.000000 }, "alias": "C", "templateId": "C___Cytosine" @@ -6109,7 +6109,7 @@ "id": "70", "seqid": 23, "position": { - "x": 72.000000, + "x": 45.000000, "y": -0.000000 }, "alias": "P", @@ -6120,7 +6120,7 @@ "id": "71", "seqid": 25, "position": { - "x": 76.800003, + "x": 48.000000, "y": -0.000000 }, "alias": "dR", @@ -6131,8 +6131,8 @@ "id": "72", "seqid": 25, "position": { - "x": 76.800003, - "y": -1.600000 + "x": 48.000000, + "y": -1.000000 }, "alias": "C", "templateId": "C___Cytosine" @@ -6142,7 +6142,7 @@ "id": "73", "seqid": 24, "position": { - "x": 75.200005, + "x": 47.000000, "y": -0.000000 }, "alias": "P", @@ -6153,7 +6153,7 @@ "id": "74", "seqid": 26, "position": { - "x": 80.000000, + "x": 50.000000, "y": -0.000000 }, "alias": "dR", @@ -6164,8 +6164,8 @@ "id": "75", "seqid": 26, "position": { - "x": 80.000000, - "y": -1.600000 + "x": 50.000000, + "y": -1.000000 }, "alias": "C", "templateId": "C___Cytosine" @@ -6175,7 +6175,7 @@ "id": "76", "seqid": 25, "position": { - "x": 78.400002, + "x": 49.000000, "y": -0.000000 }, "alias": "P", @@ -6186,7 +6186,7 @@ "id": "77", "seqid": 27, "position": { - "x": 83.200005, + "x": 52.000000, "y": -0.000000 }, "alias": "dR", @@ -6197,8 +6197,8 @@ "id": "78", "seqid": 27, "position": { - "x": 83.200005, - "y": -1.600000 + "x": 52.000000, + "y": -1.000000 }, "alias": "A", "templateId": "A___Adenine" @@ -6208,7 +6208,7 @@ "id": "79", "seqid": 26, "position": { - "x": 81.600006, + "x": 51.000000, "y": -0.000000 }, "alias": "P", @@ -6219,7 +6219,7 @@ "id": "80", "seqid": 28, "position": { - "x": 86.400002, + "x": 54.000000, "y": -0.000000 }, "alias": "dR", @@ -6230,8 +6230,8 @@ "id": "81", "seqid": 28, "position": { - "x": 86.400002, - "y": -1.600000 + "x": 54.000000, + "y": -1.000000 }, "alias": "G", "templateId": "G___Guanine" @@ -6241,7 +6241,7 @@ "id": "82", "seqid": 27, "position": { - "x": 84.800003, + "x": 53.000000, "y": -0.000000 }, "alias": "P", @@ -6252,7 +6252,7 @@ "id": "83", "seqid": 29, "position": { - "x": 89.599998, + "x": 56.000000, "y": -0.000000 }, "alias": "dR", @@ -6263,8 +6263,8 @@ "id": "84", "seqid": 29, "position": { - "x": 89.599998, - "y": -1.600000 + "x": 56.000000, + "y": -1.000000 }, "alias": "G", "templateId": "G___Guanine" @@ -6274,7 +6274,7 @@ "id": "85", "seqid": 28, "position": { - "x": 88.000000, + "x": 55.000000, "y": -0.000000 }, "alias": "P", @@ -6285,7 +6285,7 @@ "id": "86", "seqid": 30, "position": { - "x": 92.800003, + "x": 58.000000, "y": -0.000000 }, "alias": "dR", @@ -6296,8 +6296,8 @@ "id": "87", "seqid": 30, "position": { - "x": 92.800003, - "y": -1.600000 + "x": 58.000000, + "y": -1.000000 }, "alias": "T", "templateId": "T___Thymine" @@ -6307,7 +6307,7 @@ "id": "88", "seqid": 29, "position": { - "x": 91.200005, + "x": 57.000000, "y": -0.000000 }, "alias": "P", @@ -6318,7 +6318,7 @@ "id": "89", "seqid": 31, "position": { - "x": 96.000000, + "x": 60.000000, "y": -0.000000 }, "alias": "dR", @@ -6329,8 +6329,8 @@ "id": "90", "seqid": 31, "position": { - "x": 96.000000, - "y": -1.600000 + "x": 60.000000, + "y": -1.000000 }, "alias": "T", "templateId": "T___Thymine" @@ -6340,7 +6340,7 @@ "id": "91", "seqid": 30, "position": { - "x": 94.400002, + "x": 59.000000, "y": -0.000000 }, "alias": "P", @@ -6351,7 +6351,7 @@ "id": "92", "seqid": 32, "position": { - "x": 99.200005, + "x": 62.000000, "y": -0.000000 }, "alias": "dR", @@ -6362,8 +6362,8 @@ "id": "93", "seqid": 32, "position": { - "x": 99.200005, - "y": -1.600000 + "x": 62.000000, + "y": -1.000000 }, "alias": "G", "templateId": "G___Guanine" @@ -6373,7 +6373,7 @@ "id": "94", "seqid": 31, "position": { - "x": 97.600006, + "x": 61.000000, "y": -0.000000 }, "alias": "P", @@ -6384,7 +6384,7 @@ "id": "95", "seqid": 33, "position": { - "x": 102.400002, + "x": 64.000000, "y": -0.000000 }, "alias": "dR", @@ -6395,8 +6395,8 @@ "id": "96", "seqid": 33, "position": { - "x": 102.400002, - "y": -1.600000 + "x": 64.000000, + "y": -1.000000 }, "alias": "A", "templateId": "A___Adenine" @@ -6406,7 +6406,7 @@ "id": "97", "seqid": 32, "position": { - "x": 100.800003, + "x": 63.000000, "y": -0.000000 }, "alias": "P", @@ -6417,7 +6417,7 @@ "id": "98", "seqid": 34, "position": { - "x": 105.599998, + "x": 66.000000, "y": -0.000000 }, "alias": "dR", @@ -6428,8 +6428,8 @@ "id": "99", "seqid": 34, "position": { - "x": 105.599998, - "y": -1.600000 + "x": 66.000000, + "y": -1.000000 }, "alias": "G", "templateId": "G___Guanine" @@ -6439,7 +6439,7 @@ "id": "100", "seqid": 33, "position": { - "x": 104.000000, + "x": 65.000000, "y": -0.000000 }, "alias": "P", @@ -6450,7 +6450,7 @@ "id": "101", "seqid": 35, "position": { - "x": 108.800003, + "x": 68.000000, "y": -0.000000 }, "alias": "dR", @@ -6461,8 +6461,8 @@ "id": "102", "seqid": 35, "position": { - "x": 108.800003, - "y": -1.600000 + "x": 68.000000, + "y": -1.000000 }, "alias": "G", "templateId": "G___Guanine" @@ -6472,7 +6472,7 @@ "id": "103", "seqid": 34, "position": { - "x": 107.200005, + "x": 67.000000, "y": -0.000000 }, "alias": "P", @@ -6483,7 +6483,7 @@ "id": "104", "seqid": 36, "position": { - "x": 112.000000, + "x": 70.000000, "y": -0.000000 }, "alias": "dR", @@ -6494,8 +6494,8 @@ "id": "105", "seqid": 36, "position": { - "x": 112.000000, - "y": -1.600000 + "x": 70.000000, + "y": -1.000000 }, "alias": "T", "templateId": "T___Thymine" @@ -6505,7 +6505,7 @@ "id": "106", "seqid": 35, "position": { - "x": 110.400002, + "x": 69.000000, "y": -0.000000 }, "alias": "P", @@ -6516,7 +6516,7 @@ "id": "107", "seqid": 37, "position": { - "x": 115.200005, + "x": 72.000000, "y": -0.000000 }, "alias": "dR", @@ -6527,8 +6527,8 @@ "id": "108", "seqid": 37, "position": { - "x": 115.200005, - "y": -1.600000 + "x": 72.000000, + "y": -1.000000 }, "alias": "A", "templateId": "A___Adenine" @@ -6538,7 +6538,7 @@ "id": "109", "seqid": 36, "position": { - "x": 113.600006, + "x": 71.000000, "y": -0.000000 }, "alias": "P", @@ -6549,7 +6549,7 @@ "id": "110", "seqid": 38, "position": { - "x": 118.400002, + "x": 74.000000, "y": -0.000000 }, "alias": "dR", @@ -6560,8 +6560,8 @@ "id": "111", "seqid": 38, "position": { - "x": 118.400002, - "y": -1.600000 + "x": 74.000000, + "y": -1.000000 }, "alias": "G", "templateId": "G___Guanine" @@ -6571,7 +6571,7 @@ "id": "112", "seqid": 37, "position": { - "x": 116.800003, + "x": 73.000000, "y": -0.000000 }, "alias": "P", @@ -6582,7 +6582,7 @@ "id": "113", "seqid": 39, "position": { - "x": 121.599998, + "x": 76.000000, "y": -0.000000 }, "alias": "dR", @@ -6593,8 +6593,8 @@ "id": "114", "seqid": 39, "position": { - "x": 121.599998, - "y": -1.600000 + "x": 76.000000, + "y": -1.000000 }, "alias": "T", "templateId": "T___Thymine" @@ -6604,7 +6604,7 @@ "id": "115", "seqid": 38, "position": { - "x": 120.000000, + "x": 75.000000, "y": -0.000000 }, "alias": "P", @@ -6615,7 +6615,7 @@ "id": "116", "seqid": 40, "position": { - "x": 124.800003, + "x": 78.000000, "y": -0.000000 }, "alias": "dR", @@ -6626,8 +6626,8 @@ "id": "117", "seqid": 40, "position": { - "x": 124.800003, - "y": -1.600000 + "x": 78.000000, + "y": -1.000000 }, "alias": "A", "templateId": "A___Adenine" @@ -6637,7 +6637,7 @@ "id": "118", "seqid": 39, "position": { - "x": 123.200005, + "x": 77.000000, "y": -0.000000 }, "alias": "P", @@ -6648,7 +6648,7 @@ "id": "119", "seqid": 41, "position": { - "x": 128.000000, + "x": 80.000000, "y": -0.000000 }, "alias": "dR", @@ -6659,8 +6659,8 @@ "id": "120", "seqid": 41, "position": { - "x": 128.000000, - "y": -1.600000 + "x": 80.000000, + "y": -1.000000 }, "alias": "G", "templateId": "G___Guanine" @@ -6670,7 +6670,7 @@ "id": "121", "seqid": 40, "position": { - "x": 126.400002, + "x": 79.000000, "y": -0.000000 }, "alias": "P", @@ -6681,7 +6681,7 @@ "id": "122", "seqid": 42, "position": { - "x": 131.199997, + "x": 82.000000, "y": -0.000000 }, "alias": "dR", @@ -6692,8 +6692,8 @@ "id": "123", "seqid": 42, "position": { - "x": 131.199997, - "y": -1.600000 + "x": 82.000000, + "y": -1.000000 }, "alias": "G", "templateId": "G___Guanine" @@ -6703,7 +6703,7 @@ "id": "124", "seqid": 41, "position": { - "x": 129.599991, + "x": 81.000000, "y": -0.000000 }, "alias": "P", @@ -6714,7 +6714,7 @@ "id": "125", "seqid": 43, "position": { - "x": 134.400009, + "x": 84.000000, "y": -0.000000 }, "alias": "dR", @@ -6725,8 +6725,8 @@ "id": "126", "seqid": 43, "position": { - "x": 134.400009, - "y": -1.600000 + "x": 84.000000, + "y": -1.000000 }, "alias": "T", "templateId": "T___Thymine" @@ -6736,7 +6736,7 @@ "id": "127", "seqid": 42, "position": { - "x": 132.800003, + "x": 83.000000, "y": -0.000000 }, "alias": "P", @@ -6747,7 +6747,7 @@ "id": "128", "seqid": 44, "position": { - "x": 137.600006, + "x": 86.000000, "y": -0.000000 }, "alias": "dR", @@ -6758,8 +6758,8 @@ "id": "129", "seqid": 44, "position": { - "x": 137.600006, - "y": -1.600000 + "x": 86.000000, + "y": -1.000000 }, "alias": "T", "templateId": "T___Thymine" @@ -6769,7 +6769,7 @@ "id": "130", "seqid": 43, "position": { - "x": 136.000000, + "x": 85.000000, "y": -0.000000 }, "alias": "P", @@ -6780,7 +6780,7 @@ "id": "131", "seqid": 45, "position": { - "x": 140.800003, + "x": 88.000000, "y": -0.000000 }, "alias": "dR", @@ -6791,8 +6791,8 @@ "id": "132", "seqid": 45, "position": { - "x": 140.800003, - "y": -1.600000 + "x": 88.000000, + "y": -1.000000 }, "alias": "G", "templateId": "G___Guanine" @@ -6802,7 +6802,7 @@ "id": "133", "seqid": 44, "position": { - "x": 139.199997, + "x": 87.000000, "y": -0.000000 }, "alias": "P", @@ -6813,7 +6813,7 @@ "id": "134", "seqid": 46, "position": { - "x": 144.000000, + "x": 90.000000, "y": -0.000000 }, "alias": "dR", @@ -6824,8 +6824,8 @@ "id": "135", "seqid": 46, "position": { - "x": 144.000000, - "y": -1.600000 + "x": 90.000000, + "y": -1.000000 }, "alias": "T", "templateId": "T___Thymine" @@ -6835,7 +6835,7 @@ "id": "136", "seqid": 45, "position": { - "x": 142.399994, + "x": 89.000000, "y": -0.000000 }, "alias": "P", @@ -6846,7 +6846,7 @@ "id": "137", "seqid": 47, "position": { - "x": 147.199997, + "x": 92.000000, "y": -0.000000 }, "alias": "dR", @@ -6857,8 +6857,8 @@ "id": "138", "seqid": 47, "position": { - "x": 147.199997, - "y": -1.600000 + "x": 92.000000, + "y": -1.000000 }, "alias": "A", "templateId": "A___Adenine" @@ -6868,7 +6868,7 @@ "id": "139", "seqid": 46, "position": { - "x": 145.599991, + "x": 91.000000, "y": -0.000000 }, "alias": "P", @@ -6879,7 +6879,7 @@ "id": "140", "seqid": 48, "position": { - "x": 150.400009, + "x": 94.000000, "y": -0.000000 }, "alias": "dR", @@ -6890,8 +6890,8 @@ "id": "141", "seqid": 48, "position": { - "x": 150.400009, - "y": -1.600000 + "x": 94.000000, + "y": -1.000000 }, "alias": "T", "templateId": "T___Thymine" @@ -6901,7 +6901,7 @@ "id": "142", "seqid": 47, "position": { - "x": 148.800003, + "x": 93.000000, "y": -0.000000 }, "alias": "P", @@ -6912,7 +6912,7 @@ "id": "143", "seqid": 49, "position": { - "x": 153.600006, + "x": 96.000000, "y": -0.000000 }, "alias": "dR", @@ -6923,8 +6923,8 @@ "id": "144", "seqid": 49, "position": { - "x": 153.600006, - "y": -1.600000 + "x": 96.000000, + "y": -1.000000 }, "alias": "A", "templateId": "A___Adenine" @@ -6934,7 +6934,7 @@ "id": "145", "seqid": 48, "position": { - "x": 152.000000, + "x": 95.000000, "y": -0.000000 }, "alias": "P", @@ -6945,7 +6945,7 @@ "id": "146", "seqid": 50, "position": { - "x": 156.800003, + "x": 98.000000, "y": -0.000000 }, "alias": "dR", @@ -6956,8 +6956,8 @@ "id": "147", "seqid": 50, "position": { - "x": 156.800003, - "y": -1.600000 + "x": 98.000000, + "y": -1.000000 }, "alias": "G", "templateId": "G___Guanine" @@ -6967,7 +6967,7 @@ "id": "148", "seqid": 49, "position": { - "x": 155.199997, + "x": 97.000000, "y": -0.000000 }, "alias": "P", @@ -6978,7 +6978,7 @@ "id": "149", "seqid": 51, "position": { - "x": 160.000000, + "x": 100.000000, "y": -0.000000 }, "alias": "dR", @@ -6989,8 +6989,8 @@ "id": "150", "seqid": 51, "position": { - "x": 160.000000, - "y": -1.600000 + "x": 100.000000, + "y": -1.000000 }, "alias": "T", "templateId": "T___Thymine" @@ -7000,7 +7000,7 @@ "id": "151", "seqid": 50, "position": { - "x": 158.399994, + "x": 99.000000, "y": -0.000000 }, "alias": "P", @@ -7011,7 +7011,7 @@ "id": "152", "seqid": 52, "position": { - "x": 163.199997, + "x": 102.000000, "y": -0.000000 }, "alias": "dR", @@ -7022,8 +7022,8 @@ "id": "153", "seqid": 52, "position": { - "x": 163.199997, - "y": -1.600000 + "x": 102.000000, + "y": -1.000000 }, "alias": "T", "templateId": "T___Thymine" @@ -7033,7 +7033,7 @@ "id": "154", "seqid": 51, "position": { - "x": 161.599991, + "x": 101.000000, "y": -0.000000 }, "alias": "P", @@ -7044,7 +7044,7 @@ "id": "155", "seqid": 53, "position": { - "x": 166.400009, + "x": 104.000000, "y": -0.000000 }, "alias": "dR", @@ -7055,8 +7055,8 @@ "id": "156", "seqid": 53, "position": { - "x": 166.400009, - "y": -1.600000 + "x": 104.000000, + "y": -1.000000 }, "alias": "T", "templateId": "T___Thymine" @@ -7066,7 +7066,7 @@ "id": "157", "seqid": 52, "position": { - "x": 164.800003, + "x": 103.000000, "y": -0.000000 }, "alias": "P", @@ -7077,7 +7077,7 @@ "id": "158", "seqid": 54, "position": { - "x": 169.600006, + "x": 106.000000, "y": -0.000000 }, "alias": "dR", @@ -7088,8 +7088,8 @@ "id": "159", "seqid": 54, "position": { - "x": 169.600006, - "y": -1.600000 + "x": 106.000000, + "y": -1.000000 }, "alias": "A", "templateId": "A___Adenine" @@ -7099,7 +7099,7 @@ "id": "160", "seqid": 53, "position": { - "x": 168.000000, + "x": 105.000000, "y": -0.000000 }, "alias": "P", @@ -7110,7 +7110,7 @@ "id": "161", "seqid": 55, "position": { - "x": 172.800003, + "x": 108.000000, "y": -0.000000 }, "alias": "dR", @@ -7121,8 +7121,8 @@ "id": "162", "seqid": 55, "position": { - "x": 172.800003, - "y": -1.600000 + "x": 108.000000, + "y": -1.000000 }, "alias": "G", "templateId": "G___Guanine" @@ -7132,7 +7132,7 @@ "id": "163", "seqid": 54, "position": { - "x": 171.199997, + "x": 107.000000, "y": -0.000000 }, "alias": "P", @@ -7143,7 +7143,7 @@ "id": "164", "seqid": 56, "position": { - "x": 176.000000, + "x": 110.000000, "y": -0.000000 }, "alias": "dR", @@ -7154,8 +7154,8 @@ "id": "165", "seqid": 56, "position": { - "x": 176.000000, - "y": -1.600000 + "x": 110.000000, + "y": -1.000000 }, "alias": "A", "templateId": "A___Adenine" @@ -7165,7 +7165,7 @@ "id": "166", "seqid": 55, "position": { - "x": 174.399994, + "x": 109.000000, "y": -0.000000 }, "alias": "P", @@ -7176,7 +7176,7 @@ "id": "167", "seqid": 57, "position": { - "x": 179.199997, + "x": 112.000000, "y": -0.000000 }, "alias": "dR", @@ -7187,8 +7187,8 @@ "id": "168", "seqid": 57, "position": { - "x": 179.199997, - "y": -1.600000 + "x": 112.000000, + "y": -1.000000 }, "alias": "A", "templateId": "A___Adenine" @@ -7198,7 +7198,7 @@ "id": "169", "seqid": 56, "position": { - "x": 177.599991, + "x": 111.000000, "y": -0.000000 }, "alias": "P", @@ -7209,7 +7209,7 @@ "id": "170", "seqid": 58, "position": { - "x": 182.400009, + "x": 114.000000, "y": -0.000000 }, "alias": "dR", @@ -7220,8 +7220,8 @@ "id": "171", "seqid": 58, "position": { - "x": 182.400009, - "y": -1.600000 + "x": 114.000000, + "y": -1.000000 }, "alias": "T", "templateId": "T___Thymine" @@ -7231,7 +7231,7 @@ "id": "172", "seqid": 57, "position": { - "x": 180.800003, + "x": 113.000000, "y": -0.000000 }, "alias": "P", @@ -7242,7 +7242,7 @@ "id": "173", "seqid": 59, "position": { - "x": 185.600006, + "x": 116.000000, "y": -0.000000 }, "alias": "dR", @@ -7253,8 +7253,8 @@ "id": "174", "seqid": 59, "position": { - "x": 185.600006, - "y": -1.600000 + "x": 116.000000, + "y": -1.000000 }, "alias": "T", "templateId": "T___Thymine" @@ -7264,7 +7264,7 @@ "id": "175", "seqid": 58, "position": { - "x": 184.000000, + "x": 115.000000, "y": -0.000000 }, "alias": "P", @@ -7275,7 +7275,7 @@ "id": "176", "seqid": 60, "position": { - "x": 188.800003, + "x": 118.000000, "y": -0.000000 }, "alias": "dR", @@ -7286,8 +7286,8 @@ "id": "177", "seqid": 60, "position": { - "x": 188.800003, - "y": -1.600000 + "x": 118.000000, + "y": -1.000000 }, "alias": "A", "templateId": "A___Adenine" @@ -7297,7 +7297,7 @@ "id": "178", "seqid": 59, "position": { - "x": 187.199997, + "x": 117.000000, "y": -0.000000 }, "alias": "P", @@ -7308,7 +7308,7 @@ "id": "179", "seqid": 61, "position": { - "x": 192.000000, + "x": 120.000000, "y": -0.000000 }, "alias": "dR", @@ -7319,8 +7319,8 @@ "id": "180", "seqid": 61, "position": { - "x": 192.000000, - "y": -1.600000 + "x": 120.000000, + "y": -1.000000 }, "alias": "C", "templateId": "C___Cytosine" @@ -7330,7 +7330,7 @@ "id": "181", "seqid": 60, "position": { - "x": 190.399994, + "x": 119.000000, "y": -0.000000 }, "alias": "P", @@ -7341,7 +7341,7 @@ "id": "182", "seqid": 62, "position": { - "x": 195.199997, + "x": 122.000000, "y": -0.000000 }, "alias": "dR", @@ -7352,8 +7352,8 @@ "id": "183", "seqid": 62, "position": { - "x": 195.199997, - "y": -1.600000 + "x": 122.000000, + "y": -1.000000 }, "alias": "A", "templateId": "A___Adenine" @@ -7363,7 +7363,7 @@ "id": "184", "seqid": 61, "position": { - "x": 193.599991, + "x": 121.000000, "y": -0.000000 }, "alias": "P", @@ -7374,7 +7374,7 @@ "id": "185", "seqid": 63, "position": { - "x": 198.400009, + "x": 124.000000, "y": -0.000000 }, "alias": "dR", @@ -7385,8 +7385,8 @@ "id": "186", "seqid": 63, "position": { - "x": 198.400009, - "y": -1.600000 + "x": 124.000000, + "y": -1.000000 }, "alias": "T", "templateId": "T___Thymine" @@ -7396,7 +7396,7 @@ "id": "187", "seqid": 62, "position": { - "x": 196.800003, + "x": 123.000000, "y": -0.000000 }, "alias": "P", @@ -7407,7 +7407,7 @@ "id": "188", "seqid": 64, "position": { - "x": 201.600006, + "x": 126.000000, "y": -0.000000 }, "alias": "dR", @@ -7418,8 +7418,8 @@ "id": "189", "seqid": 64, "position": { - "x": 201.600006, - "y": -1.600000 + "x": 126.000000, + "y": -1.000000 }, "alias": "C", "templateId": "C___Cytosine" @@ -7429,7 +7429,7 @@ "id": "190", "seqid": 63, "position": { - "x": 200.000000, + "x": 125.000000, "y": -0.000000 }, "alias": "P", @@ -7440,7 +7440,7 @@ "id": "191", "seqid": 65, "position": { - "x": 204.800003, + "x": 128.000000, "y": -0.000000 }, "alias": "dR", @@ -7451,8 +7451,8 @@ "id": "192", "seqid": 65, "position": { - "x": 204.800003, - "y": -1.600000 + "x": 128.000000, + "y": -1.000000 }, "alias": "A", "templateId": "A___Adenine" @@ -7462,7 +7462,7 @@ "id": "193", "seqid": 64, "position": { - "x": 203.199997, + "x": 127.000000, "y": -0.000000 }, "alias": "P", @@ -7473,7 +7473,7 @@ "id": "194", "seqid": 66, "position": { - "x": 208.000000, + "x": 130.000000, "y": -0.000000 }, "alias": "dR", @@ -7484,8 +7484,8 @@ "id": "195", "seqid": 66, "position": { - "x": 208.000000, - "y": -1.600000 + "x": 130.000000, + "y": -1.000000 }, "alias": "A", "templateId": "A___Adenine" @@ -7495,7 +7495,7 @@ "id": "196", "seqid": 65, "position": { - "x": 206.399994, + "x": 129.000000, "y": -0.000000 }, "alias": "P", @@ -7506,7 +7506,7 @@ "id": "197", "seqid": 67, "position": { - "x": 211.199997, + "x": 132.000000, "y": -0.000000 }, "alias": "dR", @@ -7517,8 +7517,8 @@ "id": "198", "seqid": 67, "position": { - "x": 211.199997, - "y": -1.600000 + "x": 132.000000, + "y": -1.000000 }, "alias": "G", "templateId": "G___Guanine" @@ -7528,7 +7528,7 @@ "id": "199", "seqid": 66, "position": { - "x": 209.599991, + "x": 131.000000, "y": -0.000000 }, "alias": "P", @@ -7539,7 +7539,7 @@ "id": "200", "seqid": 68, "position": { - "x": 214.400009, + "x": 134.000000, "y": -0.000000 }, "alias": "dR", @@ -7550,8 +7550,8 @@ "id": "201", "seqid": 68, "position": { - "x": 214.400009, - "y": -1.600000 + "x": 134.000000, + "y": -1.000000 }, "alias": "G", "templateId": "G___Guanine" @@ -7561,7 +7561,7 @@ "id": "202", "seqid": 67, "position": { - "x": 212.800003, + "x": 133.000000, "y": -0.000000 }, "alias": "P", @@ -7572,7 +7572,7 @@ "id": "203", "seqid": 69, "position": { - "x": 217.600006, + "x": 136.000000, "y": -0.000000 }, "alias": "dR", @@ -7583,8 +7583,8 @@ "id": "204", "seqid": 69, "position": { - "x": 217.600006, - "y": -1.600000 + "x": 136.000000, + "y": -1.000000 }, "alias": "G", "templateId": "G___Guanine" @@ -7594,7 +7594,7 @@ "id": "205", "seqid": 68, "position": { - "x": 216.000000, + "x": 135.000000, "y": -0.000000 }, "alias": "P", @@ -7605,7 +7605,7 @@ "id": "206", "seqid": 70, "position": { - "x": 220.800003, + "x": 138.000000, "y": -0.000000 }, "alias": "dR", @@ -7616,8 +7616,8 @@ "id": "207", "seqid": 70, "position": { - "x": 220.800003, - "y": -1.600000 + "x": 138.000000, + "y": -1.000000 }, "alias": "A", "templateId": "A___Adenine" @@ -7627,7 +7627,7 @@ "id": "208", "seqid": 69, "position": { - "x": 219.199997, + "x": 137.000000, "y": -0.000000 }, "alias": "P", @@ -7638,7 +7638,7 @@ "id": "209", "seqid": 71, "position": { - "x": 224.000000, + "x": 140.000000, "y": -0.000000 }, "alias": "dR", @@ -7649,8 +7649,8 @@ "id": "210", "seqid": 71, "position": { - "x": 224.000000, - "y": -1.600000 + "x": 140.000000, + "y": -1.000000 }, "alias": "G", "templateId": "G___Guanine" @@ -7660,7 +7660,7 @@ "id": "211", "seqid": 70, "position": { - "x": 222.399994, + "x": 139.000000, "y": -0.000000 }, "alias": "P", @@ -7671,7 +7671,7 @@ "id": "212", "seqid": 72, "position": { - "x": 227.199997, + "x": 142.000000, "y": -0.000000 }, "alias": "dR", @@ -7682,8 +7682,8 @@ "id": "213", "seqid": 72, "position": { - "x": 227.199997, - "y": -1.600000 + "x": 142.000000, + "y": -1.000000 }, "alias": "A", "templateId": "A___Adenine" @@ -7693,7 +7693,7 @@ "id": "214", "seqid": 71, "position": { - "x": 225.599991, + "x": 141.000000, "y": -0.000000 }, "alias": "P", @@ -7704,7 +7704,7 @@ "id": "215", "seqid": 73, "position": { - "x": 230.400009, + "x": 144.000000, "y": -0.000000 }, "alias": "dR", @@ -7715,8 +7715,8 @@ "id": "216", "seqid": 73, "position": { - "x": 230.400009, - "y": -1.600000 + "x": 144.000000, + "y": -1.000000 }, "alias": "T", "templateId": "T___Thymine" @@ -7726,7 +7726,7 @@ "id": "217", "seqid": 72, "position": { - "x": 228.800003, + "x": 143.000000, "y": -0.000000 }, "alias": "P", @@ -7737,7 +7737,7 @@ "id": "218", "seqid": 74, "position": { - "x": 233.600006, + "x": 146.000000, "y": -0.000000 }, "alias": "dR", @@ -7748,8 +7748,8 @@ "id": "219", "seqid": 74, "position": { - "x": 233.600006, - "y": -1.600000 + "x": 146.000000, + "y": -1.000000 }, "alias": "A", "templateId": "A___Adenine" @@ -7759,7 +7759,7 @@ "id": "220", "seqid": 73, "position": { - "x": 232.000000, + "x": 145.000000, "y": -0.000000 }, "alias": "P", @@ -7770,7 +7770,7 @@ "id": "221", "seqid": 75, "position": { - "x": 236.800003, + "x": 148.000000, "y": -0.000000 }, "alias": "dR", @@ -7781,8 +7781,8 @@ "id": "222", "seqid": 75, "position": { - "x": 236.800003, - "y": -1.600000 + "x": 148.000000, + "y": -1.000000 }, "alias": "A", "templateId": "A___Adenine" @@ -7792,7 +7792,7 @@ "id": "223", "seqid": 74, "position": { - "x": 235.199997, + "x": 147.000000, "y": -0.000000 }, "alias": "P", @@ -7803,7 +7803,7 @@ "id": "224", "seqid": 76, "position": { - "x": 240.000000, + "x": 150.000000, "y": -0.000000 }, "alias": "dR", @@ -7814,8 +7814,8 @@ "id": "225", "seqid": 76, "position": { - "x": 240.000000, - "y": -1.600000 + "x": 150.000000, + "y": -1.000000 }, "alias": "C", "templateId": "C___Cytosine" @@ -7825,7 +7825,7 @@ "id": "226", "seqid": 75, "position": { - "x": 238.399994, + "x": 149.000000, "y": -0.000000 }, "alias": "P", @@ -7836,7 +7836,7 @@ "id": "227", "seqid": 77, "position": { - "x": 243.199997, + "x": 152.000000, "y": -0.000000 }, "alias": "dR", @@ -7847,8 +7847,8 @@ "id": "228", "seqid": 77, "position": { - "x": 243.199997, - "y": -1.600000 + "x": 152.000000, + "y": -1.000000 }, "alias": "T", "templateId": "T___Thymine" @@ -7858,7 +7858,7 @@ "id": "229", "seqid": 76, "position": { - "x": 241.599991, + "x": 151.000000, "y": -0.000000 }, "alias": "P", @@ -7869,7 +7869,7 @@ "id": "230", "seqid": 78, "position": { - "x": 246.400009, + "x": 154.000000, "y": -0.000000 }, "alias": "dR", @@ -7880,8 +7880,8 @@ "id": "231", "seqid": 78, "position": { - "x": 246.400009, - "y": -1.600000 + "x": 154.000000, + "y": -1.000000 }, "alias": "G", "templateId": "G___Guanine" @@ -7891,7 +7891,7 @@ "id": "232", "seqid": 77, "position": { - "x": 244.800003, + "x": 153.000000, "y": -0.000000 }, "alias": "P", @@ -7902,7 +7902,7 @@ "id": "233", "seqid": 79, "position": { - "x": 249.600006, + "x": 156.000000, "y": -0.000000 }, "alias": "dR", @@ -7913,8 +7913,8 @@ "id": "234", "seqid": 79, "position": { - "x": 249.600006, - "y": -1.600000 + "x": 156.000000, + "y": -1.000000 }, "alias": "T", "templateId": "T___Thymine" @@ -7924,7 +7924,7 @@ "id": "235", "seqid": 78, "position": { - "x": 248.000000, + "x": 155.000000, "y": -0.000000 }, "alias": "P", @@ -7935,7 +7935,7 @@ "id": "236", "seqid": 80, "position": { - "x": 252.800003, + "x": 158.000000, "y": -0.000000 }, "alias": "dR", @@ -7946,8 +7946,8 @@ "id": "237", "seqid": 80, "position": { - "x": 252.800003, - "y": -1.600000 + "x": 158.000000, + "y": -1.000000 }, "alias": "A", "templateId": "A___Adenine" @@ -7957,7 +7957,7 @@ "id": "238", "seqid": 79, "position": { - "x": 251.199997, + "x": 157.000000, "y": -0.000000 }, "alias": "P", @@ -7968,7 +7968,7 @@ "id": "239", "seqid": 81, "position": { - "x": 256.000000, + "x": 160.000000, "y": -0.000000 }, "alias": "dR", @@ -7979,8 +7979,8 @@ "id": "240", "seqid": 81, "position": { - "x": 256.000000, - "y": -1.600000 + "x": 160.000000, + "y": -1.000000 }, "alias": "C", "templateId": "C___Cytosine" @@ -7990,7 +7990,7 @@ "id": "241", "seqid": 80, "position": { - "x": 254.399994, + "x": 159.000000, "y": -0.000000 }, "alias": "P", @@ -8001,7 +8001,7 @@ "id": "242", "seqid": 82, "position": { - "x": 259.200012, + "x": 162.000000, "y": -0.000000 }, "alias": "dR", @@ -8012,8 +8012,8 @@ "id": "243", "seqid": 82, "position": { - "x": 259.200012, - "y": -1.600000 + "x": 162.000000, + "y": -1.000000 }, "alias": "A", "templateId": "A___Adenine" @@ -8023,7 +8023,7 @@ "id": "244", "seqid": 81, "position": { - "x": 257.600006, + "x": 161.000000, "y": -0.000000 }, "alias": "P", @@ -8034,7 +8034,7 @@ "id": "245", "seqid": 83, "position": { - "x": 262.399994, + "x": 164.000000, "y": -0.000000 }, "alias": "dR", @@ -8045,8 +8045,8 @@ "id": "246", "seqid": 83, "position": { - "x": 262.399994, - "y": -1.600000 + "x": 164.000000, + "y": -1.000000 }, "alias": "G", "templateId": "G___Guanine" @@ -8056,7 +8056,7 @@ "id": "247", "seqid": 82, "position": { - "x": 260.799988, + "x": 163.000000, "y": -0.000000 }, "alias": "P", @@ -8067,7 +8067,7 @@ "id": "248", "seqid": 84, "position": { - "x": 265.600006, + "x": 166.000000, "y": -0.000000 }, "alias": "dR", @@ -8078,8 +8078,8 @@ "id": "249", "seqid": 84, "position": { - "x": 265.600006, - "y": -1.600000 + "x": 166.000000, + "y": -1.000000 }, "alias": "C", "templateId": "C___Cytosine" @@ -8089,7 +8089,7 @@ "id": "250", "seqid": 83, "position": { - "x": 264.000000, + "x": 165.000000, "y": -0.000000 }, "alias": "P", @@ -8100,7 +8100,7 @@ "id": "251", "seqid": 85, "position": { - "x": 268.800018, + "x": 168.000000, "y": -0.000000 }, "alias": "dR", @@ -8111,8 +8111,8 @@ "id": "252", "seqid": 85, "position": { - "x": 268.800018, - "y": -1.600000 + "x": 168.000000, + "y": -1.000000 }, "alias": "C", "templateId": "C___Cytosine" @@ -8122,7 +8122,7 @@ "id": "253", "seqid": 84, "position": { - "x": 267.200012, + "x": 167.000000, "y": -0.000000 }, "alias": "P", @@ -8133,7 +8133,7 @@ "id": "254", "seqid": 86, "position": { - "x": 272.000000, + "x": 170.000000, "y": -0.000000 }, "alias": "dR", @@ -8144,8 +8144,8 @@ "id": "255", "seqid": 86, "position": { - "x": 272.000000, - "y": -1.600000 + "x": 170.000000, + "y": -1.000000 }, "alias": "T", "templateId": "T___Thymine" @@ -8155,7 +8155,7 @@ "id": "256", "seqid": 85, "position": { - "x": 270.399994, + "x": 169.000000, "y": -0.000000 }, "alias": "P", @@ -8166,7 +8166,7 @@ "id": "257", "seqid": 87, "position": { - "x": 275.200012, + "x": 172.000000, "y": -0.000000 }, "alias": "dR", @@ -8177,8 +8177,8 @@ "id": "258", "seqid": 87, "position": { - "x": 275.200012, - "y": -1.600000 + "x": 172.000000, + "y": -1.000000 }, "alias": "C", "templateId": "C___Cytosine" @@ -8188,7 +8188,7 @@ "id": "259", "seqid": 86, "position": { - "x": 273.600006, + "x": 171.000000, "y": -0.000000 }, "alias": "P", @@ -8199,7 +8199,7 @@ "id": "260", "seqid": 88, "position": { - "x": 278.399994, + "x": 174.000000, "y": -0.000000 }, "alias": "dR", @@ -8210,8 +8210,8 @@ "id": "261", "seqid": 88, "position": { - "x": 278.399994, - "y": -1.600000 + "x": 174.000000, + "y": -1.000000 }, "alias": "C", "templateId": "C___Cytosine" @@ -8221,7 +8221,7 @@ "id": "262", "seqid": 87, "position": { - "x": 276.799988, + "x": 173.000000, "y": -0.000000 }, "alias": "P", @@ -8232,7 +8232,7 @@ "id": "263", "seqid": 89, "position": { - "x": 281.600006, + "x": 176.000000, "y": -0.000000 }, "alias": "dR", @@ -8243,8 +8243,8 @@ "id": "264", "seqid": 89, "position": { - "x": 281.600006, - "y": -1.600000 + "x": 176.000000, + "y": -1.000000 }, "alias": "T", "templateId": "T___Thymine" @@ -8254,7 +8254,7 @@ "id": "265", "seqid": 88, "position": { - "x": 280.000000, + "x": 175.000000, "y": -0.000000 }, "alias": "P", @@ -8265,7 +8265,7 @@ "id": "266", "seqid": 90, "position": { - "x": 284.800018, + "x": 178.000000, "y": -0.000000 }, "alias": "dR", @@ -8276,8 +8276,8 @@ "id": "267", "seqid": 90, "position": { - "x": 284.800018, - "y": -1.600000 + "x": 178.000000, + "y": -1.000000 }, "alias": "A", "templateId": "A___Adenine" @@ -8287,7 +8287,7 @@ "id": "268", "seqid": 89, "position": { - "x": 283.200012, + "x": 177.000000, "y": -0.000000 }, "alias": "P", @@ -8298,7 +8298,7 @@ "id": "269", "seqid": 91, "position": { - "x": 288.000000, + "x": 180.000000, "y": -0.000000 }, "alias": "dR", @@ -8309,8 +8309,8 @@ "id": "270", "seqid": 91, "position": { - "x": 288.000000, - "y": -1.600000 + "x": 180.000000, + "y": -1.000000 }, "alias": "G", "templateId": "G___Guanine" @@ -8320,7 +8320,7 @@ "id": "271", "seqid": 90, "position": { - "x": 286.399994, + "x": 179.000000, "y": -0.000000 }, "alias": "P", @@ -8331,7 +8331,7 @@ "id": "272", "seqid": 92, "position": { - "x": 291.200012, + "x": 182.000000, "y": -0.000000 }, "alias": "dR", @@ -8342,8 +8342,8 @@ "id": "273", "seqid": 92, "position": { - "x": 291.200012, - "y": -1.600000 + "x": 182.000000, + "y": -1.000000 }, "alias": "C", "templateId": "C___Cytosine" @@ -8353,7 +8353,7 @@ "id": "274", "seqid": 91, "position": { - "x": 289.600006, + "x": 181.000000, "y": -0.000000 }, "alias": "P", @@ -8364,7 +8364,7 @@ "id": "275", "seqid": 93, "position": { - "x": 294.399994, + "x": 184.000000, "y": -0.000000 }, "alias": "dR", @@ -8375,8 +8375,8 @@ "id": "276", "seqid": 93, "position": { - "x": 294.399994, - "y": -1.600000 + "x": 184.000000, + "y": -1.000000 }, "alias": "T", "templateId": "T___Thymine" @@ -8386,7 +8386,7 @@ "id": "277", "seqid": 92, "position": { - "x": 292.799988, + "x": 183.000000, "y": -0.000000 }, "alias": "P", @@ -8397,7 +8397,7 @@ "id": "278", "seqid": 94, "position": { - "x": 297.600006, + "x": 186.000000, "y": -0.000000 }, "alias": "dR", @@ -8408,8 +8408,8 @@ "id": "279", "seqid": 94, "position": { - "x": 297.600006, - "y": -1.600000 + "x": 186.000000, + "y": -1.000000 }, "alias": "T", "templateId": "T___Thymine" @@ -8419,7 +8419,7 @@ "id": "280", "seqid": 93, "position": { - "x": 296.000000, + "x": 185.000000, "y": -0.000000 }, "alias": "P", @@ -8430,7 +8430,7 @@ "id": "281", "seqid": 95, "position": { - "x": 300.800018, + "x": 188.000000, "y": -0.000000 }, "alias": "dR", @@ -8441,8 +8441,8 @@ "id": "282", "seqid": 95, "position": { - "x": 300.800018, - "y": -1.600000 + "x": 188.000000, + "y": -1.000000 }, "alias": "T", "templateId": "T___Thymine" @@ -8452,7 +8452,7 @@ "id": "283", "seqid": 94, "position": { - "x": 299.200012, + "x": 187.000000, "y": -0.000000 }, "alias": "P", @@ -8463,7 +8463,7 @@ "id": "284", "seqid": 96, "position": { - "x": 304.000000, + "x": 190.000000, "y": -0.000000 }, "alias": "dR", @@ -8474,8 +8474,8 @@ "id": "285", "seqid": 96, "position": { - "x": 304.000000, - "y": -1.600000 + "x": 190.000000, + "y": -1.000000 }, "alias": "C", "templateId": "C___Cytosine" @@ -8485,7 +8485,7 @@ "id": "286", "seqid": 95, "position": { - "x": 302.399994, + "x": 189.000000, "y": -0.000000 }, "alias": "P", @@ -8496,7 +8496,7 @@ "id": "287", "seqid": 97, "position": { - "x": 307.200012, + "x": 192.000000, "y": -0.000000 }, "alias": "dR", @@ -8507,8 +8507,8 @@ "id": "288", "seqid": 97, "position": { - "x": 307.200012, - "y": -1.600000 + "x": 192.000000, + "y": -1.000000 }, "alias": "C", "templateId": "C___Cytosine" @@ -8518,7 +8518,7 @@ "id": "289", "seqid": 96, "position": { - "x": 305.600006, + "x": 191.000000, "y": -0.000000 }, "alias": "P", @@ -8529,7 +8529,7 @@ "id": "290", "seqid": 98, "position": { - "x": 310.399994, + "x": 194.000000, "y": -0.000000 }, "alias": "dR", @@ -8540,8 +8540,8 @@ "id": "291", "seqid": 98, "position": { - "x": 310.399994, - "y": -1.600000 + "x": 194.000000, + "y": -1.000000 }, "alias": "T", "templateId": "T___Thymine" @@ -8551,7 +8551,7 @@ "id": "292", "seqid": 97, "position": { - "x": 308.799988, + "x": 193.000000, "y": -0.000000 }, "alias": "P", @@ -8562,7 +8562,7 @@ "id": "293", "seqid": 99, "position": { - "x": 313.600006, + "x": 196.000000, "y": -0.000000 }, "alias": "dR", @@ -8573,8 +8573,8 @@ "id": "294", "seqid": 99, "position": { - "x": 313.600006, - "y": -1.600000 + "x": 196.000000, + "y": -1.000000 }, "alias": "T", "templateId": "T___Thymine" @@ -8584,7 +8584,7 @@ "id": "295", "seqid": 98, "position": { - "x": 312.000000, + "x": 195.000000, "y": -0.000000 }, "alias": "P", @@ -8595,7 +8595,7 @@ "id": "296", "seqid": 100, "position": { - "x": 316.800018, + "x": 198.000000, "y": -0.000000 }, "alias": "dR", @@ -8606,8 +8606,8 @@ "id": "297", "seqid": 100, "position": { - "x": 316.800018, - "y": -1.600000 + "x": 198.000000, + "y": -1.000000 }, "alias": "G", "templateId": "G___Guanine" @@ -8617,7 +8617,7 @@ "id": "298", "seqid": 99, "position": { - "x": 315.200012, + "x": 197.000000, "y": -0.000000 }, "alias": "P", @@ -8628,7 +8628,7 @@ "id": "299", "seqid": 101, "position": { - "x": 320.000000, + "x": 200.000000, "y": -0.000000 }, "alias": "dR", @@ -8639,8 +8639,8 @@ "id": "300", "seqid": 101, "position": { - "x": 320.000000, - "y": -1.600000 + "x": 200.000000, + "y": -1.000000 }, "alias": "G", "templateId": "G___Guanine" @@ -8650,7 +8650,7 @@ "id": "301", "seqid": 100, "position": { - "x": 318.399994, + "x": 199.000000, "y": -0.000000 }, "alias": "P", @@ -8661,7 +8661,7 @@ "id": "302", "seqid": 102, "position": { - "x": 323.200012, + "x": 202.000000, "y": -0.000000 }, "alias": "dR", @@ -8672,8 +8672,8 @@ "id": "303", "seqid": 102, "position": { - "x": 323.200012, - "y": -1.600000 + "x": 202.000000, + "y": -1.000000 }, "alias": "G", "templateId": "G___Guanine" @@ -8683,7 +8683,7 @@ "id": "304", "seqid": 101, "position": { - "x": 321.600006, + "x": 201.000000, "y": -0.000000 }, "alias": "P", @@ -8694,7 +8694,7 @@ "id": "305", "seqid": 103, "position": { - "x": 326.399994, + "x": 204.000000, "y": -0.000000 }, "alias": "dR", @@ -8705,8 +8705,8 @@ "id": "306", "seqid": 103, "position": { - "x": 326.399994, - "y": -1.600000 + "x": 204.000000, + "y": -1.000000 }, "alias": "T", "templateId": "T___Thymine" @@ -8716,7 +8716,7 @@ "id": "307", "seqid": 102, "position": { - "x": 324.799988, + "x": 203.000000, "y": -0.000000 }, "alias": "P", @@ -8727,7 +8727,7 @@ "id": "308", "seqid": 104, "position": { - "x": 329.600006, + "x": 206.000000, "y": -0.000000 }, "alias": "dR", @@ -8738,8 +8738,8 @@ "id": "309", "seqid": 104, "position": { - "x": 329.600006, - "y": -1.600000 + "x": 206.000000, + "y": -1.000000 }, "alias": "C", "templateId": "C___Cytosine" @@ -8749,7 +8749,7 @@ "id": "310", "seqid": 103, "position": { - "x": 328.000000, + "x": 205.000000, "y": -0.000000 }, "alias": "P", @@ -8760,7 +8760,7 @@ "id": "311", "seqid": 105, "position": { - "x": 332.800018, + "x": 208.000000, "y": -0.000000 }, "alias": "dR", @@ -8771,8 +8771,8 @@ "id": "312", "seqid": 105, "position": { - "x": 332.800018, - "y": -1.600000 + "x": 208.000000, + "y": -1.000000 }, "alias": "T", "templateId": "T___Thymine" @@ -8782,7 +8782,7 @@ "id": "313", "seqid": 104, "position": { - "x": 331.200012, + "x": 207.000000, "y": -0.000000 }, "alias": "P", @@ -8793,7 +8793,7 @@ "id": "314", "seqid": 106, "position": { - "x": 336.000000, + "x": 210.000000, "y": -0.000000 }, "alias": "dR", @@ -8804,8 +8804,8 @@ "id": "315", "seqid": 106, "position": { - "x": 336.000000, - "y": -1.600000 + "x": 210.000000, + "y": -1.000000 }, "alias": "T", "templateId": "T___Thymine" @@ -8815,7 +8815,7 @@ "id": "316", "seqid": 105, "position": { - "x": 334.399994, + "x": 209.000000, "y": -0.000000 }, "alias": "P", @@ -8826,7 +8826,7 @@ "id": "317", "seqid": 107, "position": { - "x": 339.200012, + "x": 212.000000, "y": -0.000000 }, "alias": "dR", @@ -8837,8 +8837,8 @@ "id": "318", "seqid": 107, "position": { - "x": 339.200012, - "y": -1.600000 + "x": 212.000000, + "y": -1.000000 }, "alias": "G", "templateId": "G___Guanine" @@ -8848,7 +8848,7 @@ "id": "319", "seqid": 106, "position": { - "x": 337.600006, + "x": 211.000000, "y": -0.000000 }, "alias": "P", @@ -8859,7 +8859,7 @@ "id": "320", "seqid": 108, "position": { - "x": 342.399994, + "x": 214.000000, "y": -0.000000 }, "alias": "dR", @@ -8870,8 +8870,8 @@ "id": "321", "seqid": 108, "position": { - "x": 342.399994, - "y": -1.600000 + "x": 214.000000, + "y": -1.000000 }, "alias": "C", "templateId": "C___Cytosine" @@ -8881,7 +8881,7 @@ "id": "322", "seqid": 107, "position": { - "x": 340.799988, + "x": 213.000000, "y": -0.000000 }, "alias": "P", @@ -8892,7 +8892,7 @@ "id": "323", "seqid": 109, "position": { - "x": 345.600006, + "x": 216.000000, "y": -0.000000 }, "alias": "dR", @@ -8903,8 +8903,8 @@ "id": "324", "seqid": 109, "position": { - "x": 345.600006, - "y": -1.600000 + "x": 216.000000, + "y": -1.000000 }, "alias": "A", "templateId": "A___Adenine" @@ -8914,7 +8914,7 @@ "id": "325", "seqid": 108, "position": { - "x": 344.000000, + "x": 215.000000, "y": -0.000000 }, "alias": "P", @@ -8925,7 +8925,7 @@ "id": "326", "seqid": 110, "position": { - "x": 348.800018, + "x": 218.000000, "y": -0.000000 }, "alias": "dR", @@ -8936,8 +8936,8 @@ "id": "327", "seqid": 110, "position": { - "x": 348.800018, - "y": -1.600000 + "x": 218.000000, + "y": -1.000000 }, "alias": "C", "templateId": "C___Cytosine" @@ -8947,7 +8947,7 @@ "id": "328", "seqid": 109, "position": { - "x": 347.200012, + "x": 217.000000, "y": -0.000000 }, "alias": "P", @@ -8958,7 +8958,7 @@ "id": "329", "seqid": 111, "position": { - "x": 352.000000, + "x": 220.000000, "y": -0.000000 }, "alias": "dR", @@ -8969,8 +8969,8 @@ "id": "330", "seqid": 111, "position": { - "x": 352.000000, - "y": -1.600000 + "x": 220.000000, + "y": -1.000000 }, "alias": "A", "templateId": "A___Adenine" @@ -8980,7 +8980,7 @@ "id": "331", "seqid": 110, "position": { - "x": 350.399994, + "x": 219.000000, "y": -0.000000 }, "alias": "P", @@ -8991,7 +8991,7 @@ "id": "332", "seqid": 112, "position": { - "x": 355.200012, + "x": 222.000000, "y": -0.000000 }, "alias": "dR", @@ -9002,8 +9002,8 @@ "id": "333", "seqid": 112, "position": { - "x": 355.200012, - "y": -1.600000 + "x": 222.000000, + "y": -1.000000 }, "alias": "A", "templateId": "A___Adenine" @@ -9013,7 +9013,7 @@ "id": "334", "seqid": 111, "position": { - "x": 353.600006, + "x": 221.000000, "y": -0.000000 }, "alias": "P", @@ -9024,7 +9024,7 @@ "id": "335", "seqid": 113, "position": { - "x": 358.399994, + "x": 224.000000, "y": -0.000000 }, "alias": "dR", @@ -9035,8 +9035,8 @@ "id": "336", "seqid": 113, "position": { - "x": 358.399994, - "y": -1.600000 + "x": 224.000000, + "y": -1.000000 }, "alias": "A", "templateId": "A___Adenine" @@ -9046,7 +9046,7 @@ "id": "337", "seqid": 112, "position": { - "x": 356.799988, + "x": 223.000000, "y": -0.000000 }, "alias": "P", @@ -9057,7 +9057,7 @@ "id": "338", "seqid": 114, "position": { - "x": 361.600006, + "x": 226.000000, "y": -0.000000 }, "alias": "dR", @@ -9068,8 +9068,8 @@ "id": "339", "seqid": 114, "position": { - "x": 361.600006, - "y": -1.600000 + "x": 226.000000, + "y": -1.000000 }, "alias": "G", "templateId": "G___Guanine" @@ -9079,7 +9079,7 @@ "id": "340", "seqid": 113, "position": { - "x": 360.000000, + "x": 225.000000, "y": -0.000000 }, "alias": "P", @@ -9090,7 +9090,7 @@ "id": "341", "seqid": 115, "position": { - "x": 364.800018, + "x": 228.000000, "y": -0.000000 }, "alias": "dR", @@ -9101,8 +9101,8 @@ "id": "342", "seqid": 115, "position": { - "x": 364.800018, - "y": -1.600000 + "x": 228.000000, + "y": -1.000000 }, "alias": "C", "templateId": "C___Cytosine" @@ -9112,7 +9112,7 @@ "id": "343", "seqid": 114, "position": { - "x": 363.200012, + "x": 227.000000, "y": -0.000000 }, "alias": "P", @@ -9123,7 +9123,7 @@ "id": "344", "seqid": 116, "position": { - "x": 368.000000, + "x": 230.000000, "y": -0.000000 }, "alias": "dR", @@ -9134,8 +9134,8 @@ "id": "345", "seqid": 116, "position": { - "x": 368.000000, - "y": -1.600000 + "x": 230.000000, + "y": -1.000000 }, "alias": "A", "templateId": "A___Adenine" @@ -9145,7 +9145,7 @@ "id": "346", "seqid": 115, "position": { - "x": 366.399994, + "x": 229.000000, "y": -0.000000 }, "alias": "P", @@ -9156,7 +9156,7 @@ "id": "347", "seqid": 117, "position": { - "x": 371.200012, + "x": 232.000000, "y": -0.000000 }, "alias": "dR", @@ -9167,8 +9167,8 @@ "id": "348", "seqid": 117, "position": { - "x": 371.200012, - "y": -1.600000 + "x": 232.000000, + "y": -1.000000 }, "alias": "A", "templateId": "A___Adenine" @@ -9178,7 +9178,7 @@ "id": "349", "seqid": 116, "position": { - "x": 369.600006, + "x": 231.000000, "y": -0.000000 }, "alias": "P", @@ -9189,7 +9189,7 @@ "id": "350", "seqid": 118, "position": { - "x": 374.399994, + "x": 234.000000, "y": -0.000000 }, "alias": "dR", @@ -9200,8 +9200,8 @@ "id": "351", "seqid": 118, "position": { - "x": 374.399994, - "y": -1.600000 + "x": 234.000000, + "y": -1.000000 }, "alias": "C", "templateId": "C___Cytosine" @@ -9211,7 +9211,7 @@ "id": "352", "seqid": 117, "position": { - "x": 372.799988, + "x": 233.000000, "y": -0.000000 }, "alias": "P", @@ -9222,7 +9222,7 @@ "id": "353", "seqid": 119, "position": { - "x": 377.600006, + "x": 236.000000, "y": -0.000000 }, "alias": "dR", @@ -9233,8 +9233,8 @@ "id": "354", "seqid": 119, "position": { - "x": 377.600006, - "y": -1.600000 + "x": 236.000000, + "y": -1.000000 }, "alias": "A", "templateId": "A___Adenine" @@ -9244,7 +9244,7 @@ "id": "355", "seqid": 118, "position": { - "x": 376.000000, + "x": 235.000000, "y": -0.000000 }, "alias": "P", @@ -9255,7 +9255,7 @@ "id": "356", "seqid": 120, "position": { - "x": 380.800018, + "x": 238.000000, "y": -0.000000 }, "alias": "dR", @@ -9266,8 +9266,8 @@ "id": "357", "seqid": 120, "position": { - "x": 380.800018, - "y": -1.600000 + "x": 238.000000, + "y": -1.000000 }, "alias": "T", "templateId": "T___Thymine" @@ -9277,7 +9277,7 @@ "id": "358", "seqid": 119, "position": { - "x": 379.200012, + "x": 237.000000, "y": -0.000000 }, "alias": "P", @@ -9288,7 +9288,7 @@ "id": "359", "seqid": 121, "position": { - "x": 384.000000, + "x": 240.000000, "y": -0.000000 }, "alias": "dR", @@ -9299,8 +9299,8 @@ "id": "360", "seqid": 121, "position": { - "x": 384.000000, - "y": -1.600000 + "x": 240.000000, + "y": -1.000000 }, "alias": "G", "templateId": "G___Guanine" @@ -9310,7 +9310,7 @@ "id": "361", "seqid": 120, "position": { - "x": 382.399994, + "x": 239.000000, "y": -0.000000 }, "alias": "P", @@ -9321,7 +9321,7 @@ "id": "362", "seqid": 122, "position": { - "x": 387.200012, + "x": 242.000000, "y": -0.000000 }, "alias": "dR", @@ -9332,8 +9332,8 @@ "id": "363", "seqid": 122, "position": { - "x": 387.200012, - "y": -1.600000 + "x": 242.000000, + "y": -1.000000 }, "alias": "G", "templateId": "G___Guanine" @@ -9343,7 +9343,7 @@ "id": "364", "seqid": 121, "position": { - "x": 385.600006, + "x": 241.000000, "y": -0.000000 }, "alias": "P", @@ -9354,7 +9354,7 @@ "id": "365", "seqid": 123, "position": { - "x": 390.399994, + "x": 244.000000, "y": -0.000000 }, "alias": "dR", @@ -9365,8 +9365,8 @@ "id": "366", "seqid": 123, "position": { - "x": 390.399994, - "y": -1.600000 + "x": 244.000000, + "y": -1.000000 }, "alias": "C", "templateId": "C___Cytosine" @@ -9376,7 +9376,7 @@ "id": "367", "seqid": 122, "position": { - "x": 388.799988, + "x": 243.000000, "y": -0.000000 }, "alias": "P", @@ -9387,7 +9387,7 @@ "id": "368", "seqid": 124, "position": { - "x": 393.600006, + "x": 246.000000, "y": -0.000000 }, "alias": "dR", @@ -9398,8 +9398,8 @@ "id": "369", "seqid": 124, "position": { - "x": 393.600006, - "y": -1.600000 + "x": 246.000000, + "y": -1.000000 }, "alias": "G", "templateId": "G___Guanine" @@ -9409,7 +9409,7 @@ "id": "370", "seqid": 123, "position": { - "x": 392.000000, + "x": 245.000000, "y": -0.000000 }, "alias": "P", @@ -9420,7 +9420,7 @@ "id": "371", "seqid": 125, "position": { - "x": 396.800018, + "x": 248.000000, "y": -0.000000 }, "alias": "dR", @@ -9431,8 +9431,8 @@ "id": "372", "seqid": 125, "position": { - "x": 396.800018, - "y": -1.600000 + "x": 248.000000, + "y": -1.000000 }, "alias": "A", "templateId": "A___Adenine" @@ -9442,7 +9442,7 @@ "id": "373", "seqid": 124, "position": { - "x": 395.200012, + "x": 247.000000, "y": -0.000000 }, "alias": "P", @@ -9453,7 +9453,7 @@ "id": "374", "seqid": 126, "position": { - "x": 400.000000, + "x": 250.000000, "y": -0.000000 }, "alias": "dR", @@ -9464,8 +9464,8 @@ "id": "375", "seqid": 126, "position": { - "x": 400.000000, - "y": -1.600000 + "x": 250.000000, + "y": -1.000000 }, "alias": "G", "templateId": "G___Guanine" @@ -9475,7 +9475,7 @@ "id": "376", "seqid": 125, "position": { - "x": 398.399994, + "x": 249.000000, "y": -0.000000 }, "alias": "P", @@ -9486,7 +9486,7 @@ "id": "377", "seqid": 127, "position": { - "x": 403.200012, + "x": 252.000000, "y": -0.000000 }, "alias": "dR", @@ -9497,8 +9497,8 @@ "id": "378", "seqid": 127, "position": { - "x": 403.200012, - "y": -1.600000 + "x": 252.000000, + "y": -1.000000 }, "alias": "A", "templateId": "A___Adenine" @@ -9508,7 +9508,7 @@ "id": "379", "seqid": 126, "position": { - "x": 401.600006, + "x": 251.000000, "y": -0.000000 }, "alias": "P", diff --git a/api/tests/integration/tests/formats/ref/test_peptide.ket b/api/tests/integration/tests/formats/ref/test_peptide.ket index 92575ae0fb..7479ed983a 100644 --- a/api/tests/integration/tests/formats/ref/test_peptide.ket +++ b/api/tests/integration/tests/formats/ref/test_peptide.ket @@ -7072,7 +7072,7 @@ "id": "1", "seqid": 2, "position": { - "x": 1.600000, + "x": 1.000000, "y": -0.000000 }, "alias": "I", @@ -7083,7 +7083,7 @@ "id": "2", "seqid": 3, "position": { - "x": 3.200000, + "x": 2.000000, "y": -0.000000 }, "alias": "I", @@ -7094,7 +7094,7 @@ "id": "3", "seqid": 4, "position": { - "x": 4.800000, + "x": 3.000000, "y": -0.000000 }, "alias": "G", @@ -7105,7 +7105,7 @@ "id": "4", "seqid": 5, "position": { - "x": 6.400000, + "x": 4.000000, "y": -0.000000 }, "alias": "Y", @@ -7116,7 +7116,7 @@ "id": "5", "seqid": 6, "position": { - "x": 8.000000, + "x": 5.000000, "y": -0.000000 }, "alias": "V", @@ -7127,7 +7127,7 @@ "id": "6", "seqid": 7, "position": { - "x": 9.600000, + "x": 6.000000, "y": -0.000000 }, "alias": "I", @@ -7138,7 +7138,7 @@ "id": "7", "seqid": 8, "position": { - "x": 11.200000, + "x": 7.000000, "y": -0.000000 }, "alias": "G", @@ -7149,7 +7149,7 @@ "id": "8", "seqid": 9, "position": { - "x": 12.800000, + "x": 8.000000, "y": -0.000000 }, "alias": "Q", @@ -7160,7 +7160,7 @@ "id": "9", "seqid": 10, "position": { - "x": 14.400001, + "x": 9.000000, "y": -0.000000 }, "alias": "A", @@ -7171,7 +7171,7 @@ "id": "10", "seqid": 11, "position": { - "x": 16.000000, + "x": 10.000000, "y": -0.000000 }, "alias": "T", @@ -7182,7 +7182,7 @@ "id": "11", "seqid": 12, "position": { - "x": 17.600000, + "x": 11.000000, "y": -0.000000 }, "alias": "T", @@ -7193,7 +7193,7 @@ "id": "12", "seqid": 13, "position": { - "x": 19.200001, + "x": 12.000000, "y": -0.000000 }, "alias": "Q", @@ -7204,7 +7204,7 @@ "id": "13", "seqid": 14, "position": { - "x": 20.800001, + "x": 13.000000, "y": -0.000000 }, "alias": "E", @@ -7215,7 +7215,7 @@ "id": "14", "seqid": 15, "position": { - "x": 22.400000, + "x": 14.000000, "y": -0.000000 }, "alias": "A", @@ -7226,7 +7226,7 @@ "id": "15", "seqid": 16, "position": { - "x": 24.000000, + "x": 15.000000, "y": -0.000000 }, "alias": "L", @@ -7237,7 +7237,7 @@ "id": "16", "seqid": 17, "position": { - "x": 25.600000, + "x": 16.000000, "y": -0.000000 }, "alias": "I", @@ -7248,7 +7248,7 @@ "id": "17", "seqid": 18, "position": { - "x": 27.200001, + "x": 17.000000, "y": -0.000000 }, "alias": "L", @@ -7259,7 +7259,7 @@ "id": "18", "seqid": 19, "position": { - "x": 28.800001, + "x": 18.000000, "y": -0.000000 }, "alias": "A", @@ -7270,7 +7270,7 @@ "id": "19", "seqid": 20, "position": { - "x": 30.400000, + "x": 19.000000, "y": -0.000000 }, "alias": "E", @@ -7281,7 +7281,7 @@ "id": "20", "seqid": 21, "position": { - "x": 32.000000, + "x": 20.000000, "y": -0.000000 }, "alias": "R", @@ -7292,7 +7292,7 @@ "id": "21", "seqid": 22, "position": { - "x": 33.600002, + "x": 21.000000, "y": -0.000000 }, "alias": "P", @@ -7303,7 +7303,7 @@ "id": "22", 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91.000000, "y": -0.000000 }, "alias": "M", @@ -8073,7 +8073,7 @@ "id": "92", "seqid": 93, "position": { - "x": 147.199997, + "x": 92.000000, "y": -0.000000 }, "alias": "P", @@ -8084,7 +8084,7 @@ "id": "93", "seqid": 94, "position": { - "x": 148.800003, + "x": 93.000000, "y": -0.000000 }, "alias": "D", @@ -8095,7 +8095,7 @@ "id": "94", "seqid": 95, "position": { - "x": 150.400009, + "x": 94.000000, "y": -0.000000 }, "alias": "I", @@ -8106,7 +8106,7 @@ "id": "95", "seqid": 96, "position": { - "x": 152.000000, + "x": 95.000000, "y": -0.000000 }, "alias": "P", @@ -8117,7 +8117,7 @@ "id": "96", "seqid": 97, "position": { - "x": 153.600006, + "x": 96.000000, "y": -0.000000 }, "alias": "P", @@ -8128,7 +8128,7 @@ "id": "97", "seqid": 98, "position": { - "x": 155.199997, + "x": 97.000000, "y": -0.000000 }, "alias": "F", @@ -8139,7 +8139,7 @@ "id": "98", "seqid": 99, "position": { - "x": 156.800003, + "x": 98.000000, "y": -0.000000 }, "alias": "A", @@ -8150,7 +8150,7 @@ "id": "99", "seqid": 100, 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"alias": "E", @@ -8238,7 +8238,7 @@ "id": "107", "seqid": 108, "position": { - "x": 171.199997, + "x": 107.000000, "y": -0.000000 }, "alias": "D", @@ -8249,7 +8249,7 @@ "id": "108", "seqid": 109, "position": { - "x": 172.800003, + "x": 108.000000, "y": -0.000000 }, "alias": "E", @@ -8260,7 +8260,7 @@ "id": "109", "seqid": 110, "position": { - "x": 174.400009, + "x": 109.000000, "y": -0.000000 }, "alias": "E", @@ -8271,7 +8271,7 @@ "id": "110", "seqid": 111, "position": { - "x": 176.000000, + "x": 110.000000, "y": -0.000000 }, "alias": "L", @@ -8282,7 +8282,7 @@ "id": "111", "seqid": 112, "position": { - "x": 177.600006, + "x": 111.000000, "y": -0.000000 }, "alias": "K", @@ -8293,7 +8293,7 @@ "id": "112", "seqid": 113, "position": { - "x": 179.199997, + "x": 112.000000, "y": -0.000000 }, "alias": "S", @@ -8304,7 +8304,7 @@ "id": "113", "seqid": 114, "position": { - "x": 180.800003, + "x": 113.000000, "y": -0.000000 }, "alias": "I", @@ -8315,7 +8315,7 @@ "id": "114", "seqid": 115, "position": { - "x": 182.400009, + "x": 114.000000, "y": -0.000000 }, "alias": "Y", @@ -8326,7 +8326,7 @@ "id": "115", "seqid": 116, "position": { - "x": 184.000000, + "x": 115.000000, "y": -0.000000 }, "alias": "S", @@ -8337,7 +8337,7 @@ "id": "116", "seqid": 117, "position": { - "x": 185.600006, + "x": 116.000000, "y": -0.000000 }, "alias": "Q", @@ -8348,7 +8348,7 @@ "id": "117", "seqid": 118, "position": { - "x": 187.199997, + "x": 117.000000, "y": -0.000000 }, "alias": "D", @@ -8359,7 +8359,7 @@ "id": "118", "seqid": 119, "position": { - "x": 188.800003, + "x": 118.000000, "y": -0.000000 }, "alias": "G", @@ -8370,7 +8370,7 @@ "id": "119", "seqid": 120, "position": { - "x": 190.400009, + "x": 119.000000, "y": -0.000000 }, "alias": "Q", @@ -8381,7 +8381,7 @@ "id": "120", "seqid": 121, "position": { - "x": 192.000000, + "x": 120.000000, "y": -0.000000 }, "alias": "I", @@ -8392,7 +8392,7 @@ "id": "121", "seqid": 122, "position": { - "x": 193.600006, + "x": 121.000000, "y": -0.000000 }, 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"alias": "N", @@ -9228,7 +9228,7 @@ "id": "197", "seqid": 198, "position": { - "x": 315.200012, + "x": 197.000000, "y": -0.000000 }, "alias": "P", @@ -9239,7 +9239,7 @@ "id": "198", "seqid": 199, "position": { - "x": 316.800018, + "x": 198.000000, "y": -0.000000 }, "alias": "L", @@ -9250,7 +9250,7 @@ "id": "199", "seqid": 200, "position": { - "x": 318.399994, + "x": 199.000000, "y": -0.000000 }, "alias": "Y", @@ -9261,7 +9261,7 @@ "id": "200", "seqid": 201, "position": { - "x": 320.000000, + "x": 200.000000, "y": -0.000000 }, "alias": "M", @@ -9272,7 +9272,7 @@ "id": "201", "seqid": 202, "position": { - "x": 321.600006, + "x": 201.000000, "y": -0.000000 }, "alias": "T", @@ -9283,7 +9283,7 @@ "id": "202", "seqid": 203, "position": { - "x": 323.200012, + "x": 202.000000, "y": -0.000000 }, "alias": "P", @@ -9294,7 +9294,7 @@ "id": "203", "seqid": 204, "position": { - "x": 324.800018, + "x": 203.000000, "y": -0.000000 }, "alias": "R", @@ -9305,7 +9305,7 @@ "id": "204", "seqid": 205, 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"alias": "I", @@ -9393,7 +9393,7 @@ "id": "212", "seqid": 213, "position": { - "x": 339.200012, + "x": 212.000000, "y": -0.000000 }, "alias": "R", @@ -9404,7 +9404,7 @@ "id": "213", "seqid": 214, "position": { - "x": 340.800018, + "x": 213.000000, "y": -0.000000 }, "alias": "E", @@ -9415,7 +9415,7 @@ "id": "214", "seqid": 215, "position": { - "x": 342.399994, + "x": 214.000000, "y": -0.000000 }, "alias": "N", @@ -9426,7 +9426,7 @@ "id": "215", "seqid": 216, "position": { - "x": 344.000000, + "x": 215.000000, "y": -0.000000 }, "alias": "A", @@ -9437,7 +9437,7 @@ "id": "216", "seqid": 217, "position": { - "x": 345.600006, + "x": 216.000000, "y": -0.000000 }, "alias": "I", @@ -9448,7 +9448,7 @@ "id": "217", "seqid": 218, "position": { - "x": 347.200012, + "x": 217.000000, "y": -0.000000 }, "alias": "I", @@ -9459,7 +9459,7 @@ "id": "218", "seqid": 219, "position": { - "x": 348.800018, + "x": 218.000000, "y": -0.000000 }, "alias": "Q", @@ -9470,7 +9470,7 @@ "id": "219", "seqid": 220, 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"alias": "F", @@ -9558,7 +9558,7 @@ "id": "227", "seqid": 228, "position": { - "x": 363.200012, + "x": 227.000000, "y": -0.000000 }, "alias": "I", @@ -9569,7 +9569,7 @@ "id": "228", "seqid": 229, "position": { - "x": 364.800018, + "x": 228.000000, "y": -0.000000 }, "alias": "K", @@ -9580,7 +9580,7 @@ "id": "229", "seqid": 230, "position": { - "x": 366.399994, + "x": 229.000000, "y": -0.000000 }, "alias": "V", @@ -9591,7 +9591,7 @@ "id": "230", "seqid": 231, "position": { - "x": 368.000000, + "x": 230.000000, "y": -0.000000 }, "alias": "T", @@ -9602,7 +9602,7 @@ "id": "231", "seqid": 232, "position": { - "x": 369.600006, + "x": 231.000000, "y": -0.000000 }, "alias": "N", @@ -9613,7 +9613,7 @@ "id": "232", "seqid": 233, "position": { - "x": 371.200012, + "x": 232.000000, "y": -0.000000 }, "alias": "G", @@ -9624,7 +9624,7 @@ "id": "233", "seqid": 234, "position": { - "x": 372.800018, + "x": 233.000000, "y": -0.000000 }, "alias": "I", @@ -9635,7 +9635,7 @@ "id": "234", "seqid": 235, "position": { - "x": 374.399994, + "x": 234.000000, "y": -0.000000 }, "alias": "R", @@ -9646,7 +9646,7 @@ "id": "235", "seqid": 236, "position": { - "x": 376.000000, + "x": 235.000000, "y": -0.000000 }, "alias": "A", @@ -9657,7 +9657,7 @@ "id": "236", "seqid": 237, "position": { - "x": 377.600006, + "x": 236.000000, "y": -0.000000 }, "alias": "A", @@ -9668,7 +9668,7 @@ "id": "237", "seqid": 238, "position": { - "x": 379.200012, + "x": 237.000000, "y": -0.000000 }, "alias": "L", @@ -9679,7 +9679,7 @@ "id": "238", "seqid": 239, "position": { - "x": 380.800018, + "x": 238.000000, "y": -0.000000 }, "alias": "A", @@ -9690,7 +9690,7 @@ "id": "239", "seqid": 240, "position": { - "x": 382.399994, + "x": 239.000000, "y": -0.000000 }, "alias": "A", @@ -9701,7 +9701,7 @@ "id": "240", "seqid": 241, "position": { - "x": 384.000000, + "x": 240.000000, "y": -0.000000 }, "alias": "G", @@ -9712,7 +9712,7 @@ "id": "241", "seqid": 242, "position": { - "x": 385.600006, + "x": 241.000000, "y": -0.000000 }, 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"alias": "V", @@ -11923,7 +11923,7 @@ "id": "442", "seqid": 443, "position": { - "x": 707.200012, + "x": 442.000000, "y": -0.000000 }, "alias": "G", @@ -11934,7 +11934,7 @@ "id": "443", "seqid": 444, "position": { - "x": 708.799988, + "x": 443.000000, "y": -0.000000 }, "alias": "E", @@ -11945,7 +11945,7 @@ "id": "444", "seqid": 445, "position": { - "x": 710.400024, + "x": 444.000000, "y": -0.000000 }, "alias": "A", @@ -11956,7 +11956,7 @@ "id": "445", "seqid": 446, "position": { - "x": 712.000000, + "x": 445.000000, "y": -0.000000 }, "alias": "I", @@ -11967,7 +11967,7 @@ "id": "446", "seqid": 447, "position": { - "x": 713.600037, + "x": 446.000000, "y": -0.000000 }, "alias": "I", @@ -11978,7 +11978,7 @@ "id": "447", "seqid": 448, "position": { - "x": 715.200012, + "x": 447.000000, "y": -0.000000 }, "alias": "I", @@ -11989,7 +11989,7 @@ "id": "448", "seqid": 449, "position": { - "x": 716.799988, + "x": 448.000000, "y": -0.000000 }, "alias": "G", @@ -12000,7 +12000,7 @@ "id": "449", 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456.000000, "y": -0.000000 }, "alias": "V", @@ -12088,7 +12088,7 @@ "id": "457", "seqid": 458, "position": { - "x": 731.200012, + "x": 457.000000, "y": -0.000000 }, "alias": "V", @@ -12099,7 +12099,7 @@ "id": "458", "seqid": 459, "position": { - "x": 732.799988, + "x": 458.000000, "y": -0.000000 }, "alias": "K", @@ -12110,7 +12110,7 @@ "id": "459", "seqid": 460, "position": { - "x": 734.400024, + "x": 459.000000, "y": -0.000000 }, "alias": "I", @@ -12121,7 +12121,7 @@ "id": "460", "seqid": 461, "position": { - "x": 736.000000, + "x": 460.000000, "y": -0.000000 }, "alias": "D", @@ -12132,7 +12132,7 @@ "id": "461", "seqid": 462, "position": { - "x": 737.600037, + "x": 461.000000, "y": -0.000000 }, "alias": "M", @@ -12143,7 +12143,7 @@ "id": "462", "seqid": 463, "position": { - "x": 739.200012, + "x": 462.000000, "y": -0.000000 }, "alias": "F", @@ -12154,7 +12154,7 @@ "id": "463", "seqid": 464, "position": { - "x": 740.799988, + "x": 463.000000, "y": -0.000000 }, "alias": "E", @@ -12165,7 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"x": 753.600037, + "x": 471.000000, "y": -0.000000 }, "alias": "P", @@ -12253,7 +12253,7 @@ "id": "472", "seqid": 473, "position": { - "x": 755.200012, + "x": 472.000000, "y": -0.000000 }, "alias": "D", @@ -12264,7 +12264,7 @@ "id": "473", "seqid": 474, "position": { - "x": 756.799988, + "x": 473.000000, "y": -0.000000 }, "alias": "M", @@ -12275,7 +12275,7 @@ "id": "474", "seqid": 475, "position": { - "x": 758.400024, + "x": 474.000000, "y": -0.000000 }, "alias": "I", @@ -12286,7 +12286,7 @@ "id": "475", "seqid": 476, "position": { - "x": 760.000000, + "x": 475.000000, "y": -0.000000 }, "alias": "G", @@ -12297,7 +12297,7 @@ "id": "476", "seqid": 477, "position": { - "x": 761.600037, + "x": 476.000000, "y": -0.000000 }, "alias": "E", @@ -12308,7 +12308,7 @@ "id": "477", "seqid": 478, "position": { - "x": 763.200012, + "x": 477.000000, "y": -0.000000 }, "alias": "W", @@ -12319,7 +12319,7 @@ "id": "478", "seqid": 479, "position": { - "x": 764.799988, + "x": 478.000000, "y": -0.000000 }, "alias": "K", @@ -12330,7 +12330,7 @@ "id": "479", "seqid": 480, "position": { - "x": 766.400024, + "x": 479.000000, "y": -0.000000 }, "alias": "K", @@ -12341,7 +12341,7 @@ "id": "480", "seqid": 481, "position": { - "x": 768.000000, + "x": 480.000000, "y": -0.000000 }, "alias": "V", @@ -12352,7 +12352,7 @@ "id": "481", "seqid": 482, "position": { - "x": 769.600037, + "x": 481.000000, "y": -0.000000 }, "alias": "A", @@ -12363,7 +12363,7 @@ "id": "482", "seqid": 483, "position": { - "x": 771.200012, + "x": 482.000000, "y": -0.000000 }, "alias": "A", @@ -12374,7 +12374,7 @@ "id": "483", "seqid": 484, "position": { - "x": 772.799988, + "x": 483.000000, "y": -0.000000 }, "alias": "S", @@ -12385,7 +12385,7 @@ "id": "484", "seqid": 485, "position": { - "x": 774.400024, + "x": 484.000000, "y": -0.000000 }, "alias": "E", @@ -12396,7 +12396,7 @@ "id": "485", "seqid": 486, "position": { - "x": 776.000000, + "x": 485.000000, "y": -0.000000 }, "alias": "K", @@ -12407,7 +12407,7 @@ "id": "486", "seqid": 487, "position": { - "x": 777.600037, + "x": 486.000000, "y": -0.000000 }, "alias": "I", @@ -12418,7 +12418,7 @@ "id": "487", "seqid": 488, "position": { - "x": 779.200012, + "x": 487.000000, "y": -0.000000 }, "alias": "A", @@ -12429,7 +12429,7 @@ "id": "488", "seqid": 489, "position": { - "x": 780.799988, + "x": 488.000000, "y": -0.000000 }, "alias": "K", @@ -12440,7 +12440,7 @@ "id": "489", "seqid": 490, "position": { - "x": 782.400024, + "x": 489.000000, "y": -0.000000 }, "alias": "G", @@ -12451,7 +12451,7 @@ "id": "490", "seqid": 491, "position": { - "x": 784.000000, + "x": 490.000000, "y": -0.000000 }, "alias": "F", @@ -12462,7 +12462,7 @@ "id": "491", "seqid": 492, "position": { - "x": 785.600037, + "x": 491.000000, "y": -0.000000 }, "alias": "A", @@ -12473,7 +12473,7 @@ "id": "492", "seqid": 493, "position": { - "x": 787.200012, + "x": 492.000000, "y": -0.000000 }, "alias": "D", @@ -12484,7 +12484,7 @@ "id": "493", "seqid": 494, "position": { - "x": 788.799988, + "x": 493.000000, "y": -0.000000 }, "alias": "F", @@ -12495,7 +12495,7 @@ "id": "494", "seqid": 495, "position": { - "x": 790.400024, + "x": 494.000000, "y": -0.000000 }, "alias": "G", @@ -12506,7 +12506,7 @@ "id": "495", "seqid": 496, "position": { - "x": 792.000000, + "x": 495.000000, "y": -0.000000 }, "alias": "T", @@ -12517,7 +12517,7 @@ "id": "496", "seqid": 497, "position": { - "x": 793.600037, + "x": 496.000000, "y": -0.000000 }, "alias": "E", @@ -12528,7 +12528,7 @@ "id": "497", "seqid": 498, "position": { - "x": 795.200012, + "x": 497.000000, "y": -0.000000 }, "alias": "I", @@ -12539,7 +12539,7 @@ "id": "498", "seqid": 499, "position": { - "x": 796.799988, + "x": 498.000000, "y": -0.000000 }, "alias": "G", @@ -12550,7 +12550,7 @@ "id": "499", "seqid": 500, "position": { - "x": 798.400024, + "x": 499.000000, "y": -0.000000 }, "alias": "D", diff --git a/api/tests/integration/tests/formats/ref/test_rna.ket b/api/tests/integration/tests/formats/ref/test_rna.ket index 6f188a5eae..b074b11dac 100644 --- a/api/tests/integration/tests/formats/ref/test_rna.ket +++ b/api/tests/integration/tests/formats/ref/test_rna.ket @@ -5351,7 +5351,7 @@ "seqid": 1, "position": { "x": 0.000000, - "y": -1.600000 + "y": -1.000000 }, "alias": "U", "templateId": "U___Uracil" @@ -5361,7 +5361,7 @@ "id": "2", "seqid": 2, "position": { - "x": 3.200000, + "x": 2.000000, "y": -0.000000 }, "alias": "R", @@ -5372,8 +5372,8 @@ "id": "3", "seqid": 2, "position": { - "x": 3.200000, - "y": -1.600000 + "x": 2.000000, + "y": -1.000000 }, "alias": "C", "templateId": "C___Cytosine" @@ -5383,7 +5383,7 @@ "id": "4", "seqid": 1, "position": { - "x": 1.600000, + "x": 1.000000, "y": -0.000000 }, "alias": "P", @@ -5394,7 +5394,7 @@ "id": "5", "seqid": 3, "position": { - "x": 6.400000, + "x": 4.000000, "y": -0.000000 }, "alias": "R", @@ -5405,8 +5405,8 @@ "id": "6", "seqid": 3, "position": { - "x": 6.400000, - "y": -1.600000 + "x": 4.000000, + "y": -1.000000 }, "alias": "C", "templateId": "C___Cytosine" @@ -5416,7 +5416,7 @@ "id": "7", "seqid": 2, "position": { - "x": 4.800000, + "x": 3.000000, "y": -0.000000 }, "alias": "P", @@ -5427,7 +5427,7 @@ "id": "8", "seqid": 4, "position": { - "x": 9.600000, + "x": 6.000000, "y": -0.000000 }, "alias": "R", @@ -5438,8 +5438,8 @@ "id": "9", "seqid": 4, "position": { - "x": 9.600000, - "y": -1.600000 + "x": 6.000000, + "y": -1.000000 }, "alias": "A", "templateId": "A___Adenine" @@ -5449,7 +5449,7 @@ "id": "10", "seqid": 3, "position": { - "x": 8.000000, + "x": 5.000000, "y": -0.000000 }, "alias": "P", @@ -5460,7 +5460,7 @@ "id": "11", "seqid": 5, "position": { - "x": 12.800000, + "x": 8.000000, "y": -0.000000 }, "alias": "R", @@ -5471,8 +5471,8 @@ "id": "12", "seqid": 5, "position": { - "x": 12.800000, - "y": -1.600000 + "x": 8.000000, + "y": -1.000000 }, "alias": "G", "templateId": "G___Guanine" @@ -5482,7 +5482,7 @@ "id": "13", "seqid": 4, "position": { - "x": 11.200000, + "x": 7.000000, "y": -0.000000 }, "alias": "P", @@ -5493,7 +5493,7 @@ "id": "14", "seqid": 6, "position": { - "x": 16.000000, + "x": 10.000000, "y": -0.000000 }, "alias": "R", @@ -5504,8 +5504,8 @@ "id": "15", "seqid": 6, "position": { - "x": 16.000000, - "y": -1.600000 + "x": 10.000000, + "y": -1.000000 }, "alias": "C", "templateId": "C___Cytosine" @@ -5515,7 +5515,7 @@ "id": "16", "seqid": 5, "position": { - "x": 14.400000, + "x": 9.000000, "y": -0.000000 }, "alias": "P", @@ -5526,7 +5526,7 @@ "id": "17", "seqid": 7, "position": { - "x": 19.200001, + "x": 12.000000, "y": -0.000000 }, "alias": "R", @@ -5537,8 +5537,8 @@ "id": "18", "seqid": 7, "position": { - "x": 19.200001, - "y": -1.600000 + "x": 12.000000, + "y": -1.000000 }, "alias": "C", "templateId": "C___Cytosine" @@ -5548,7 +5548,7 @@ "id": "19", "seqid": 6, "position": { - "x": 17.600000, + "x": 11.000000, "y": -0.000000 }, "alias": "P", @@ -5559,7 +5559,7 @@ "id": "20", "seqid": 8, "position": { - "x": 22.400000, + "x": 14.000000, "y": -0.000000 }, "alias": "R", @@ -5570,8 +5570,8 @@ "id": "21", "seqid": 8, "position": { - "x": 22.400000, - "y": -1.600000 + "x": 14.000000, + "y": -1.000000 }, "alias": "A", "templateId": "A___Adenine" @@ -5581,7 +5581,7 @@ "id": "22", "seqid": 7, "position": { - "x": 20.799999, + "x": 13.000000, "y": -0.000000 }, "alias": "P", @@ -5592,7 +5592,7 @@ "id": "23", "seqid": 9, "position": { - "x": 25.600000, + "x": 16.000000, "y": -0.000000 }, "alias": "R", @@ -5603,8 +5603,8 @@ "id": "24", "seqid": 9, "position": { - "x": 25.600000, - "y": -1.600000 + "x": 16.000000, + "y": -1.000000 }, "alias": "U", "templateId": "U___Uracil" @@ -5614,7 +5614,7 @@ "id": "25", "seqid": 8, "position": { - "x": 24.000000, + "x": 15.000000, "y": -0.000000 }, "alias": "P", @@ -5625,7 +5625,7 @@ "id": "26", "seqid": 10, "position": { - "x": 28.800001, + "x": 18.000000, "y": -0.000000 }, "alias": "R", @@ -5636,8 +5636,8 @@ "id": "27", "seqid": 10, "position": { - "x": 28.800001, - "y": -1.600000 + "x": 18.000000, + "y": -1.000000 }, "alias": "U", "templateId": "U___Uracil" @@ -5647,7 +5647,7 @@ "id": "28", "seqid": 9, "position": { - "x": 27.200001, + "x": 17.000000, "y": -0.000000 }, "alias": "P", @@ -5658,7 +5658,7 @@ "id": "29", "seqid": 11, "position": { - "x": 32.000000, + "x": 20.000000, "y": -0.000000 }, "alias": "R", @@ -5669,8 +5669,8 @@ "id": "30", "seqid": 11, "position": { - "x": 32.000000, - "y": -1.600000 + "x": 20.000000, + "y": -1.000000 }, "alias": "G", "templateId": "G___Guanine" @@ -5680,7 +5680,7 @@ "id": "31", "seqid": 10, "position": { - "x": 30.400000, + "x": 19.000000, "y": -0.000000 }, "alias": "P", @@ -5691,7 +5691,7 @@ "id": "32", "seqid": 12, "position": { - "x": 35.200001, + "x": 22.000000, "y": -0.000000 }, "alias": "R", @@ -5702,8 +5702,8 @@ "id": "33", "seqid": 12, "position": { - "x": 35.200001, - "y": -1.600000 + "x": 22.000000, + "y": -1.000000 }, "alias": "U", "templateId": "U___Uracil" @@ -5713,7 +5713,7 @@ "id": "34", "seqid": 11, "position": { - "x": 33.600002, + "x": 21.000000, "y": -0.000000 }, "alias": "P", @@ -5724,7 +5724,7 @@ "id": "35", "seqid": 13, "position": { - "x": 38.400002, + "x": 24.000000, "y": -0.000000 }, "alias": "R", @@ -5735,8 +5735,8 @@ "id": "36", "seqid": 13, "position": { - "x": 38.400002, - "y": -1.600000 + "x": 24.000000, + "y": -1.000000 }, "alias": "G", "templateId": "G___Guanine" @@ -5746,7 +5746,7 @@ "id": "37", "seqid": 12, "position": { - "x": 36.800003, + "x": 23.000000, "y": -0.000000 }, "alias": "P", @@ -5757,7 +5757,7 @@ "id": "38", "seqid": 14, "position": { - "x": 41.600002, + "x": 26.000000, "y": -0.000000 }, "alias": "R", @@ -5768,8 +5768,8 @@ "id": "39", "seqid": 14, "position": { - "x": 41.600002, - "y": -1.600000 + "x": 26.000000, + "y": -1.000000 }, "alias": "A", "templateId": "A___Adenine" @@ -5779,7 +5779,7 @@ "id": "40", "seqid": 13, "position": { - "x": 40.000004, + "x": 25.000000, "y": -0.000000 }, "alias": "P", @@ -5790,7 +5790,7 @@ "id": "41", "seqid": 15, "position": { - "x": 44.799999, + "x": 28.000000, "y": -0.000000 }, "alias": "R", @@ -5801,8 +5801,8 @@ "id": "42", "seqid": 15, "position": { - "x": 44.799999, - "y": -1.600000 + "x": 28.000000, + "y": -1.000000 }, "alias": "U", "templateId": "U___Uracil" @@ -5812,7 +5812,7 @@ "id": "43", "seqid": 14, "position": { - "x": 43.200001, + "x": 27.000000, "y": -0.000000 }, "alias": "P", @@ -5823,7 +5823,7 @@ "id": "44", "seqid": 16, "position": { - "x": 48.000000, + "x": 30.000000, "y": -0.000000 }, "alias": "R", @@ -5834,8 +5834,8 @@ "id": "45", "seqid": 16, "position": { - "x": 48.000000, - "y": -1.600000 + "x": 30.000000, + "y": -1.000000 }, "alias": "U", "templateId": "U___Uracil" @@ -5845,7 +5845,7 @@ "id": "46", "seqid": 15, "position": { - "x": 46.400002, + "x": 29.000000, "y": -0.000000 }, "alias": "P", @@ -5856,7 +5856,7 @@ "id": "47", "seqid": 17, "position": { - "x": 51.200001, + "x": 32.000000, "y": -0.000000 }, "alias": "R", @@ -5867,8 +5867,8 @@ "id": "48", "seqid": 17, "position": { - "x": 51.200001, - "y": -1.600000 + "x": 32.000000, + "y": -1.000000 }, "alias": "G", "templateId": "G___Guanine" @@ -5878,7 +5878,7 @@ "id": "49", "seqid": 16, "position": { - "x": 49.600002, + "x": 31.000000, "y": -0.000000 }, "alias": "P", @@ -5889,7 +5889,7 @@ "id": "50", "seqid": 18, "position": { - "x": 54.400002, + "x": 34.000000, "y": -0.000000 }, "alias": "R", @@ -5900,8 +5900,8 @@ "id": "51", "seqid": 18, "position": { - "x": 54.400002, - "y": -1.600000 + "x": 34.000000, + "y": -1.000000 }, "alias": "C", "templateId": "C___Cytosine" @@ -5911,7 +5911,7 @@ "id": "52", "seqid": 17, "position": { - "x": 52.800003, + "x": 33.000000, "y": -0.000000 }, "alias": "P", @@ -5922,7 +5922,7 @@ "id": "53", "seqid": 19, "position": { - "x": 57.600002, + "x": 36.000000, "y": -0.000000 }, "alias": "R", @@ -5933,8 +5933,8 @@ "id": "54", "seqid": 19, "position": { - "x": 57.600002, - "y": -1.600000 + "x": 36.000000, + "y": -1.000000 }, "alias": "A", "templateId": "A___Adenine" @@ -5944,7 +5944,7 @@ "id": "55", "seqid": 18, "position": { - "x": 56.000004, + "x": 35.000000, "y": -0.000000 }, "alias": "P", @@ -5955,7 +5955,7 @@ "id": "56", "seqid": 20, "position": { - "x": 60.799999, + "x": 38.000000, "y": -0.000000 }, "alias": "R", @@ -5966,8 +5966,8 @@ "id": "57", "seqid": 20, "position": { - "x": 60.799999, - "y": -1.600000 + "x": 38.000000, + "y": -1.000000 }, "alias": "U", "templateId": "U___Uracil" @@ -5977,7 +5977,7 @@ "id": "58", "seqid": 19, "position": { - "x": 59.200001, + "x": 37.000000, "y": -0.000000 }, "alias": "P", @@ -5988,7 +5988,7 @@ "id": "59", "seqid": 21, "position": { - "x": 64.000000, + "x": 40.000000, "y": -0.000000 }, "alias": "R", @@ -5999,8 +5999,8 @@ "id": "60", "seqid": 21, "position": { - "x": 64.000000, - "y": -1.600000 + "x": 40.000000, + "y": -1.000000 }, "alias": "G", "templateId": "G___Guanine" @@ -6010,7 +6010,7 @@ "id": "61", "seqid": 20, "position": { - "x": 62.400002, + "x": 39.000000, "y": -0.000000 }, "alias": "P", @@ -6021,7 +6021,7 @@ "id": "62", "seqid": 22, "position": { - "x": 67.200005, + "x": 42.000000, "y": -0.000000 }, "alias": "R", @@ -6032,8 +6032,8 @@ "id": "63", "seqid": 22, "position": { - "x": 67.200005, - "y": -1.600000 + "x": 42.000000, + "y": -1.000000 }, "alias": "U", "templateId": "U___Uracil" @@ -6043,7 +6043,7 @@ "id": "64", "seqid": 21, "position": { - "x": 65.600006, + "x": 41.000000, "y": -0.000000 }, "alias": "P", @@ -6054,7 +6054,7 @@ "id": "65", "seqid": 23, "position": { - "x": 70.400002, + "x": 44.000000, "y": -0.000000 }, "alias": "R", @@ -6065,8 +6065,8 @@ "id": "66", "seqid": 23, "position": { - "x": 70.400002, - "y": -1.600000 + "x": 44.000000, + "y": -1.000000 }, "alias": "U", "templateId": "U___Uracil" @@ -6076,7 +6076,7 @@ "id": "67", "seqid": 22, "position": { - "x": 68.800003, + "x": 43.000000, "y": -0.000000 }, "alias": "P", @@ -6087,7 +6087,7 @@ "id": "68", "seqid": 24, "position": { - "x": 73.599998, + "x": 46.000000, "y": -0.000000 }, "alias": "R", @@ -6098,8 +6098,8 @@ "id": "69", "seqid": 24, "position": { - "x": 73.599998, - "y": -1.600000 + "x": 46.000000, + "y": -1.000000 }, "alias": "C", "templateId": "C___Cytosine" @@ -6109,7 +6109,7 @@ "id": "70", "seqid": 23, "position": { - "x": 72.000000, + "x": 45.000000, "y": -0.000000 }, "alias": "P", @@ -6120,7 +6120,7 @@ "id": "71", "seqid": 25, "position": { - "x": 76.800003, + "x": 48.000000, "y": -0.000000 }, "alias": "R", @@ -6131,8 +6131,8 @@ "id": "72", "seqid": 25, "position": { - "x": 76.800003, - "y": -1.600000 + "x": 48.000000, + "y": -1.000000 }, "alias": "C", "templateId": "C___Cytosine" @@ -6142,7 +6142,7 @@ "id": "73", "seqid": 24, "position": { - "x": 75.200005, + "x": 47.000000, "y": -0.000000 }, "alias": "P", @@ -6153,7 +6153,7 @@ "id": "74", "seqid": 26, "position": { - "x": 80.000000, + "x": 50.000000, "y": -0.000000 }, "alias": "R", @@ -6164,8 +6164,8 @@ "id": "75", "seqid": 26, "position": { - "x": 80.000000, - "y": -1.600000 + "x": 50.000000, + "y": -1.000000 }, "alias": "C", "templateId": "C___Cytosine" @@ -6175,7 +6175,7 @@ "id": "76", "seqid": 25, "position": { - "x": 78.400002, + "x": 49.000000, "y": -0.000000 }, "alias": "P", @@ -6186,7 +6186,7 @@ "id": "77", "seqid": 27, "position": { - "x": 83.200005, + "x": 52.000000, "y": -0.000000 }, "alias": "R", @@ -6197,8 +6197,8 @@ "id": "78", "seqid": 27, "position": { - "x": 83.200005, - "y": -1.600000 + "x": 52.000000, + "y": -1.000000 }, "alias": "A", "templateId": "A___Adenine" @@ -6208,7 +6208,7 @@ "id": "79", "seqid": 26, "position": { - "x": 81.600006, + "x": 51.000000, "y": -0.000000 }, "alias": "P", @@ -6219,7 +6219,7 @@ "id": "80", "seqid": 28, "position": { - "x": 86.400002, + "x": 54.000000, "y": -0.000000 }, "alias": "R", @@ -6230,8 +6230,8 @@ "id": "81", "seqid": 28, "position": { - "x": 86.400002, - "y": -1.600000 + "x": 54.000000, + "y": -1.000000 }, "alias": "G", "templateId": "G___Guanine" @@ -6241,7 +6241,7 @@ "id": "82", "seqid": 27, "position": { - "x": 84.800003, + "x": 53.000000, "y": -0.000000 }, "alias": "P", @@ -6252,7 +6252,7 @@ "id": "83", "seqid": 29, "position": { - "x": 89.599998, + "x": 56.000000, "y": -0.000000 }, "alias": "R", @@ -6263,8 +6263,8 @@ "id": "84", "seqid": 29, "position": { - "x": 89.599998, - "y": -1.600000 + "x": 56.000000, + "y": -1.000000 }, "alias": "G", "templateId": "G___Guanine" @@ -6274,7 +6274,7 @@ "id": "85", "seqid": 28, "position": { - "x": 88.000000, + "x": 55.000000, "y": -0.000000 }, "alias": "P", @@ -6285,7 +6285,7 @@ "id": "86", "seqid": 30, "position": { - "x": 92.800003, + "x": 58.000000, "y": -0.000000 }, "alias": "R", @@ -6296,8 +6296,8 @@ "id": "87", "seqid": 30, "position": { - "x": 92.800003, - "y": -1.600000 + "x": 58.000000, + "y": -1.000000 }, "alias": "U", "templateId": "U___Uracil" @@ -6307,7 +6307,7 @@ "id": "88", "seqid": 29, "position": { - "x": 91.200005, + "x": 57.000000, "y": -0.000000 }, "alias": "P", @@ -6318,7 +6318,7 @@ "id": "89", "seqid": 31, "position": { - "x": 96.000000, + "x": 60.000000, "y": -0.000000 }, "alias": "R", @@ -6329,8 +6329,8 @@ "id": "90", "seqid": 31, "position": { - "x": 96.000000, - "y": -1.600000 + "x": 60.000000, + "y": -1.000000 }, "alias": "U", "templateId": "U___Uracil" @@ -6340,7 +6340,7 @@ "id": "91", "seqid": 30, "position": { - "x": 94.400002, + "x": 59.000000, "y": -0.000000 }, "alias": "P", @@ -6351,7 +6351,7 @@ "id": "92", "seqid": 32, "position": { - "x": 99.200005, + "x": 62.000000, "y": -0.000000 }, "alias": "R", @@ -6362,8 +6362,8 @@ "id": "93", "seqid": 32, "position": { - "x": 99.200005, - "y": -1.600000 + "x": 62.000000, + "y": -1.000000 }, "alias": "G", "templateId": "G___Guanine" @@ -6373,7 +6373,7 @@ "id": "94", "seqid": 31, "position": { - "x": 97.600006, + "x": 61.000000, "y": -0.000000 }, "alias": "P", @@ -6384,7 +6384,7 @@ "id": "95", "seqid": 33, "position": { - "x": 102.400002, + "x": 64.000000, "y": -0.000000 }, "alias": "R", @@ -6395,8 +6395,8 @@ "id": "96", "seqid": 33, "position": { - "x": 102.400002, - "y": -1.600000 + "x": 64.000000, + "y": -1.000000 }, "alias": "A", "templateId": "A___Adenine" @@ -6406,7 +6406,7 @@ "id": "97", "seqid": 32, "position": { - "x": 100.800003, + "x": 63.000000, "y": -0.000000 }, "alias": "P", @@ -6417,7 +6417,7 @@ "id": "98", "seqid": 34, "position": { - "x": 105.599998, + "x": 66.000000, "y": -0.000000 }, "alias": "R", @@ -6428,8 +6428,8 @@ "id": "99", "seqid": 34, "position": { - "x": 105.599998, - "y": -1.600000 + "x": 66.000000, + "y": -1.000000 }, "alias": "G", "templateId": "G___Guanine" @@ -6439,7 +6439,7 @@ "id": "100", "seqid": 33, "position": { - "x": 104.000000, + "x": 65.000000, "y": -0.000000 }, "alias": "P", @@ -6450,7 +6450,7 @@ "id": "101", "seqid": 35, "position": { - "x": 108.800003, + "x": 68.000000, "y": -0.000000 }, "alias": "R", @@ -6461,8 +6461,8 @@ "id": "102", "seqid": 35, "position": { - "x": 108.800003, - "y": -1.600000 + "x": 68.000000, + "y": -1.000000 }, "alias": "G", "templateId": "G___Guanine" @@ -6472,7 +6472,7 @@ "id": "103", "seqid": 34, "position": { - "x": 107.200005, + "x": 67.000000, "y": -0.000000 }, "alias": "P", @@ -6483,7 +6483,7 @@ "id": "104", "seqid": 36, "position": { - "x": 112.000000, + "x": 70.000000, "y": -0.000000 }, "alias": "R", @@ -6494,8 +6494,8 @@ "id": "105", "seqid": 36, "position": { - "x": 112.000000, - "y": -1.600000 + "x": 70.000000, + "y": -1.000000 }, "alias": "U", "templateId": "U___Uracil" @@ -6505,7 +6505,7 @@ "id": "106", "seqid": 35, "position": { - "x": 110.400002, + "x": 69.000000, "y": -0.000000 }, "alias": "P", @@ -6516,7 +6516,7 @@ "id": "107", "seqid": 37, "position": { - "x": 115.200005, + "x": 72.000000, "y": -0.000000 }, "alias": "R", @@ -6527,8 +6527,8 @@ "id": "108", "seqid": 37, "position": { - "x": 115.200005, - "y": -1.600000 + "x": 72.000000, + "y": -1.000000 }, "alias": "A", "templateId": "A___Adenine" @@ -6538,7 +6538,7 @@ "id": "109", "seqid": 36, "position": { - "x": 113.600006, + "x": 71.000000, "y": -0.000000 }, "alias": "P", @@ -6549,7 +6549,7 @@ "id": "110", "seqid": 38, "position": { - "x": 118.400002, + "x": 74.000000, "y": -0.000000 }, "alias": "R", @@ -6560,8 +6560,8 @@ "id": "111", "seqid": 38, "position": { - "x": 118.400002, - "y": -1.600000 + "x": 74.000000, + "y": -1.000000 }, "alias": "G", "templateId": "G___Guanine" @@ -6571,7 +6571,7 @@ "id": "112", "seqid": 37, "position": { - "x": 116.800003, + "x": 73.000000, "y": -0.000000 }, "alias": "P", @@ -6582,7 +6582,7 @@ "id": "113", "seqid": 39, "position": { - "x": 121.599998, + "x": 76.000000, "y": -0.000000 }, "alias": "R", @@ -6593,8 +6593,8 @@ "id": "114", "seqid": 39, "position": { - "x": 121.599998, - "y": -1.600000 + "x": 76.000000, + "y": -1.000000 }, "alias": "U", "templateId": "U___Uracil" @@ -6604,7 +6604,7 @@ "id": "115", "seqid": 38, "position": { - "x": 120.000000, + "x": 75.000000, "y": -0.000000 }, "alias": "P", @@ -6615,7 +6615,7 @@ "id": "116", "seqid": 40, "position": { - "x": 124.800003, + "x": 78.000000, "y": -0.000000 }, "alias": "R", @@ -6626,8 +6626,8 @@ "id": "117", "seqid": 40, "position": { - "x": 124.800003, - "y": -1.600000 + "x": 78.000000, + "y": -1.000000 }, "alias": "A", "templateId": "A___Adenine" @@ -6637,7 +6637,7 @@ "id": "118", "seqid": 39, "position": { - "x": 123.200005, + "x": 77.000000, "y": -0.000000 }, "alias": "P", @@ -6648,7 +6648,7 @@ "id": "119", "seqid": 41, "position": { - "x": 128.000000, + "x": 80.000000, "y": -0.000000 }, "alias": "R", @@ -6659,8 +6659,8 @@ "id": "120", "seqid": 41, "position": { - "x": 128.000000, - "y": -1.600000 + "x": 80.000000, + "y": -1.000000 }, "alias": "G", "templateId": "G___Guanine" @@ -6670,7 +6670,7 @@ "id": "121", "seqid": 40, "position": { - "x": 126.400002, + "x": 79.000000, "y": -0.000000 }, "alias": "P", @@ -6681,7 +6681,7 @@ "id": "122", "seqid": 42, "position": { - "x": 131.199997, + "x": 82.000000, "y": -0.000000 }, "alias": "R", @@ -6692,8 +6692,8 @@ "id": "123", "seqid": 42, "position": { - "x": 131.199997, - "y": -1.600000 + "x": 82.000000, + "y": -1.000000 }, "alias": "G", "templateId": "G___Guanine" @@ -6703,7 +6703,7 @@ "id": "124", "seqid": 41, "position": { - "x": 129.599991, + "x": 81.000000, "y": -0.000000 }, "alias": "P", @@ -6714,7 +6714,7 @@ "id": "125", "seqid": 43, "position": { - "x": 134.400009, + "x": 84.000000, "y": -0.000000 }, "alias": "R", @@ -6725,8 +6725,8 @@ "id": "126", "seqid": 43, "position": { - "x": 134.400009, - "y": -1.600000 + "x": 84.000000, + "y": -1.000000 }, "alias": "U", "templateId": "U___Uracil" @@ -6736,7 +6736,7 @@ "id": "127", "seqid": 42, "position": { - "x": 132.800003, + "x": 83.000000, "y": -0.000000 }, "alias": "P", @@ -6747,7 +6747,7 @@ "id": "128", "seqid": 44, "position": { - "x": 137.600006, + "x": 86.000000, "y": -0.000000 }, "alias": "R", @@ -6758,8 +6758,8 @@ "id": "129", "seqid": 44, "position": { - "x": 137.600006, - "y": -1.600000 + "x": 86.000000, + "y": -1.000000 }, "alias": "U", "templateId": "U___Uracil" @@ -6769,7 +6769,7 @@ "id": "130", "seqid": 43, "position": { - "x": 136.000000, + "x": 85.000000, "y": -0.000000 }, "alias": "P", @@ -6780,7 +6780,7 @@ "id": "131", "seqid": 45, "position": { - "x": 140.800003, + "x": 88.000000, "y": -0.000000 }, "alias": "R", @@ -6791,8 +6791,8 @@ "id": "132", "seqid": 45, "position": { - "x": 140.800003, - "y": -1.600000 + "x": 88.000000, + "y": -1.000000 }, "alias": "G", "templateId": "G___Guanine" @@ -6802,7 +6802,7 @@ "id": "133", "seqid": 44, "position": { - "x": 139.199997, + "x": 87.000000, "y": -0.000000 }, "alias": "P", @@ -6813,7 +6813,7 @@ "id": "134", "seqid": 46, "position": { - "x": 144.000000, + "x": 90.000000, "y": -0.000000 }, "alias": "R", @@ -6824,8 +6824,8 @@ "id": "135", "seqid": 46, "position": { - "x": 144.000000, - "y": -1.600000 + "x": 90.000000, + "y": -1.000000 }, "alias": "U", "templateId": "U___Uracil" @@ -6835,7 +6835,7 @@ "id": "136", "seqid": 45, "position": { - "x": 142.399994, + "x": 89.000000, "y": -0.000000 }, "alias": "P", @@ -6846,7 +6846,7 @@ "id": "137", "seqid": 47, "position": { - "x": 147.199997, + "x": 92.000000, "y": -0.000000 }, "alias": "R", @@ -6857,8 +6857,8 @@ "id": "138", "seqid": 47, "position": { - "x": 147.199997, - "y": -1.600000 + "x": 92.000000, + "y": -1.000000 }, "alias": "A", "templateId": "A___Adenine" @@ -6868,7 +6868,7 @@ "id": "139", "seqid": 46, "position": { - "x": 145.599991, + "x": 91.000000, "y": -0.000000 }, "alias": "P", @@ -6879,7 +6879,7 @@ "id": "140", "seqid": 48, "position": { - "x": 150.400009, + "x": 94.000000, "y": -0.000000 }, "alias": "R", @@ -6890,8 +6890,8 @@ "id": "141", "seqid": 48, "position": { - "x": 150.400009, - "y": -1.600000 + "x": 94.000000, + "y": -1.000000 }, "alias": "U", "templateId": "U___Uracil" @@ -6901,7 +6901,7 @@ "id": "142", "seqid": 47, "position": { - "x": 148.800003, + "x": 93.000000, "y": -0.000000 }, "alias": "P", @@ -6912,7 +6912,7 @@ "id": "143", "seqid": 49, "position": { - "x": 153.600006, + "x": 96.000000, "y": -0.000000 }, "alias": "R", @@ -6923,8 +6923,8 @@ "id": "144", "seqid": 49, "position": { - "x": 153.600006, - "y": -1.600000 + "x": 96.000000, + "y": -1.000000 }, "alias": "A", "templateId": "A___Adenine" @@ -6934,7 +6934,7 @@ "id": "145", "seqid": 48, "position": { - "x": 152.000000, + "x": 95.000000, "y": -0.000000 }, "alias": "P", @@ -6945,7 +6945,7 @@ "id": "146", "seqid": 50, "position": { - "x": 156.800003, + "x": 98.000000, "y": -0.000000 }, "alias": "R", @@ -6956,8 +6956,8 @@ "id": "147", "seqid": 50, "position": { - "x": 156.800003, - "y": -1.600000 + "x": 98.000000, + "y": -1.000000 }, "alias": "G", "templateId": "G___Guanine" @@ -6967,7 +6967,7 @@ "id": "148", "seqid": 49, "position": { - "x": 155.199997, + "x": 97.000000, "y": -0.000000 }, "alias": "P", @@ -6978,7 +6978,7 @@ "id": "149", "seqid": 51, "position": { - "x": 160.000000, + "x": 100.000000, "y": -0.000000 }, "alias": "R", @@ -6989,8 +6989,8 @@ "id": "150", "seqid": 51, "position": { - "x": 160.000000, - "y": -1.600000 + "x": 100.000000, + "y": -1.000000 }, "alias": "U", "templateId": "U___Uracil" @@ -7000,7 +7000,7 @@ "id": "151", "seqid": 50, "position": { - "x": 158.399994, + "x": 99.000000, "y": -0.000000 }, "alias": "P", @@ -7011,7 +7011,7 @@ "id": "152", "seqid": 52, "position": { - "x": 163.199997, + "x": 102.000000, "y": -0.000000 }, "alias": "R", @@ -7022,8 +7022,8 @@ "id": "153", "seqid": 52, "position": { - "x": 163.199997, - "y": -1.600000 + "x": 102.000000, + "y": -1.000000 }, "alias": "U", "templateId": "U___Uracil" @@ -7033,7 +7033,7 @@ "id": "154", "seqid": 51, "position": { - "x": 161.599991, + "x": 101.000000, "y": -0.000000 }, "alias": "P", @@ -7044,7 +7044,7 @@ "id": "155", "seqid": 53, "position": { - "x": 166.400009, + "x": 104.000000, "y": -0.000000 }, "alias": "R", @@ -7055,8 +7055,8 @@ "id": "156", "seqid": 53, "position": { - "x": 166.400009, - "y": -1.600000 + "x": 104.000000, + "y": -1.000000 }, "alias": "U", "templateId": "U___Uracil" @@ -7066,7 +7066,7 @@ "id": "157", "seqid": 52, "position": { - "x": 164.800003, + "x": 103.000000, "y": -0.000000 }, "alias": "P", @@ -7077,7 +7077,7 @@ "id": "158", "seqid": 54, "position": { - "x": 169.600006, + "x": 106.000000, "y": -0.000000 }, "alias": "R", @@ -7088,8 +7088,8 @@ "id": "159", "seqid": 54, "position": { - "x": 169.600006, - "y": -1.600000 + "x": 106.000000, + "y": -1.000000 }, "alias": "A", "templateId": "A___Adenine" @@ -7099,7 +7099,7 @@ "id": "160", "seqid": 53, "position": { - "x": 168.000000, + "x": 105.000000, "y": -0.000000 }, "alias": "P", @@ -7110,7 +7110,7 @@ "id": "161", "seqid": 55, "position": { - "x": 172.800003, + "x": 108.000000, "y": -0.000000 }, "alias": "R", @@ -7121,8 +7121,8 @@ "id": "162", "seqid": 55, "position": { - "x": 172.800003, - "y": -1.600000 + "x": 108.000000, + "y": -1.000000 }, "alias": "G", "templateId": "G___Guanine" @@ -7132,7 +7132,7 @@ "id": "163", "seqid": 54, "position": { - "x": 171.199997, + "x": 107.000000, "y": -0.000000 }, "alias": "P", @@ -7143,7 +7143,7 @@ "id": "164", "seqid": 56, "position": { - "x": 176.000000, + "x": 110.000000, "y": -0.000000 }, "alias": "R", @@ -7154,8 +7154,8 @@ "id": "165", "seqid": 56, "position": { - "x": 176.000000, - "y": -1.600000 + "x": 110.000000, + "y": -1.000000 }, "alias": "A", "templateId": "A___Adenine" @@ -7165,7 +7165,7 @@ "id": "166", "seqid": 55, "position": { - "x": 174.399994, + "x": 109.000000, "y": -0.000000 }, "alias": "P", @@ -7176,7 +7176,7 @@ "id": "167", "seqid": 57, "position": { - "x": 179.199997, + "x": 112.000000, "y": -0.000000 }, "alias": "R", @@ -7187,8 +7187,8 @@ "id": "168", "seqid": 57, "position": { - "x": 179.199997, - "y": -1.600000 + "x": 112.000000, + "y": -1.000000 }, "alias": "A", "templateId": "A___Adenine" @@ -7198,7 +7198,7 @@ "id": "169", "seqid": 56, "position": { - "x": 177.599991, + "x": 111.000000, "y": -0.000000 }, "alias": "P", @@ -7209,7 +7209,7 @@ "id": "170", "seqid": 58, "position": { - "x": 182.400009, + "x": 114.000000, "y": -0.000000 }, "alias": "R", @@ -7220,8 +7220,8 @@ "id": "171", "seqid": 58, "position": { - "x": 182.400009, - "y": -1.600000 + "x": 114.000000, + "y": -1.000000 }, "alias": "U", "templateId": "U___Uracil" @@ -7231,7 +7231,7 @@ "id": "172", "seqid": 57, "position": { - "x": 180.800003, + "x": 113.000000, "y": -0.000000 }, "alias": "P", @@ -7242,7 +7242,7 @@ "id": "173", "seqid": 59, "position": { - "x": 185.600006, + "x": 116.000000, "y": -0.000000 }, "alias": "R", @@ -7253,8 +7253,8 @@ "id": "174", "seqid": 59, "position": { - "x": 185.600006, - "y": -1.600000 + "x": 116.000000, + "y": -1.000000 }, "alias": "U", "templateId": "U___Uracil" @@ -7264,7 +7264,7 @@ "id": "175", "seqid": 58, "position": { - "x": 184.000000, + "x": 115.000000, "y": -0.000000 }, "alias": "P", @@ -7275,7 +7275,7 @@ "id": "176", "seqid": 60, "position": { - "x": 188.800003, + "x": 118.000000, "y": -0.000000 }, "alias": "R", @@ -7286,8 +7286,8 @@ "id": "177", "seqid": 60, "position": { - "x": 188.800003, - "y": -1.600000 + "x": 118.000000, + "y": -1.000000 }, "alias": "A", "templateId": "A___Adenine" @@ -7297,7 +7297,7 @@ "id": "178", "seqid": 59, "position": { - "x": 187.199997, + "x": 117.000000, "y": -0.000000 }, "alias": "P", @@ -7308,7 +7308,7 @@ "id": "179", "seqid": 61, "position": { - "x": 192.000000, + "x": 120.000000, "y": -0.000000 }, "alias": "R", @@ -7319,8 +7319,8 @@ "id": "180", "seqid": 61, "position": { - "x": 192.000000, - "y": -1.600000 + "x": 120.000000, + "y": -1.000000 }, "alias": "C", "templateId": "C___Cytosine" @@ -7330,7 +7330,7 @@ "id": "181", "seqid": 60, "position": { - "x": 190.399994, + "x": 119.000000, "y": -0.000000 }, "alias": "P", @@ -7341,7 +7341,7 @@ "id": "182", "seqid": 62, "position": { - "x": 195.199997, + "x": 122.000000, "y": -0.000000 }, "alias": "R", @@ -7352,8 +7352,8 @@ "id": "183", "seqid": 62, "position": { - "x": 195.199997, - "y": -1.600000 + "x": 122.000000, + "y": -1.000000 }, "alias": "A", "templateId": "A___Adenine" @@ -7363,7 +7363,7 @@ "id": "184", "seqid": 61, "position": { - "x": 193.599991, + "x": 121.000000, "y": -0.000000 }, "alias": "P", @@ -7374,7 +7374,7 @@ "id": "185", "seqid": 63, "position": { - "x": 198.400009, + "x": 124.000000, "y": -0.000000 }, "alias": "R", @@ -7385,8 +7385,8 @@ "id": "186", "seqid": 63, "position": { - "x": 198.400009, - "y": -1.600000 + "x": 124.000000, + "y": -1.000000 }, "alias": "U", "templateId": "U___Uracil" @@ -7396,7 +7396,7 @@ "id": "187", "seqid": 62, "position": { - "x": 196.800003, + "x": 123.000000, "y": -0.000000 }, "alias": "P", @@ -7407,7 +7407,7 @@ "id": "188", "seqid": 64, "position": { - "x": 201.600006, + "x": 126.000000, "y": -0.000000 }, "alias": "R", @@ -7418,8 +7418,8 @@ "id": "189", "seqid": 64, "position": { - "x": 201.600006, - "y": -1.600000 + "x": 126.000000, + "y": -1.000000 }, "alias": "C", "templateId": "C___Cytosine" @@ -7429,7 +7429,7 @@ "id": "190", "seqid": 63, "position": { - "x": 200.000000, + "x": 125.000000, "y": -0.000000 }, "alias": "P", @@ -7440,7 +7440,7 @@ "id": "191", "seqid": 65, "position": { - "x": 204.800003, + "x": 128.000000, "y": -0.000000 }, "alias": "R", @@ -7451,8 +7451,8 @@ "id": "192", "seqid": 65, "position": { - "x": 204.800003, - "y": -1.600000 + "x": 128.000000, + "y": -1.000000 }, "alias": "A", "templateId": "A___Adenine" @@ -7462,7 +7462,7 @@ "id": "193", "seqid": 64, "position": { - "x": 203.199997, + "x": 127.000000, "y": -0.000000 }, "alias": "P", @@ -7473,7 +7473,7 @@ "id": "194", "seqid": 66, "position": { - "x": 208.000000, + "x": 130.000000, "y": -0.000000 }, "alias": "R", @@ -7484,8 +7484,8 @@ "id": "195", "seqid": 66, "position": { - "x": 208.000000, - "y": -1.600000 + "x": 130.000000, + "y": -1.000000 }, "alias": "A", "templateId": "A___Adenine" @@ -7495,7 +7495,7 @@ "id": "196", "seqid": 65, "position": { - "x": 206.399994, + "x": 129.000000, "y": -0.000000 }, "alias": "P", @@ -7506,7 +7506,7 @@ "id": "197", "seqid": 67, "position": { - "x": 211.199997, + "x": 132.000000, "y": -0.000000 }, "alias": "R", @@ -7517,8 +7517,8 @@ "id": "198", "seqid": 67, "position": { - "x": 211.199997, - "y": -1.600000 + "x": 132.000000, + "y": -1.000000 }, "alias": "G", "templateId": "G___Guanine" @@ -7528,7 +7528,7 @@ "id": "199", "seqid": 66, "position": { - "x": 209.599991, + "x": 131.000000, "y": -0.000000 }, "alias": "P", @@ -7539,7 +7539,7 @@ "id": "200", "seqid": 68, "position": { - "x": 214.400009, + "x": 134.000000, "y": -0.000000 }, "alias": "R", @@ -7550,8 +7550,8 @@ "id": "201", "seqid": 68, "position": { - "x": 214.400009, - "y": -1.600000 + "x": 134.000000, + "y": -1.000000 }, "alias": "G", "templateId": "G___Guanine" @@ -7561,7 +7561,7 @@ "id": "202", "seqid": 67, "position": { - "x": 212.800003, + "x": 133.000000, "y": -0.000000 }, "alias": "P", @@ -7572,7 +7572,7 @@ "id": "203", "seqid": 69, "position": { - "x": 217.600006, + "x": 136.000000, "y": -0.000000 }, "alias": "R", @@ -7583,8 +7583,8 @@ "id": "204", "seqid": 69, "position": { - "x": 217.600006, - "y": -1.600000 + "x": 136.000000, + "y": -1.000000 }, "alias": "G", "templateId": "G___Guanine" @@ -7594,7 +7594,7 @@ "id": "205", "seqid": 68, "position": { - "x": 216.000000, + "x": 135.000000, "y": -0.000000 }, "alias": "P", @@ -7605,7 +7605,7 @@ "id": "206", "seqid": 70, "position": { - "x": 220.800003, + "x": 138.000000, "y": -0.000000 }, "alias": "R", @@ -7616,8 +7616,8 @@ "id": "207", "seqid": 70, "position": { - "x": 220.800003, - "y": -1.600000 + "x": 138.000000, + "y": -1.000000 }, "alias": "A", "templateId": "A___Adenine" @@ -7627,7 +7627,7 @@ "id": "208", "seqid": 69, "position": { - "x": 219.199997, + "x": 137.000000, "y": -0.000000 }, "alias": "P", @@ -7638,7 +7638,7 @@ "id": "209", "seqid": 71, "position": { - "x": 224.000000, + "x": 140.000000, "y": -0.000000 }, "alias": "R", @@ -7649,8 +7649,8 @@ "id": "210", "seqid": 71, "position": { - "x": 224.000000, - "y": -1.600000 + "x": 140.000000, + "y": -1.000000 }, "alias": "G", "templateId": "G___Guanine" @@ -7660,7 +7660,7 @@ "id": "211", "seqid": 70, "position": { - "x": 222.399994, + "x": 139.000000, "y": -0.000000 }, "alias": "P", @@ -7671,7 +7671,7 @@ "id": "212", "seqid": 72, "position": { - "x": 227.199997, + "x": 142.000000, "y": -0.000000 }, "alias": "R", @@ -7682,8 +7682,8 @@ "id": "213", "seqid": 72, "position": { - "x": 227.199997, - "y": -1.600000 + "x": 142.000000, + "y": -1.000000 }, "alias": "A", "templateId": "A___Adenine" @@ -7693,7 +7693,7 @@ "id": "214", "seqid": 71, "position": { - "x": 225.599991, + "x": 141.000000, "y": -0.000000 }, "alias": "P", @@ -7704,7 +7704,7 @@ "id": "215", "seqid": 73, "position": { - "x": 230.400009, + "x": 144.000000, "y": -0.000000 }, "alias": "R", @@ -7715,8 +7715,8 @@ "id": "216", "seqid": 73, "position": { - "x": 230.400009, - "y": -1.600000 + "x": 144.000000, + "y": -1.000000 }, "alias": "U", "templateId": "U___Uracil" @@ -7726,7 +7726,7 @@ "id": "217", "seqid": 72, "position": { - "x": 228.800003, + "x": 143.000000, "y": -0.000000 }, "alias": "P", @@ -7737,7 +7737,7 @@ "id": "218", "seqid": 74, "position": { - "x": 233.600006, + "x": 146.000000, "y": -0.000000 }, "alias": "R", @@ -7748,8 +7748,8 @@ "id": "219", "seqid": 74, "position": { - "x": 233.600006, - "y": -1.600000 + "x": 146.000000, + "y": -1.000000 }, "alias": "A", "templateId": "A___Adenine" @@ -7759,7 +7759,7 @@ "id": "220", "seqid": 73, "position": { - "x": 232.000000, + "x": 145.000000, "y": -0.000000 }, "alias": "P", @@ -7770,7 +7770,7 @@ "id": "221", "seqid": 75, "position": { - "x": 236.800003, + "x": 148.000000, "y": -0.000000 }, "alias": "R", @@ -7781,8 +7781,8 @@ "id": "222", "seqid": 75, "position": { - "x": 236.800003, - "y": -1.600000 + "x": 148.000000, + "y": -1.000000 }, "alias": "A", "templateId": "A___Adenine" @@ -7792,7 +7792,7 @@ "id": "223", "seqid": 74, "position": { - "x": 235.199997, + "x": 147.000000, "y": -0.000000 }, "alias": "P", @@ -7803,7 +7803,7 @@ "id": "224", "seqid": 76, "position": { - "x": 240.000000, + "x": 150.000000, "y": -0.000000 }, "alias": "R", @@ -7814,8 +7814,8 @@ "id": "225", "seqid": 76, "position": { - "x": 240.000000, - "y": -1.600000 + "x": 150.000000, + "y": -1.000000 }, "alias": "C", "templateId": "C___Cytosine" @@ -7825,7 +7825,7 @@ "id": "226", "seqid": 75, "position": { - "x": 238.399994, + "x": 149.000000, "y": -0.000000 }, "alias": "P", @@ -7836,7 +7836,7 @@ "id": "227", "seqid": 77, "position": { - "x": 243.199997, + "x": 152.000000, "y": -0.000000 }, "alias": "R", @@ -7847,8 +7847,8 @@ "id": "228", "seqid": 77, "position": { - "x": 243.199997, - "y": -1.600000 + "x": 152.000000, + "y": -1.000000 }, "alias": "U", "templateId": "U___Uracil" @@ -7858,7 +7858,7 @@ "id": "229", "seqid": 76, "position": { - "x": 241.599991, + "x": 151.000000, "y": -0.000000 }, "alias": "P", @@ -7869,7 +7869,7 @@ "id": "230", "seqid": 78, "position": { - "x": 246.400009, + "x": 154.000000, "y": -0.000000 }, "alias": "R", @@ -7880,8 +7880,8 @@ "id": "231", "seqid": 78, "position": { - "x": 246.400009, - "y": -1.600000 + "x": 154.000000, + "y": -1.000000 }, "alias": "G", "templateId": "G___Guanine" @@ -7891,7 +7891,7 @@ "id": "232", "seqid": 77, "position": { - "x": 244.800003, + "x": 153.000000, "y": -0.000000 }, "alias": "P", @@ -7902,7 +7902,7 @@ "id": "233", "seqid": 79, "position": { - "x": 249.600006, + "x": 156.000000, "y": -0.000000 }, "alias": "R", @@ -7913,8 +7913,8 @@ "id": "234", "seqid": 79, "position": { - "x": 249.600006, - "y": -1.600000 + "x": 156.000000, + "y": -1.000000 }, "alias": "U", "templateId": "U___Uracil" @@ -7924,7 +7924,7 @@ "id": "235", "seqid": 78, "position": { - "x": 248.000000, + "x": 155.000000, "y": -0.000000 }, "alias": "P", @@ -7935,7 +7935,7 @@ "id": "236", "seqid": 80, "position": { - "x": 252.800003, + "x": 158.000000, "y": -0.000000 }, "alias": "R", @@ -7946,8 +7946,8 @@ "id": "237", "seqid": 80, "position": { - "x": 252.800003, - "y": -1.600000 + "x": 158.000000, + "y": -1.000000 }, "alias": "A", "templateId": "A___Adenine" @@ -7957,7 +7957,7 @@ "id": "238", "seqid": 79, "position": { - "x": 251.199997, + "x": 157.000000, "y": -0.000000 }, "alias": "P", @@ -7968,7 +7968,7 @@ "id": "239", "seqid": 81, "position": { - "x": 256.000000, + "x": 160.000000, "y": -0.000000 }, "alias": "R", @@ -7979,8 +7979,8 @@ "id": "240", "seqid": 81, "position": { - "x": 256.000000, - "y": -1.600000 + "x": 160.000000, + "y": -1.000000 }, "alias": "C", "templateId": "C___Cytosine" @@ -7990,7 +7990,7 @@ "id": "241", "seqid": 80, "position": { - "x": 254.399994, + "x": 159.000000, "y": -0.000000 }, "alias": "P", @@ -8001,7 +8001,7 @@ "id": "242", "seqid": 82, "position": { - "x": 259.200012, + "x": 162.000000, "y": -0.000000 }, "alias": "R", @@ -8012,8 +8012,8 @@ "id": "243", "seqid": 82, "position": { - "x": 259.200012, - "y": -1.600000 + "x": 162.000000, + "y": -1.000000 }, "alias": "A", "templateId": "A___Adenine" @@ -8023,7 +8023,7 @@ "id": "244", "seqid": 81, "position": { - "x": 257.600006, + "x": 161.000000, "y": -0.000000 }, "alias": "P", @@ -8034,7 +8034,7 @@ "id": "245", "seqid": 83, "position": { - "x": 262.399994, + "x": 164.000000, "y": -0.000000 }, "alias": "R", @@ -8045,8 +8045,8 @@ "id": "246", "seqid": 83, "position": { - "x": 262.399994, - "y": -1.600000 + "x": 164.000000, + "y": -1.000000 }, "alias": "G", "templateId": "G___Guanine" @@ -8056,7 +8056,7 @@ "id": "247", "seqid": 82, "position": { - "x": 260.799988, + "x": 163.000000, "y": -0.000000 }, "alias": "P", @@ -8067,7 +8067,7 @@ "id": "248", "seqid": 84, "position": { - "x": 265.600006, + "x": 166.000000, "y": -0.000000 }, "alias": "R", @@ -8078,8 +8078,8 @@ "id": "249", "seqid": 84, "position": { - "x": 265.600006, - "y": -1.600000 + "x": 166.000000, + "y": -1.000000 }, "alias": "C", "templateId": "C___Cytosine" @@ -8089,7 +8089,7 @@ "id": "250", "seqid": 83, "position": { - "x": 264.000000, + "x": 165.000000, "y": -0.000000 }, "alias": "P", @@ -8100,7 +8100,7 @@ "id": "251", "seqid": 85, "position": { - "x": 268.800018, + "x": 168.000000, "y": -0.000000 }, "alias": "R", @@ -8111,8 +8111,8 @@ "id": "252", "seqid": 85, "position": { - "x": 268.800018, - "y": -1.600000 + "x": 168.000000, + "y": -1.000000 }, "alias": "C", "templateId": "C___Cytosine" @@ -8122,7 +8122,7 @@ "id": "253", "seqid": 84, "position": { - "x": 267.200012, + "x": 167.000000, "y": -0.000000 }, "alias": "P", @@ -8133,7 +8133,7 @@ "id": "254", "seqid": 86, "position": { - "x": 272.000000, + "x": 170.000000, "y": -0.000000 }, "alias": "R", @@ -8144,8 +8144,8 @@ "id": "255", "seqid": 86, "position": { - "x": 272.000000, - "y": -1.600000 + "x": 170.000000, + "y": -1.000000 }, "alias": "U", "templateId": "U___Uracil" @@ -8155,7 +8155,7 @@ "id": "256", "seqid": 85, "position": { - "x": 270.399994, + "x": 169.000000, "y": -0.000000 }, "alias": "P", @@ -8166,7 +8166,7 @@ "id": "257", "seqid": 87, "position": { - "x": 275.200012, + "x": 172.000000, "y": -0.000000 }, "alias": "R", @@ -8177,8 +8177,8 @@ "id": "258", "seqid": 87, "position": { - "x": 275.200012, - "y": -1.600000 + "x": 172.000000, + "y": -1.000000 }, "alias": "C", "templateId": "C___Cytosine" @@ -8188,7 +8188,7 @@ "id": "259", "seqid": 86, "position": { - "x": 273.600006, + "x": 171.000000, "y": -0.000000 }, "alias": "P", @@ -8199,7 +8199,7 @@ "id": "260", "seqid": 88, "position": { - "x": 278.399994, + "x": 174.000000, "y": -0.000000 }, "alias": "R", @@ -8210,8 +8210,8 @@ "id": "261", "seqid": 88, "position": { - "x": 278.399994, - "y": -1.600000 + "x": 174.000000, + "y": -1.000000 }, "alias": "C", "templateId": "C___Cytosine" @@ -8221,7 +8221,7 @@ "id": "262", "seqid": 87, "position": { - "x": 276.799988, + "x": 173.000000, "y": -0.000000 }, "alias": "P", @@ -8232,7 +8232,7 @@ "id": "263", "seqid": 89, "position": { - "x": 281.600006, + "x": 176.000000, "y": -0.000000 }, "alias": "R", @@ -8243,8 +8243,8 @@ "id": "264", "seqid": 89, "position": { - "x": 281.600006, - "y": -1.600000 + "x": 176.000000, + "y": -1.000000 }, "alias": "U", "templateId": "U___Uracil" @@ -8254,7 +8254,7 @@ "id": "265", "seqid": 88, "position": { - "x": 280.000000, + "x": 175.000000, "y": -0.000000 }, "alias": "P", @@ -8265,7 +8265,7 @@ "id": "266", "seqid": 90, "position": { - "x": 284.800018, + "x": 178.000000, "y": -0.000000 }, "alias": "R", @@ -8276,8 +8276,8 @@ "id": "267", "seqid": 90, "position": { - "x": 284.800018, - "y": -1.600000 + "x": 178.000000, + "y": -1.000000 }, "alias": "A", "templateId": "A___Adenine" @@ -8287,7 +8287,7 @@ "id": "268", "seqid": 89, "position": { - "x": 283.200012, + "x": 177.000000, "y": -0.000000 }, "alias": "P", @@ -8298,7 +8298,7 @@ "id": "269", "seqid": 91, "position": { - "x": 288.000000, + "x": 180.000000, "y": -0.000000 }, "alias": "R", @@ -8309,8 +8309,8 @@ "id": "270", "seqid": 91, "position": { - "x": 288.000000, - "y": -1.600000 + "x": 180.000000, + "y": -1.000000 }, "alias": "G", "templateId": "G___Guanine" @@ -8320,7 +8320,7 @@ "id": "271", "seqid": 90, "position": { - "x": 286.399994, + "x": 179.000000, "y": -0.000000 }, "alias": "P", @@ -8331,7 +8331,7 @@ "id": "272", "seqid": 92, "position": { - "x": 291.200012, + "x": 182.000000, "y": -0.000000 }, "alias": "R", @@ -8342,8 +8342,8 @@ "id": "273", "seqid": 92, "position": { - "x": 291.200012, - "y": -1.600000 + "x": 182.000000, + "y": -1.000000 }, "alias": "C", "templateId": "C___Cytosine" @@ -8353,7 +8353,7 @@ "id": "274", "seqid": 91, "position": { - "x": 289.600006, + "x": 181.000000, "y": -0.000000 }, "alias": "P", @@ -8364,7 +8364,7 @@ "id": "275", "seqid": 93, "position": { - "x": 294.399994, + "x": 184.000000, "y": -0.000000 }, "alias": "R", @@ -8375,8 +8375,8 @@ "id": "276", "seqid": 93, "position": { - "x": 294.399994, - "y": -1.600000 + "x": 184.000000, + "y": -1.000000 }, "alias": "U", "templateId": "U___Uracil" @@ -8386,7 +8386,7 @@ "id": "277", "seqid": 92, "position": { - "x": 292.799988, + "x": 183.000000, "y": -0.000000 }, "alias": "P", @@ -8397,7 +8397,7 @@ "id": "278", "seqid": 94, "position": { - "x": 297.600006, + "x": 186.000000, "y": -0.000000 }, "alias": "R", @@ -8408,8 +8408,8 @@ "id": "279", "seqid": 94, "position": { - "x": 297.600006, - "y": -1.600000 + "x": 186.000000, + "y": -1.000000 }, "alias": "U", "templateId": "U___Uracil" @@ -8419,7 +8419,7 @@ "id": "280", "seqid": 93, "position": { - "x": 296.000000, + "x": 185.000000, "y": -0.000000 }, "alias": "P", @@ -8430,7 +8430,7 @@ "id": "281", "seqid": 95, "position": { - "x": 300.800018, + "x": 188.000000, "y": -0.000000 }, "alias": "R", @@ -8441,8 +8441,8 @@ "id": "282", "seqid": 95, "position": { - "x": 300.800018, - "y": -1.600000 + "x": 188.000000, + "y": -1.000000 }, "alias": "U", "templateId": "U___Uracil" @@ -8452,7 +8452,7 @@ "id": "283", "seqid": 94, "position": { - "x": 299.200012, + "x": 187.000000, "y": -0.000000 }, "alias": "P", @@ -8463,7 +8463,7 @@ "id": "284", "seqid": 96, "position": { - "x": 304.000000, + "x": 190.000000, "y": -0.000000 }, "alias": "R", @@ -8474,8 +8474,8 @@ "id": "285", "seqid": 96, "position": { - "x": 304.000000, - "y": -1.600000 + "x": 190.000000, + "y": -1.000000 }, "alias": "C", "templateId": "C___Cytosine" @@ -8485,7 +8485,7 @@ "id": "286", "seqid": 95, "position": { - "x": 302.399994, + "x": 189.000000, "y": -0.000000 }, "alias": "P", @@ -8496,7 +8496,7 @@ "id": "287", "seqid": 97, "position": { - "x": 307.200012, + "x": 192.000000, "y": -0.000000 }, "alias": "R", @@ -8507,8 +8507,8 @@ "id": "288", "seqid": 97, "position": { - "x": 307.200012, - "y": -1.600000 + "x": 192.000000, + "y": -1.000000 }, "alias": "C", "templateId": "C___Cytosine" @@ -8518,7 +8518,7 @@ "id": "289", "seqid": 96, "position": { - "x": 305.600006, + "x": 191.000000, "y": -0.000000 }, "alias": "P", @@ -8529,7 +8529,7 @@ "id": "290", "seqid": 98, "position": { - "x": 310.399994, + "x": 194.000000, "y": -0.000000 }, "alias": "R", @@ -8540,8 +8540,8 @@ "id": "291", "seqid": 98, "position": { - "x": 310.399994, - "y": -1.600000 + "x": 194.000000, + "y": -1.000000 }, "alias": "U", "templateId": "U___Uracil" @@ -8551,7 +8551,7 @@ "id": "292", "seqid": 97, "position": { - "x": 308.799988, + "x": 193.000000, "y": -0.000000 }, "alias": "P", @@ -8562,7 +8562,7 @@ "id": "293", "seqid": 99, "position": { - "x": 313.600006, + "x": 196.000000, "y": -0.000000 }, "alias": "R", @@ -8573,8 +8573,8 @@ "id": "294", "seqid": 99, "position": { - "x": 313.600006, - "y": -1.600000 + "x": 196.000000, + "y": -1.000000 }, "alias": "U", "templateId": "U___Uracil" @@ -8584,7 +8584,7 @@ "id": "295", "seqid": 98, "position": { - "x": 312.000000, + "x": 195.000000, "y": -0.000000 }, "alias": "P", @@ -8595,7 +8595,7 @@ "id": "296", "seqid": 100, "position": { - "x": 316.800018, + "x": 198.000000, "y": -0.000000 }, "alias": "R", @@ -8606,8 +8606,8 @@ "id": "297", "seqid": 100, "position": { - "x": 316.800018, - "y": -1.600000 + "x": 198.000000, + "y": -1.000000 }, "alias": "G", "templateId": "G___Guanine" @@ -8617,7 +8617,7 @@ "id": "298", "seqid": 99, "position": { - "x": 315.200012, + "x": 197.000000, "y": -0.000000 }, "alias": "P", @@ -8628,7 +8628,7 @@ "id": "299", "seqid": 101, "position": { - "x": 320.000000, + "x": 200.000000, "y": -0.000000 }, "alias": "R", @@ -8639,8 +8639,8 @@ "id": "300", "seqid": 101, "position": { - "x": 320.000000, - "y": -1.600000 + "x": 200.000000, + "y": -1.000000 }, "alias": "G", "templateId": "G___Guanine" @@ -8650,7 +8650,7 @@ "id": "301", "seqid": 100, "position": { - "x": 318.399994, + "x": 199.000000, "y": -0.000000 }, "alias": "P", @@ -8661,7 +8661,7 @@ "id": "302", "seqid": 102, "position": { - "x": 323.200012, + "x": 202.000000, "y": -0.000000 }, "alias": "R", @@ -8672,8 +8672,8 @@ "id": "303", "seqid": 102, "position": { - "x": 323.200012, - "y": -1.600000 + "x": 202.000000, + "y": -1.000000 }, "alias": "G", "templateId": "G___Guanine" @@ -8683,7 +8683,7 @@ "id": "304", "seqid": 101, "position": { - "x": 321.600006, + "x": 201.000000, "y": -0.000000 }, "alias": "P", @@ -8694,7 +8694,7 @@ "id": "305", "seqid": 103, "position": { - "x": 326.399994, + "x": 204.000000, "y": -0.000000 }, "alias": "R", @@ -8705,8 +8705,8 @@ "id": "306", "seqid": 103, "position": { - "x": 326.399994, - "y": -1.600000 + "x": 204.000000, + "y": -1.000000 }, "alias": "U", "templateId": "U___Uracil" @@ -8716,7 +8716,7 @@ "id": "307", "seqid": 102, "position": { - "x": 324.799988, + "x": 203.000000, "y": -0.000000 }, "alias": "P", @@ -8727,7 +8727,7 @@ "id": "308", "seqid": 104, "position": { - "x": 329.600006, + "x": 206.000000, "y": -0.000000 }, "alias": "R", @@ -8738,8 +8738,8 @@ "id": "309", "seqid": 104, "position": { - "x": 329.600006, - "y": -1.600000 + "x": 206.000000, + "y": -1.000000 }, "alias": "C", "templateId": "C___Cytosine" @@ -8749,7 +8749,7 @@ "id": "310", "seqid": 103, "position": { - "x": 328.000000, + "x": 205.000000, "y": -0.000000 }, "alias": "P", @@ -8760,7 +8760,7 @@ "id": "311", "seqid": 105, "position": { - "x": 332.800018, + "x": 208.000000, "y": -0.000000 }, "alias": "R", @@ -8771,8 +8771,8 @@ "id": "312", "seqid": 105, "position": { - "x": 332.800018, - "y": -1.600000 + "x": 208.000000, + "y": -1.000000 }, "alias": "U", "templateId": "U___Uracil" @@ -8782,7 +8782,7 @@ "id": "313", "seqid": 104, "position": { - "x": 331.200012, + "x": 207.000000, "y": -0.000000 }, "alias": "P", @@ -8793,7 +8793,7 @@ "id": "314", "seqid": 106, "position": { - "x": 336.000000, + "x": 210.000000, "y": -0.000000 }, "alias": "R", @@ -8804,8 +8804,8 @@ "id": "315", "seqid": 106, "position": { - "x": 336.000000, - "y": -1.600000 + "x": 210.000000, + "y": -1.000000 }, "alias": "U", "templateId": "U___Uracil" @@ -8815,7 +8815,7 @@ "id": "316", "seqid": 105, "position": { - "x": 334.399994, + "x": 209.000000, "y": -0.000000 }, "alias": "P", @@ -8826,7 +8826,7 @@ "id": "317", "seqid": 107, "position": { - "x": 339.200012, + "x": 212.000000, "y": -0.000000 }, "alias": "R", @@ -8837,8 +8837,8 @@ "id": "318", "seqid": 107, "position": { - "x": 339.200012, - "y": -1.600000 + "x": 212.000000, + "y": -1.000000 }, "alias": "G", "templateId": "G___Guanine" @@ -8848,7 +8848,7 @@ "id": "319", "seqid": 106, "position": { - "x": 337.600006, + "x": 211.000000, "y": -0.000000 }, "alias": "P", @@ -8859,7 +8859,7 @@ "id": "320", "seqid": 108, "position": { - "x": 342.399994, + "x": 214.000000, "y": -0.000000 }, "alias": "R", @@ -8870,8 +8870,8 @@ "id": "321", "seqid": 108, "position": { - "x": 342.399994, - "y": -1.600000 + "x": 214.000000, + "y": -1.000000 }, "alias": "C", "templateId": "C___Cytosine" @@ -8881,7 +8881,7 @@ "id": "322", "seqid": 107, "position": { - "x": 340.799988, + "x": 213.000000, "y": -0.000000 }, "alias": "P", @@ -8892,7 +8892,7 @@ "id": "323", "seqid": 109, "position": { - "x": 345.600006, + "x": 216.000000, "y": -0.000000 }, "alias": "R", @@ -8903,8 +8903,8 @@ "id": "324", "seqid": 109, "position": { - "x": 345.600006, - "y": -1.600000 + "x": 216.000000, + "y": -1.000000 }, "alias": "A", "templateId": "A___Adenine" @@ -8914,7 +8914,7 @@ "id": "325", "seqid": 108, "position": { - "x": 344.000000, + "x": 215.000000, "y": -0.000000 }, "alias": "P", @@ -8925,7 +8925,7 @@ "id": "326", "seqid": 110, "position": { - "x": 348.800018, + "x": 218.000000, "y": -0.000000 }, "alias": "R", @@ -8936,8 +8936,8 @@ "id": "327", "seqid": 110, "position": { - "x": 348.800018, - "y": -1.600000 + "x": 218.000000, + "y": -1.000000 }, "alias": "C", "templateId": "C___Cytosine" @@ -8947,7 +8947,7 @@ "id": "328", "seqid": 109, "position": { - "x": 347.200012, + "x": 217.000000, "y": -0.000000 }, "alias": "P", @@ -8958,7 +8958,7 @@ "id": "329", "seqid": 111, "position": { - "x": 352.000000, + "x": 220.000000, "y": -0.000000 }, "alias": "R", @@ -8969,8 +8969,8 @@ "id": "330", "seqid": 111, "position": { - "x": 352.000000, - "y": -1.600000 + "x": 220.000000, + "y": -1.000000 }, "alias": "A", "templateId": "A___Adenine" @@ -8980,7 +8980,7 @@ "id": "331", "seqid": 110, "position": { - "x": 350.399994, + "x": 219.000000, "y": -0.000000 }, "alias": "P", @@ -8991,7 +8991,7 @@ "id": "332", "seqid": 112, "position": { - "x": 355.200012, + "x": 222.000000, "y": -0.000000 }, "alias": "R", @@ -9002,8 +9002,8 @@ "id": "333", "seqid": 112, "position": { - "x": 355.200012, - "y": -1.600000 + "x": 222.000000, + "y": -1.000000 }, "alias": "A", "templateId": "A___Adenine" @@ -9013,7 +9013,7 @@ "id": "334", "seqid": 111, "position": { - "x": 353.600006, + "x": 221.000000, "y": -0.000000 }, "alias": "P", @@ -9024,7 +9024,7 @@ "id": "335", "seqid": 113, "position": { - "x": 358.399994, + "x": 224.000000, "y": -0.000000 }, "alias": "R", @@ -9035,8 +9035,8 @@ "id": "336", "seqid": 113, "position": { - "x": 358.399994, - "y": -1.600000 + "x": 224.000000, + "y": -1.000000 }, "alias": "A", "templateId": "A___Adenine" @@ -9046,7 +9046,7 @@ "id": "337", "seqid": 112, "position": { - "x": 356.799988, + "x": 223.000000, "y": -0.000000 }, "alias": "P", @@ -9057,7 +9057,7 @@ "id": "338", "seqid": 114, "position": { - "x": 361.600006, + "x": 226.000000, "y": -0.000000 }, "alias": "R", @@ -9068,8 +9068,8 @@ "id": "339", "seqid": 114, "position": { - "x": 361.600006, - "y": -1.600000 + "x": 226.000000, + "y": -1.000000 }, "alias": "G", "templateId": "G___Guanine" @@ -9079,7 +9079,7 @@ "id": "340", "seqid": 113, "position": { - "x": 360.000000, + "x": 225.000000, "y": -0.000000 }, "alias": "P", @@ -9090,7 +9090,7 @@ "id": "341", "seqid": 115, "position": { - "x": 364.800018, + "x": 228.000000, "y": -0.000000 }, "alias": "R", @@ -9101,8 +9101,8 @@ "id": "342", "seqid": 115, "position": { - "x": 364.800018, - "y": -1.600000 + "x": 228.000000, + "y": -1.000000 }, "alias": "C", "templateId": "C___Cytosine" @@ -9112,7 +9112,7 @@ "id": "343", "seqid": 114, "position": { - "x": 363.200012, + "x": 227.000000, "y": -0.000000 }, "alias": "P", @@ -9123,7 +9123,7 @@ "id": "344", "seqid": 116, "position": { - "x": 368.000000, + "x": 230.000000, "y": -0.000000 }, "alias": "R", @@ -9134,8 +9134,8 @@ "id": "345", "seqid": 116, "position": { - "x": 368.000000, - "y": -1.600000 + "x": 230.000000, + "y": -1.000000 }, "alias": "A", "templateId": "A___Adenine" @@ -9145,7 +9145,7 @@ "id": "346", "seqid": 115, "position": { - "x": 366.399994, + "x": 229.000000, "y": -0.000000 }, "alias": "P", @@ -9156,7 +9156,7 @@ "id": "347", "seqid": 117, "position": { - "x": 371.200012, + "x": 232.000000, "y": -0.000000 }, "alias": "R", @@ -9167,8 +9167,8 @@ "id": "348", "seqid": 117, "position": { - "x": 371.200012, - "y": -1.600000 + "x": 232.000000, + "y": -1.000000 }, "alias": "A", "templateId": "A___Adenine" @@ -9178,7 +9178,7 @@ "id": "349", "seqid": 116, "position": { - "x": 369.600006, + "x": 231.000000, "y": -0.000000 }, "alias": "P", @@ -9189,7 +9189,7 @@ "id": "350", "seqid": 118, "position": { - "x": 374.399994, + "x": 234.000000, "y": -0.000000 }, "alias": "R", @@ -9200,8 +9200,8 @@ "id": "351", "seqid": 118, "position": { - "x": 374.399994, - "y": -1.600000 + "x": 234.000000, + "y": -1.000000 }, "alias": "C", "templateId": "C___Cytosine" @@ -9211,7 +9211,7 @@ "id": "352", "seqid": 117, "position": { - "x": 372.799988, + "x": 233.000000, "y": -0.000000 }, "alias": "P", @@ -9222,7 +9222,7 @@ "id": "353", "seqid": 119, "position": { - "x": 377.600006, + "x": 236.000000, "y": -0.000000 }, "alias": "R", @@ -9233,8 +9233,8 @@ "id": "354", "seqid": 119, "position": { - "x": 377.600006, - "y": -1.600000 + "x": 236.000000, + "y": -1.000000 }, "alias": "A", "templateId": "A___Adenine" @@ -9244,7 +9244,7 @@ "id": "355", "seqid": 118, "position": { - "x": 376.000000, + "x": 235.000000, "y": -0.000000 }, "alias": "P", @@ -9255,7 +9255,7 @@ "id": "356", "seqid": 120, "position": { - "x": 380.800018, + "x": 238.000000, "y": -0.000000 }, "alias": "R", @@ -9266,8 +9266,8 @@ "id": "357", "seqid": 120, "position": { - "x": 380.800018, - "y": -1.600000 + "x": 238.000000, + "y": -1.000000 }, "alias": "U", "templateId": "U___Uracil" @@ -9277,7 +9277,7 @@ "id": "358", "seqid": 119, "position": { - "x": 379.200012, + "x": 237.000000, "y": -0.000000 }, "alias": "P", @@ -9288,7 +9288,7 @@ "id": "359", "seqid": 121, "position": { - "x": 384.000000, + "x": 240.000000, "y": -0.000000 }, "alias": "R", @@ -9299,8 +9299,8 @@ "id": "360", "seqid": 121, "position": { - "x": 384.000000, - "y": -1.600000 + "x": 240.000000, + "y": -1.000000 }, "alias": "G", "templateId": "G___Guanine" @@ -9310,7 +9310,7 @@ "id": "361", "seqid": 120, "position": { - "x": 382.399994, + "x": 239.000000, "y": -0.000000 }, "alias": "P", @@ -9321,7 +9321,7 @@ "id": "362", "seqid": 122, "position": { - "x": 387.200012, + "x": 242.000000, "y": -0.000000 }, "alias": "R", @@ -9332,8 +9332,8 @@ "id": "363", "seqid": 122, "position": { - "x": 387.200012, - "y": -1.600000 + "x": 242.000000, + "y": -1.000000 }, "alias": "G", "templateId": "G___Guanine" @@ -9343,7 +9343,7 @@ "id": "364", "seqid": 121, "position": { - "x": 385.600006, + "x": 241.000000, "y": -0.000000 }, "alias": "P", @@ -9354,7 +9354,7 @@ "id": "365", "seqid": 123, "position": { - "x": 390.399994, + "x": 244.000000, "y": -0.000000 }, "alias": "R", @@ -9365,8 +9365,8 @@ "id": "366", "seqid": 123, "position": { - "x": 390.399994, - "y": -1.600000 + "x": 244.000000, + "y": -1.000000 }, "alias": "C", "templateId": "C___Cytosine" @@ -9376,7 +9376,7 @@ "id": "367", "seqid": 122, "position": { - "x": 388.799988, + "x": 243.000000, "y": -0.000000 }, "alias": "P", @@ -9387,7 +9387,7 @@ "id": "368", "seqid": 124, "position": { - "x": 393.600006, + "x": 246.000000, "y": -0.000000 }, "alias": "R", @@ -9398,8 +9398,8 @@ "id": "369", "seqid": 124, "position": { - "x": 393.600006, - "y": -1.600000 + "x": 246.000000, + "y": -1.000000 }, "alias": "G", "templateId": "G___Guanine" @@ -9409,7 +9409,7 @@ "id": "370", "seqid": 123, "position": { - "x": 392.000000, + "x": 245.000000, "y": -0.000000 }, "alias": "P", @@ -9420,7 +9420,7 @@ "id": "371", "seqid": 125, "position": { - "x": 396.800018, + "x": 248.000000, "y": -0.000000 }, "alias": "R", @@ -9431,8 +9431,8 @@ "id": "372", "seqid": 125, "position": { - "x": 396.800018, - "y": -1.600000 + "x": 248.000000, + "y": -1.000000 }, "alias": "A", "templateId": "A___Adenine" @@ -9442,7 +9442,7 @@ "id": "373", "seqid": 124, "position": { - "x": 395.200012, + "x": 247.000000, "y": -0.000000 }, "alias": "P", @@ -9453,7 +9453,7 @@ "id": "374", "seqid": 126, "position": { - "x": 400.000000, + "x": 250.000000, "y": -0.000000 }, "alias": "R", @@ -9464,8 +9464,8 @@ "id": "375", "seqid": 126, "position": { - "x": 400.000000, - "y": -1.600000 + "x": 250.000000, + "y": -1.000000 }, "alias": "G", "templateId": "G___Guanine" @@ -9475,7 +9475,7 @@ "id": "376", "seqid": 125, "position": { - "x": 398.399994, + "x": 249.000000, "y": -0.000000 }, "alias": "P", @@ -9486,7 +9486,7 @@ "id": "377", "seqid": 127, "position": { - "x": 403.200012, + "x": 252.000000, "y": -0.000000 }, "alias": "R", @@ -9497,8 +9497,8 @@ "id": "378", "seqid": 127, "position": { - "x": 403.200012, - "y": -1.600000 + "x": 252.000000, + "y": -1.000000 }, "alias": "A", "templateId": "A___Adenine" @@ -9508,7 +9508,7 @@ "id": "379", "seqid": 126, "position": { - "x": 401.600006, + "x": 251.000000, "y": -0.000000 }, "alias": "P", diff --git a/api/tests/integration/tests/layout/ref/932-agents.ket b/api/tests/integration/tests/layout/ref/932-agents.ket index 3fa3fa661f..7d6d41d2ec 100644 --- a/api/tests/integration/tests/layout/ref/932-agents.ket +++ b/api/tests/integration/tests/layout/ref/932-agents.ket @@ -43,7 +43,7 @@ { "type": "plus", "location": [ - 4.4, + 2.75, 0.0, 0.0 ] @@ -51,7 +51,7 @@ { "type": "plus", "location": [ - 8.400001, + 5.25, 0.0, 0.0 ] @@ -59,7 +59,7 @@ { "type": "plus", "location": [ - 41.942543, + 26.214102, 0.0, 0.0 ] @@ -67,7 +67,7 @@ { "type": "plus", "location": [ - 49.805283, + 31.128315, 0.0, 0.0 ] @@ -78,12 +78,12 @@ "mode": "open-angle", "pos": [ { - "x": 13.6, + "x": 8.5, "y": 0.0, "z": 0.0 }, { - "x": 38.342548, + "x": 23.964102, "y": 0.0, "z": 0.0 } @@ -98,24 +98,24 @@ { "label": "C", "location": [ - 0.8, - 0.69282, + 0.5, + 0.433013, 0.0 ] }, { "label": "C", "location": [ - 2.4, - 0.69282, + 1.5, + 0.433013, 0.0 ] }, { "label": "C", "location": [ - 1.6, - -0.69282, + 1.0, + -0.433013, 0.0 ] } @@ -150,7 +150,7 @@ { "label": "S", "location": [ - 6.4, + 4.0, 0.0, 0.0 ] @@ -164,32 +164,32 @@ { "label": "C", "location": [ - 10.400001, - 0.8, + 6.5, + 0.5, 0.0 ] }, { "label": "C", "location": [ - 12.0, - 0.8, + 7.5, + 0.5, 0.0 ] }, { "label": "C", "location": [ - 12.0, - -0.8, + 7.5, + -0.5, 0.0 ] }, { "label": "C", "location": [ - 10.400001, - -0.8, + 6.5, + -0.5, 0.0 ] } @@ -231,24 +231,24 @@ { "label": "C", "location": [ - 15.200001, - 2.69282, + 9.5, + 1.683013, 0.0 ] }, { "label": "C", "location": [ - 16.585642, - 1.89282, + 10.366025, + 1.183013, 0.0 ] }, { "label": "C", "location": [ - 17.971281, - 2.69282, + 11.232051, + 1.683013, 0.0 ] } @@ -276,8 +276,8 @@ { "label": "C", "location": [ - 20.371279, - 2.29282, + 12.732051, + 1.433013, 0.0 ] } @@ -290,8 +290,8 @@ { "label": "P", "location": [ - 22.771276, - 2.29282, + 14.232051, + 1.433013, 0.0 ] } @@ -304,24 +304,24 @@ { "label": "C", "location": [ - 25.171274, - 2.69282, + 15.732051, + 1.683013, 0.0 ] }, { "label": "C", "location": [ - 26.556915, - 1.89282, + 16.598076, + 1.183013, 0.0 ] }, { "label": "C", "location": [ - 27.942554, - 2.69282, + 17.464102, + 1.683013, 0.0 ] } @@ -349,24 +349,24 @@ { "label": "C", "location": [ - 30.342552, - 2.985641, + 18.964102, + 1.866025, 0.0 ] }, { "label": "C", "location": [ - 31.942553, - 2.985641, + 19.964102, + 1.866025, 0.0 ] }, { "label": "C", "location": [ - 31.142551, - 1.6, + 19.464102, + 1.0, 0.0 ] } @@ -401,8 +401,8 @@ { "label": "F", "location": [ - 34.342552, - 2.29282, + 21.464102, + 1.433013, 0.0 ] } @@ -415,8 +415,8 @@ { "label": "I", "location": [ - 36.74255, - 2.29282, + 22.964102, + 1.433013, 0.0 ] } @@ -429,7 +429,7 @@ { "label": "S", "location": [ - 39.942547, + 24.964102, 0.0, 0.0 ] @@ -443,64 +443,64 @@ { "label": "C", "location": [ - 46.673912, - 1.931371, + 29.171209, + 1.207107, 0.0 ] }, { "label": "C", "location": [ - 45.073914, - 1.931371, + 28.171209, + 1.207107, 0.0 ] }, { "label": "C", "location": [ - 43.942543, - 0.8, + 27.464102, + 0.5, 0.0 ] }, { "label": "C", "location": [ - 43.942543, - -0.8, + 27.464102, + -0.5, 0.0 ] }, { "label": "C", "location": [ - 45.073914, - -1.931371, + 28.171209, + -1.207107, 0.0 ] }, { "label": "C", "location": [ - 46.673912, - -1.931371, + 29.171209, + -1.207107, 0.0 ] }, { "label": "C", "location": [ - 47.805283, - -0.8, + 29.878315, + -0.5, 0.0 ] }, { "label": "C", "location": [ - 47.805283, - 0.8, + 29.878315, + 0.5, 0.0 ] } @@ -570,7 +570,7 @@ { "label": "O", "location": [ - 51.805279, + 32.378315, 0.0, 0.0 ] diff --git a/api/tests/integration/tests/layout/ref/acs_after_layout_default_margin.ket b/api/tests/integration/tests/layout/ref/acs_after_layout_default_margin.ket index 25db5ab4b4..c3d11aaae5 100644 --- a/api/tests/integration/tests/layout/ref/acs_after_layout_default_margin.ket +++ b/api/tests/integration/tests/layout/ref/acs_after_layout_default_margin.ket @@ -19,7 +19,7 @@ { "type": "plus", "location": [ - 5.571281, + 3.482051, 0.0, 0.0 ] @@ -27,7 +27,7 @@ { "type": "plus", "location": [ - 30.651571, + 19.157232, 0.0, 0.0 ] @@ -38,12 +38,12 @@ "mode": "open-angle", "pos": [ { - "x": 13.328203, + "x": 8.330127, "y": 0.0, "z": 0.0 }, { - "x": 20.123369, + "x": 12.577106, "y": 0.0, "z": 0.0 } @@ -58,32 +58,32 @@ { "label": "C", "location": [ - 2.185641, - -1.2, + 1.366025, + -0.75, 0.0 ] }, { "label": "C", "location": [ - 2.185641, - 0.4, + 1.366025, + 0.25, 0.0 ] }, { "label": "O", "location": [ - 0.8, - 1.2, + 0.5, + 0.75, 0.0 ] }, { "label": "O", "location": [ - 3.571281, - 1.2, + 2.232051, + 0.75, 0.0 ] } @@ -118,32 +118,32 @@ { "label": "O", "location": [ - 7.571282, - -0.4, + 4.732051, + -0.25, 0.0 ] }, { "label": "C", "location": [ - 8.956923, - 0.4, + 5.598076, + 0.25, 0.0 ] }, { "label": "C", "location": [ - 10.342563, - -0.4, + 6.464101, + -0.25, 0.0 ] }, { "label": "C", "location": [ - 11.728203, - 0.4, + 7.330127, + 0.25, 0.0 ] } @@ -178,56 +178,56 @@ { "label": "C", "location": [ - 21.72337, - -1.2, + 13.577106, + -0.75, 0.0 ] }, { "label": "C", "location": [ - 23.109011, - -0.4, + 14.443131, + -0.25, 0.0 ] }, { "label": "O", "location": [ - 24.49465, - -1.2, + 15.309156, + -0.75, 0.0 ] }, { "label": "C", "location": [ - 25.880291, - -0.4, + 16.175182, + -0.25, 0.0 ] }, { "label": "C", "location": [ - 27.265932, - -1.2, + 17.041206, + -0.75, 0.0 ] }, { "label": "C", "location": [ - 28.651573, - -0.4, + 17.907232, + -0.25, 0.0 ] }, { "label": "O", "location": [ - 23.109011, - 1.2, + 14.443131, + 0.75, 0.0 ] } @@ -283,7 +283,7 @@ { "label": "O", "location": [ - 32.651569, + 20.407232, 0.0, 0.0 ] @@ -297,56 +297,56 @@ { "label": "N", "location": [ - 17.525787, - 5.10503, + 10.953616, + 3.190643, 0.0 ] }, { "label": "N", "location": [ - 15.925788, - 5.10503, + 9.953617, + 3.190643, 0.0 ] }, { "label": "C", "location": [ - 14.928204, - 3.8541, + 9.330127, + 2.408812, 0.0 ] }, { "label": "C", "location": [ - 15.284236, - 2.294215, + 9.552648, + 1.433884, 0.0 ] }, { "label": "C", "location": [ - 18.523373, - 3.854097, + 11.577106, + 2.40881, 0.0 ] }, { "label": "N", "location": [ - 16.725786, - 1.6, + 10.453616, + 1.0, 0.0 ] }, { "label": "C", "location": [ - 18.167337, - 2.294213, + 11.354585, + 1.433883, 0.0 ] } diff --git a/api/tests/integration/tests/layout/ref/acs_after_layout_zero_margin.ket b/api/tests/integration/tests/layout/ref/acs_after_layout_zero_margin.ket index ebdf125553..b0fcfb8001 100644 --- a/api/tests/integration/tests/layout/ref/acs_after_layout_zero_margin.ket +++ b/api/tests/integration/tests/layout/ref/acs_after_layout_zero_margin.ket @@ -19,7 +19,7 @@ { "type": "plus", "location": [ - 4.771281, + 2.982051, 0.0, 0.0 ] @@ -27,7 +27,7 @@ { "type": "plus", "location": [ - 25.051573, + 15.657232, 0.0, 0.0 ] @@ -38,12 +38,12 @@ "mode": "open-angle", "pos": [ { - "x": 10.928203, + "x": 6.830127, "y": 0.0, "z": 0.0 }, { - "x": 16.123371, + "x": 10.077106, "y": 0.0, "z": 0.0 } @@ -58,32 +58,32 @@ { "label": "C", "location": [ - 2.185641, - -1.2, + 1.366025, + -0.75, 0.0 ] }, { "label": "C", "location": [ - 2.185641, - 0.4, + 1.366025, + 0.25, 0.0 ] }, { "label": "O", "location": [ - 0.8, - 1.2, + 0.5, + 0.75, 0.0 ] }, { "label": "O", "location": [ - 3.571281, - 1.2, + 2.232051, + 0.75, 0.0 ] } @@ -118,32 +118,32 @@ { "label": "O", "location": [ - 5.971282, - -0.4, + 3.732051, + -0.25, 0.0 ] }, { "label": "C", "location": [ - 7.356922, - 0.4, + 4.598076, + 0.25, 0.0 ] }, { "label": "C", "location": [ - 8.742562, - -0.4, + 5.464101, + -0.25, 0.0 ] }, { "label": "C", "location": [ - 10.128202, - 0.4, + 6.330127, + 0.25, 0.0 ] } @@ -178,56 +178,56 @@ { "label": "C", "location": [ - 16.92337, - -1.2, + 10.577106, + -0.75, 0.0 ] }, { "label": "C", "location": [ - 18.309011, - -0.4, + 11.443131, + -0.25, 0.0 ] }, { "label": "O", "location": [ - 19.694651, - -1.2, + 12.309156, + -0.75, 0.0 ] }, { "label": "C", "location": [ - 21.080292, - -0.4, + 13.175182, + -0.25, 0.0 ] }, { "label": "C", "location": [ - 22.465933, - -1.2, + 14.041207, + -0.75, 0.0 ] }, { "label": "C", "location": [ - 23.851574, - -0.4, + 14.907232, + -0.25, 0.0 ] }, { "label": "O", "location": [ - 18.309011, - 1.2, + 11.443131, + 0.75, 0.0 ] } @@ -283,7 +283,7 @@ { "label": "O", "location": [ - 26.251572, + 16.407232, 0.0, 0.0 ] @@ -297,56 +297,56 @@ { "label": "N", "location": [ - 14.325787, - 4.30503, + 8.953616, + 2.690644, 0.0 ] }, { "label": "N", "location": [ - 12.725787, - 4.30503, + 7.953617, + 2.690644, 0.0 ] }, { "label": "C", "location": [ - 11.728203, - 3.0541, + 7.330127, + 1.908812, 0.0 ] }, { "label": "C", "location": [ - 12.084235, - 1.494215, + 7.552647, + 0.933884, 0.0 ] }, { "label": "C", "location": [ - 15.323371, - 3.054097, + 9.577106, + 1.90881, 0.0 ] }, { "label": "N", "location": [ - 13.525785, - 0.8, + 8.453616, + 0.5, 0.0 ] }, { "label": "C", "location": [ - 14.967336, - 1.494213, + 9.354585, + 0.933883, 0.0 ] } diff --git a/api/tests/integration/tests/layout/ref/acs_issue_2389.ket b/api/tests/integration/tests/layout/ref/acs_issue_2389.ket index 2bbbd9420c..9d9160cbbc 100644 --- a/api/tests/integration/tests/layout/ref/acs_issue_2389.ket +++ b/api/tests/integration/tests/layout/ref/acs_issue_2389.ket @@ -22,7 +22,7 @@ { "type": "plus", "location": [ - 4.400001, + 2.75, 0.0, 0.0 ] @@ -30,7 +30,7 @@ { "type": "plus", "location": [ - 23.599998, + 14.75, 0.0, 0.0 ] @@ -41,12 +41,12 @@ "mode": "open-angle", "pos": [ { - "x": 9.600001, + "x": 6.0, "y": 0.0, "z": 0.0 }, { - "x": 18.4, + "x": 11.5, "y": 0.0, "z": 0.0 } @@ -61,7 +61,7 @@ { "label": "C", "location": [ - 0.8, + 0.5, 0.0, 0.0 ] @@ -69,7 +69,7 @@ { "label": "N", "location": [ - 2.4, + 1.5, 0.0, 0.0 ] @@ -91,7 +91,7 @@ { "label": "C", "location": [ - 6.400001, + 4.0, 0.0, 0.0 ] @@ -99,7 +99,7 @@ { "label": "O", "location": [ - 8.000001, + 5.0, 0.0, 0.0 ] @@ -121,16 +121,16 @@ { "label": "C", "location": [ - 11.200002, - 1.6, + 7.0, + 1.0, 0.0 ] }, { "label": "C", "location": [ - 12.800002, - 1.6, + 8.0, + 1.0, 0.0 ] } @@ -151,16 +151,16 @@ { "label": "C", "location": [ - 15.200003, - 1.6, + 9.5, + 1.0, 0.0 ] }, { "label": "C", "location": [ - 16.800003, - 1.6, + 10.5, + 1.0, 0.0 ] } @@ -181,7 +181,7 @@ { "label": "C", "location": [ - 20.0, + 12.5, 0.0, 0.0 ] @@ -189,7 +189,7 @@ { "label": "F", "location": [ - 21.6, + 13.5, 0.0, 0.0 ] @@ -211,7 +211,7 @@ { "label": "C", "location": [ - 25.599997, + 16.0, 0.0, 0.0 ] @@ -219,7 +219,7 @@ { "label": "P", "location": [ - 27.199997, + 17.0, 0.0, 0.0 ] diff --git a/api/tests/integration/tests/layout/ref/acs_issue_2458.ket b/api/tests/integration/tests/layout/ref/acs_issue_2458.ket index 30137a1d43..704b72ca27 100644 --- a/api/tests/integration/tests/layout/ref/acs_issue_2458.ket +++ b/api/tests/integration/tests/layout/ref/acs_issue_2458.ket @@ -31,7 +31,7 @@ { "type": "plus", "location": [ - 7.316667, + 7.166667, 0.0, 0.0 ] @@ -42,12 +42,12 @@ "mode": "open-angle", "pos": [ { - "x": 10.008333, + "x": 9.708333, "y": 0.0, "z": 0.0 }, { - "x": 21.674999, + "x": 21.375, "y": 0.0, "z": 0.0 } @@ -286,7 +286,7 @@ { "label": "P", "location": [ - 10.668056, + 10.368055, 1.402778, 0.0 ] @@ -300,7 +300,7 @@ { "label": "P", "location": [ - 12.543056, + 12.243055, 1.402778, 0.0 ] @@ -314,7 +314,7 @@ { "label": "O", "location": [ - 9.348611, + 9.048611, 0.0, 0.0 ] @@ -328,7 +328,7 @@ { "label": "O", "location": [ - 15.390278, + 15.090278, 1.402778, 0.0 ] @@ -342,7 +342,7 @@ { "label": "O", "location": [ - 17.265278, + 16.965279, 1.402778, 0.0 ] @@ -356,7 +356,7 @@ { "label": "N", "location": [ - 22.820831, + 22.520832, 1.309017, 0.0 ] @@ -364,7 +364,7 @@ { "label": "C", "location": [ - 23.771889, + 23.471889, 1.0, 0.0 ] @@ -372,7 +372,7 @@ { "label": "C", "location": [ - 22.233047, + 21.933048, 0.5, 0.0 ] @@ -380,7 +380,7 @@ { "label": "C", "location": [ - 23.771889, + 23.471889, -0.0, 0.0 ] @@ -388,7 +388,7 @@ { "label": "N", "location": [ - 24.637915, + 24.337915, 1.5, 0.0 ] @@ -396,7 +396,7 @@ { "label": "N", "location": [ - 22.820833, + 22.520834, -0.309017, 0.0 ] @@ -404,7 +404,7 @@ { "label": "C", "location": [ - 24.637915, + 24.337915, -0.5, 0.0 ] @@ -412,7 +412,7 @@ { "label": "C", "location": [ - 25.503941, + 25.203941, 1.0, 0.0 ] @@ -420,7 +420,7 @@ { "label": "N", "location": [ - 25.503941, + 25.203941, 0.0, 0.0 ] @@ -428,7 +428,7 @@ { "label": "O", "location": [ - 24.637915, + 24.337915, -1.5, 0.0 ] @@ -436,7 +436,7 @@ { "label": "N", "location": [ - 26.369965, + 26.069965, 1.5, 0.0 ] @@ -535,7 +535,7 @@ { "label": "P", "location": [ - 18.168055, + 17.868055, 1.402778, 0.0 ] @@ -549,7 +549,7 @@ { "label": "O", "location": [ - 21.015278, + 20.715279, 1.402778, 0.0 ] diff --git a/api/tests/integration/tests/layout/ref/cyclopropadiens.sdf b/api/tests/integration/tests/layout/ref/cyclopropadiens.sdf index 398a7353b9..a6126fac6c 100644 --- a/api/tests/integration/tests/layout/ref/cyclopropadiens.sdf +++ b/api/tests/integration/tests/layout/ref/cyclopropadiens.sdf @@ -1,11 +1,11 @@ - -INDIGO-01181716142D + -INDIGO-11162418552D 4 4 0 0 0 0 0 0 0 0999 V2000 - 1.3856 0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 0.8660 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - -1.6000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 1.3856 -0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -1.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 0.8660 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 2 4 2 0 0 0 0 @@ -13,25 +13,25 @@ M END $$$$ - -INDIGO-01181716142D + -INDIGO-11162418552D 3 3 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - -0.8000 -1.3856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 0.8000 -1.3856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -0.5000 -0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 0.5000 -0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 2 0 0 0 0 3 1 1 0 0 0 0 M END $$$$ - -INDIGO-01181716142D + -INDIGO-11162418552D 4 4 0 0 0 0 0 0 0 0999 V2000 - -1.3856 0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - -1.3856 -0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -0.8660 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -0.8660 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 1.6000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 2 0 0 0 0 3 1 1 0 0 0 0 diff --git a/api/tests/integration/tests/layout/ref/ind-617-test-fixed-1.mol b/api/tests/integration/tests/layout/ref/ind-617-test-fixed-1.mol index 8941e2f1d9..9b579105ab 100644 --- a/api/tests/integration/tests/layout/ref/ind-617-test-fixed-1.mol +++ b/api/tests/integration/tests/layout/ref/ind-617-test-fixed-1.mol @@ -2,31 +2,31 @@ -INDIGO-01000000002D 25 28 0 0 0 0 0 0 0 0999 V2000 - 4.3855 -19.3188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 - 2.8859 -18.7610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 15.0089 -19.7395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 - 17.1444 -17.9732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 18.7220 -17.7065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 22.1040 -14.5318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 22.0691 -16.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 20.8574 -15.9402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 19.2798 -16.2069 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 - 18.2600 -14.9740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 16.6824 -15.2407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 16.1246 -16.7403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 14.5470 -17.0070 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 - 13.9891 -18.5066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 11.2685 -17.6537 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 - 12.4115 -18.7733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 11.7000 -20.2064 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 - 10.1172 -19.9725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 8.8843 -20.9923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 7.3847 -20.4345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 5.3517 -16.7214 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 - 5.6184 -18.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 7.1180 -18.8569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 8.3509 -17.8371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 9.8505 -18.3949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 2.7409 -12.0743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 1.8037 -11.7256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.3806 -12.3372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 10.7152 -11.2332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.7012 -11.0665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 13.8150 -9.0824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 13.7932 -10.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 13.0359 -9.9626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 12.0499 -10.1293 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 11.4125 -9.3587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.4265 -9.5254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.0779 -10.4627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.0919 -10.6294 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 8.7432 -11.5666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 7.0428 -11.0336 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 7.7572 -11.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 7.3125 -12.6290 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 6.3232 -12.4828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 5.5527 -13.1202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 4.6154 -12.7715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 3.3448 -10.4509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 3.5115 -11.4369 0.0000 C 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0.0 0 +M V30 3 C -0.937746 -5.47587 0.0 0 +M V30 4 C -0.23137 -6.1837 0.0 0 +M V30 5 C 0.734823 -5.92588 0.0 0 +M V30 6 C 0.99464 -4.96023 0.0 0 +M V30 7 C 0.288264 -4.25239 0.0 0 +M V30 8 C -0.194712 -3.44321 0.0 0 +M V30 9 C 0.285727 -2.56121 0.0 0 +M V30 10 C 1.25037 -2.37317 0.0 0 +M V30 11 C 1.13515 -1.30822 0.0 0 CFG=2 +M V30 12 O 0.189927 -0.981798 0.0 0 +M V30 13 C 0.0 0.0 0.0 0 CFG=1 +M V30 14 C -1.28547 0.650665 0.0 0 +M V30 15 C -3.02855 0.0258786 0.0 0 CFG=1 +M V30 16 C -3.51827 0.897758 0.0 0 +M V30 17 C -4.5182 0.909589 0.0 0 +M V30 18 C -5.02841 0.0495384 0.0 0 +M V30 19 C -4.53869 -0.822342 0.0 0 CFG=1 +M V30 20 C -6.1604 -2.08271 0.0 0 +M V30 21 C -6.55652 -3.55759 0.0 0 +M V30 22 C -6.04047 -4.9141 0.0 0 +M V30 23 C -4.85828 -5.5853 0.0 0 +M V30 24 O -3.6768 -5.21161 0.0 0 +M V30 25 O -3.53876 -0.834171 0.0 0 +M V30 26 C 0.755299 0.655381 0.0 0 +M V30 27 C 1.70052 0.328963 0.0 0 +M V30 28 O 1.89045 -0.652835 0.0 0 +M V30 29 O -0.677928 -4.51021 0.0 0 +M V30 END ATOM +M V30 BEGIN BOND +M V30 1 1 1 2 +M V30 2 2 2 3 +M V30 3 1 3 4 +M V30 4 1 4 5 +M V30 5 1 5 6 +M V30 6 1 6 7 +M V30 7 1 7 8 +M V30 8 1 8 9 +M V30 9 2 9 10 +M V30 10 1 11 10 CFG=3 +M V30 11 1 11 12 +M V30 12 1 13 12 CFG=1 +M V30 13 1 13 14 +M V30 14 1 15 14 CFG=3 +M V30 15 1 15 16 +M V30 16 1 16 17 +M V30 17 1 17 18 +M V30 18 1 19 18 CFG=3 +M V30 19 1 19 20 +M V30 20 1 20 21 +M V30 21 1 21 22 +M V30 22 1 22 23 +M V30 23 1 23 24 +M V30 24 1 24 1 +M V30 25 1 19 25 +M V30 26 1 25 15 +M V30 27 1 13 26 +M V30 28 1 26 27 +M V30 29 1 27 28 +M V30 30 1 28 11 +M V30 31 1 7 29 +M V30 32 1 29 3 +M V30 END BOND +M V30 BEGIN COLLECTION +M V30 MDLV30/STERAC1 ATOMS=(4 11 13 15 19) +M V30 END COLLECTION +M V30 END CTAB M END > Item #0 @@ -72,176 +82,176 @@ $$$$ -INDIGO-01000000002D 170185 0 0 0 0 0 0 0 0999 V2000 - 5.2327 -1.8272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 3.6608 -2.1257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 2.6164 -0.9136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 - 1.0444 -1.2121 0.0000 C 0 0 0 0 0 0 0 0 0 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b/api/tests/integration/tests/layout/ref/mingw/macrocycles.sdf index 879b4a6df6..67effa21ef 100644 --- a/api/tests/integration/tests/layout/ref/mingw/macrocycles.sdf +++ b/api/tests/integration/tests/layout/ref/mingw/macrocycles.sdf @@ -1,68 +1,78 @@ -INDIGO-01000000002D - 29 32 0 0 0 0 0 0 0 0999 V2000 - -4.2691 -9.0930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - -2.8964 -8.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - -1.5004 -8.7614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - -0.3702 -9.8939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 1.1757 -9.4814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 1.5914 -7.9364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 0.4612 -6.8038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - -0.3115 -5.5091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 0.4572 -4.0979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 2.0006 -3.7971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 1.8162 -2.0931 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 - 0.3039 -1.5709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 - 0.0000 0.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 - -2.0567 1.0411 0.0000 C 0 0 0 0 0 0 0 0 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diff --git a/api/tests/integration/tests/layout/ref/orientation_horizontal_smart1.sdf b/api/tests/integration/tests/layout/ref/orientation_horizontal_smart1.sdf index bb48c8e479..da851d00a9 100644 --- a/api/tests/integration/tests/layout/ref/orientation_horizontal_smart1.sdf +++ b/api/tests/integration/tests/layout/ref/orientation_horizontal_smart1.sdf @@ -2,22 +2,22 @@ -INDIGO-01000000002D 16 16 0 0 0 0 0 0 0 0999 V2000 - -1.9215 -1.9969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - -0.3843 -1.5532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -1.2010 -1.2481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -0.2402 -0.9707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - -1.1529 1.1094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - -2.6902 0.6656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - -3.0745 -0.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 1.5372 0.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 2.6902 -0.6656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 4.2274 -0.2219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 4.6117 1.3313 0.0000 C 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1 0 0 0 0 diff --git a/api/tests/integration/tests/layout/ref/orientation_smart0.sdf b/api/tests/integration/tests/layout/ref/orientation_smart0.sdf index a3304648c5..00d3355eba 100644 --- a/api/tests/integration/tests/layout/ref/orientation_smart0.sdf +++ b/api/tests/integration/tests/layout/ref/orientation_smart0.sdf @@ -2,22 +2,22 @@ -INDIGO-01000000002D 16 16 0 0 0 0 0 0 0 0999 V2000 - -2.4000 1.3856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - -0.8000 1.3856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -1.5000 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -0.5000 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - -0.8000 -1.3856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - -2.4000 -1.3856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - -3.2000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 1.6000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 2.4000 -1.3856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 4.0000 -1.3856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 4.8000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 6.4000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 7.2000 1.3856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 4.8000 -2.7713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 6.4000 -2.7713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 7.2000 -4.1569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 8.8000 -4.1569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -0.5000 -0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -1.5000 -0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -2.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1.5000 -0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 2.5000 -0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 4.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 4.5000 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 3.0000 -1.7321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 4.0000 -1.7321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 4.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 5.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 diff --git a/api/tests/integration/tests/layout/ref/orientation_smart1.sdf b/api/tests/integration/tests/layout/ref/orientation_smart1.sdf index 34da848b4a..df86926259 100644 --- a/api/tests/integration/tests/layout/ref/orientation_smart1.sdf +++ b/api/tests/integration/tests/layout/ref/orientation_smart1.sdf @@ -2,22 +2,22 @@ -INDIGO-01000000002D 16 16 0 0 0 0 0 0 0 0999 V2000 - -2.4000 1.3856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - -0.8000 1.3856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -1.5000 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -0.5000 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - -0.8000 -1.3856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - -2.4000 -1.3856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - -3.2000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 1.6000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 2.4000 1.3856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 4.0000 1.3856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 4.8000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 6.4000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 7.2000 -1.3856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 4.8000 2.7713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 6.4000 2.7713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 7.2000 4.1569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 8.8000 4.1569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -0.5000 -0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -1.5000 -0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -2.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1.5000 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 2.5000 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 4.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 4.5000 -0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 3.0000 1.7321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 4.0000 1.7320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 4.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 5.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 diff --git a/api/tests/integration/tests/layout/ref/orientation_unspecified_smart0.sdf b/api/tests/integration/tests/layout/ref/orientation_unspecified_smart0.sdf index a3304648c5..00d3355eba 100644 --- a/api/tests/integration/tests/layout/ref/orientation_unspecified_smart0.sdf +++ b/api/tests/integration/tests/layout/ref/orientation_unspecified_smart0.sdf @@ -2,22 +2,22 @@ -INDIGO-01000000002D 16 16 0 0 0 0 0 0 0 0999 V2000 - -2.4000 1.3856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - -0.8000 1.3856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -1.5000 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -0.5000 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - -0.8000 -1.3856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - -2.4000 -1.3856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - -3.2000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 1.6000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 2.4000 -1.3856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 4.0000 -1.3856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 4.8000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 6.4000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 7.2000 1.3856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 4.8000 -2.7713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 6.4000 -2.7713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 7.2000 -4.1569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 8.8000 -4.1569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -0.5000 -0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -1.5000 -0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -2.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1.5000 -0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 2.5000 -0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 4.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 4.5000 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 3.0000 -1.7321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 4.0000 -1.7321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 4.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 5.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 diff --git a/api/tests/integration/tests/layout/ref/orientation_unspecified_smart1.sdf b/api/tests/integration/tests/layout/ref/orientation_unspecified_smart1.sdf index 34da848b4a..df86926259 100644 --- a/api/tests/integration/tests/layout/ref/orientation_unspecified_smart1.sdf +++ b/api/tests/integration/tests/layout/ref/orientation_unspecified_smart1.sdf @@ -2,22 +2,22 @@ -INDIGO-01000000002D 16 16 0 0 0 0 0 0 0 0999 V2000 - -2.4000 1.3856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - -0.8000 1.3856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -1.5000 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -0.5000 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - -0.8000 -1.3856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - -2.4000 -1.3856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - -3.2000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 1.6000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 2.4000 1.3856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 4.0000 1.3856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 4.8000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 6.4000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 7.2000 -1.3856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 4.8000 2.7713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 6.4000 2.7713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 7.2000 4.1569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 8.8000 4.1569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -0.5000 -0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -1.5000 -0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -2.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1.5000 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 2.5000 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 4.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 4.5000 -0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 3.0000 1.7321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 4.0000 1.7320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 4.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 5.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 diff --git a/api/tests/integration/tests/layout/ref/orientation_vertical_smart0.sdf b/api/tests/integration/tests/layout/ref/orientation_vertical_smart0.sdf index 236dd133ef..e1ae95fe12 100644 --- a/api/tests/integration/tests/layout/ref/orientation_vertical_smart0.sdf +++ b/api/tests/integration/tests/layout/ref/orientation_vertical_smart0.sdf @@ -2,22 +2,22 @@ -INDIGO-01000000002D 16 16 0 0 0 0 0 0 0 0999 V2000 - -0.6656 -2.6902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - -1.1094 -1.1529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -0.4160 -1.6813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -0.6934 -0.7206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 1.5532 -0.3843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 1.9969 -1.9215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 0.8875 -3.0745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - -0.4438 1.5372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 0.6656 2.6902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 0.2219 4.2274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - -1.3313 4.6117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - -1.7750 6.1489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - -3.3282 6.5332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 1.3313 5.3803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 0.8875 6.9175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 1.9969 8.0705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 1.5532 9.6077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 0.9707 -0.2402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1.2481 -1.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 0.5547 -1.9215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -0.2774 0.9608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 0.4160 1.6813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 0.1387 2.6421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -0.8321 2.8823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -1.1094 3.8431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -2.0801 4.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 0.8321 3.3627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 0.5547 4.3235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1.2481 5.0440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 0.9707 6.0048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 diff --git a/api/tests/integration/tests/layout/ref/orientation_vertical_smart1.sdf b/api/tests/integration/tests/layout/ref/orientation_vertical_smart1.sdf index 4bc628a05d..5af79bf46a 100644 --- a/api/tests/integration/tests/layout/ref/orientation_vertical_smart1.sdf +++ b/api/tests/integration/tests/layout/ref/orientation_vertical_smart1.sdf @@ -2,22 +2,22 @@ -INDIGO-01000000002D 16 16 0 0 0 0 0 0 0 0999 V2000 - -1.9969 -1.9215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - -1.5532 -0.3843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -1.2481 -1.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -0.9707 -0.2402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 1.1094 -1.1529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 0.6656 -2.6902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - -0.8875 -3.0745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 0.4438 1.5372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - -0.6656 2.6902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - -0.2219 4.2274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 1.3313 4.6117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 1.7750 6.1489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 3.3282 6.5332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - -1.3313 5.3803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - -0.8875 6.9175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - -1.9969 8.0705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - -1.5532 9.6077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 0.6934 -0.7206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 0.4160 -1.6813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -0.5547 -1.9215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 0.2774 0.9608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -0.4160 1.6813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -0.1387 2.6421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 0.8321 2.8823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1.1094 3.8431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 2.0801 4.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -0.8321 3.3627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -0.5547 4.3235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -1.2481 5.0440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -0.9707 6.0048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 diff --git a/api/tests/integration/tests/layout/ref/reaction_clean2d.rdf b/api/tests/integration/tests/layout/ref/reaction_clean2d.rdf index c7f33e838d..79ad9eaa40 100644 --- a/api/tests/integration/tests/layout/ref/reaction_clean2d.rdf +++ b/api/tests/integration/tests/layout/ref/reaction_clean2d.rdf @@ -66,89 +66,6 @@ $MOL -INDIGO-01000000002D - 7 7 0 0 0 0 0 0 0 0999 V2000 - 22.6502 -0.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 23.6345 -0.9689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 23.8864 -1.9670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 23.1488 -2.6855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 22.1549 -2.4017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 21.9070 -1.4024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 23.4006 -3.6803 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 - 1 2 1 0 0 0 0 - 2 3 2 0 0 0 0 - 3 4 1 0 0 0 0 - 4 5 2 0 0 0 0 - 5 6 1 0 0 0 0 - 6 1 2 0 0 0 0 - 4 7 1 0 0 0 0 -M END ref= - $RXN - - -INDIGO- 0100000000 - - 2 2 -$MOL - - -INDIGO-01000000002D - - 8 7 0 0 0 0 0 0 0 0999 V2000 - -0.8171 -1.7527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - -0.1259 -2.1675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 0.5708 -1.7753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 1.2534 -2.1754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 1.9510 -1.7843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 2.6445 -2.1932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 3.3459 -1.7934 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 - 1.2498 -2.9396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 - 1 2 1 0 0 0 0 - 2 3 1 0 0 0 0 - 3 4 1 0 0 0 0 - 4 5 1 0 0 0 0 - 5 6 1 0 0 0 0 - 6 7 1 0 0 0 0 - 4 8 2 0 0 0 0 -M END -$MOL - - -INDIGO-01000000002D - - 6 6 0 0 0 0 0 0 0 0999 V2000 - 7.7849 -2.8002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 8.5567 -3.2876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 8.5231 -4.2061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 7.7142 -4.6354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 6.9325 -4.1431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 6.9705 -3.2256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 1 2 1 0 0 0 0 - 2 3 2 0 0 0 0 - 3 4 1 0 0 0 0 - 4 5 2 0 0 0 0 - 5 6 1 0 0 0 0 - 6 1 2 0 0 0 0 -M END -$MOL - - -INDIGO-01000000002D - - 7 6 0 0 0 0 0 0 0 0999 V2000 - 14.6594 -6.4382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 14.9589 -7.2009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 15.7512 -7.3141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 16.0655 -8.0647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 16.8741 -8.1593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 17.1950 -8.8876 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 - 16.2571 -6.6573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 1 2 1 0 0 0 0 - 2 3 1 0 0 0 0 - 3 4 1 0 0 0 0 - 4 5 1 0 0 0 0 - 5 6 1 0 0 0 0 - 3 7 1 0 0 0 0 -M END -$MOL - - -INDIGO-01000000002D - 7 7 0 0 0 0 0 0 0 0999 V2000 22.6502 -0.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6345 -0.9689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 diff --git a/api/tests/integration/tests/layout/ref/reaction_layout.rdf b/api/tests/integration/tests/layout/ref/reaction_layout.rdf index 239a5ca1cb..230a9b9f94 100644 --- a/api/tests/integration/tests/layout/ref/reaction_layout.rdf +++ b/api/tests/integration/tests/layout/ref/reaction_layout.rdf @@ -1,3 +1,4 @@ +$RFMT $RXN -INDIGO- 0100000000 @@ -8,14 +9,14 @@ $MOL -INDIGO-01000000002D 8 7 0 0 0 0 0 0 0 0999 V2000 - 0.8000 1.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 2.1856 0.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 3.5713 1.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 4.9569 0.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 6.3426 1.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 7.7282 0.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 9.1138 1.2000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 - 4.9569 -1.2000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 0.5000 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1.3660 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 2.2321 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 3.0981 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 3.9641 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 4.8301 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 5.6962 0.7500 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 + 3.0981 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 @@ -29,12 +30,12 @@ $MOL -INDIGO-01000000002D 6 6 0 0 0 0 0 0 0 0999 V2000 - 14.4995 1.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 13.1138 0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 13.1138 -0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 14.4995 -1.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 15.8851 -0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 15.8851 0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.0622 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.1962 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.1962 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.0622 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.9282 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.9282 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 @@ -47,13 +48,13 @@ $MOL -INDIGO-01000000002D 7 6 0 0 0 0 0 0 0 0999 V2000 - 20.6851 0.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 22.0708 1.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 23.4564 0.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 24.8420 1.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 26.2277 0.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 27.6133 1.2000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 - 23.4564 -1.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 12.9282 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 13.7942 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 14.6603 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 15.5263 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 16.3923 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 17.2583 0.7500 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 + 14.6603 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 @@ -66,13 +67,13 @@ $MOL -INDIGO-01000000002D 7 7 0 0 0 0 0 0 0 0999 V2000 - 31.6133 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 32.4133 1.3856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 34.0133 1.3856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 34.8133 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 34.0133 -1.3856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 32.4133 -1.3856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 36.4133 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 19.7583 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 20.2583 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 21.2583 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 21.7583 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 21.2583 -0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 20.2583 -0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 22.7583 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 diff --git a/api/tests/integration/tests/layout/ref/rings_templates.sdf b/api/tests/integration/tests/layout/ref/rings_templates.sdf index 886ac7f019..2ddf6c1788 100644 --- a/api/tests/integration/tests/layout/ref/rings_templates.sdf +++ b/api/tests/integration/tests/layout/ref/rings_templates.sdf @@ -3,15 +3,15 @@ Ring10 10 10 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 0.0000 -2.7198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 1.1778 -2.0398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - -1.1776 -2.0398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - -1.1776 -0.6800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 3.5333 -2.0398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 3.5333 -0.6800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 2.3555 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 1.1778 -0.6800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 2.3555 -2.7198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 0.0000 -1.6999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 0.7361 -1.2749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -0.7360 -1.2749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -0.7360 -0.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 2.2083 -1.2749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 2.2083 -0.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1.4722 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 0.7361 -0.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1.4722 -1.6999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8 9 1 0 0 0 0 3 10 1 0 0 0 0 10 6 1 0 0 0 0 @@ -41,16 +41,16 @@ Ring11 11 11 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 0.7646 -1.3244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 2.1585 -0.7979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 3.9399 -1.5218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 4.0632 0.3018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 5.2425 1.3146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 4.4683 2.6526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 3.0187 2.2077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 1.9708 3.3142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 0.6535 2.5269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 1.1166 1.0650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 0.4779 -0.8277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1.3491 -0.4987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 2.4625 -0.9511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 2.5395 0.1886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 3.2765 0.8217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 2.7927 1.6579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1.8867 1.3798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1.2317 2.0714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 0.4085 1.5793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 0.6979 0.6656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 @@ -75,17 +75,17 @@ Ring12 12 12 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - -1.5954 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - -1.9464 1.5574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - -3.4890 1.9238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - -3.4822 3.5166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - -1.9130 3.8702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - -1.5445 5.4197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 0.0592 5.4179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 0.4186 3.8685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 1.9541 3.5034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 1.9382 1.9118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 0.3674 1.5717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -0.9971 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -1.2165 0.9734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -2.1806 1.2024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -2.1764 2.1979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -1.1956 2.4189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -0.9653 3.3873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 0.0370 3.3862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 0.2616 2.4178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1.2213 2.1896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1.2114 1.1949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 0.2296 0.9823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 @@ -117,18 +117,18 @@ Ring13 13 13 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 1.0864 1.1650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 0.9837 -1.6321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 0.8145 2.7288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 2.5414 -1.2203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 2.1732 3.5133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 3.6777 -2.3078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 3.3207 2.4535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 5.2157 -1.5027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 4.7023 3.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 4.6681 0.1112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 5.8346 2.1889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 6.0154 0.8534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 0.6790 0.7282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 0.6148 -1.0201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 0.5090 1.7055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1.5884 -0.7627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1.3583 2.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 2.2985 -1.4424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 2.0754 1.5335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 3.2598 -0.9392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 2.9390 1.9480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 2.9175 0.0695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 3.6466 1.3681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 3.7596 0.5334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 @@ -161,19 +161,19 @@ Ring14 14 14 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 0.8730 1.3597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 0.8507 -1.3430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 2.4496 1.1509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 2.4179 -1.1306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 3.0944 2.6171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 3.0576 -2.5994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 4.7029 2.6026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 4.6501 -2.6077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 5.3229 1.1258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 5.2965 -1.1477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 6.8838 1.3256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 6.8614 -1.3722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 7.7318 -0.0285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 0.5456 0.8498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 0.5317 -0.8394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1.5310 0.7193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1.5112 -0.7066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1.9340 1.6357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1.9110 -1.6246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 2.9393 1.6266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 2.9063 -1.6298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 3.3268 0.7036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 3.3103 -0.7173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 4.3024 0.8285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 4.2884 -0.8576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 4.8324 -0.0178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 4 1 0 0 0 0 @@ -201,20 +201,20 @@ Ring15 15 15 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 0.5378 -1.5062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 2.1685 -1.5062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 2.7342 -3.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 4.3467 -2.9534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 4.8139 -1.4189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 6.3883 -1.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 6.8074 0.2120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 5.5128 1.1194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 5.9406 2.6352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 4.6549 3.5422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 3.3669 2.6221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 2.0530 3.5093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 0.7549 2.5120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 1.2594 0.9941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 0.3361 -0.9414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1.3553 -0.9414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1.7089 -1.8759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 2.7167 -1.8459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 3.0087 -0.8868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 3.9927 -0.8203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 4.2546 0.1325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 3.4455 0.6996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 3.7129 1.6470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 2.9093 2.2139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 2.1043 1.6388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1.2831 2.1933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 0.4718 1.5700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 0.7871 0.6213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 4 5 1 0 0 0 0 @@ -243,21 +243,21 @@ Ring16 16 16 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - -5.5426 1.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - -1.3856 -0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - -5.5426 4.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - -6.9282 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - -6.9282 2.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - -5.5426 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - -4.1570 -0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - -2.7712 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - -4.1570 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - -2.7712 4.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - -1.3856 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 0.0000 1.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 1.3856 2.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 1.3856 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 0.0000 4.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.4641 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -0.8660 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.4641 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -4.3301 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -4.3301 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.4641 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -2.5981 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -1.7320 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -2.5981 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -1.7320 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -0.8660 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 0.0000 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 0.8660 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 0.8660 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 0.0000 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9 3 1 0 0 0 0 3 1 1 0 0 0 0 1 13 1 0 0 0 0 @@ -293,23 +293,23 @@ Ring18 18 18 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 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1.0857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 2.6296 2.1897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 3.5832 2.7477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 4.5499 2.1968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 5.5052 2.7437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 6.4557 2.1868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 6.4508 1.0829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 6.4313 -1.1029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 6.4252 -2.2008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 5.4692 -2.7423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 4.5344 -2.1827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 3.5817 -2.7316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 2.6308 -2.1780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 2.6326 -1.0754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1.6878 0.5487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1.6880 -0.5481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 0.6449 -0.8872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 0.6447 0.8873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 2 10 1 0 0 0 0 3 11 1 0 0 0 0 diff --git a/api/tests/integration/tests/layout/ref/selective_layout.sdf b/api/tests/integration/tests/layout/ref/selective_layout.sdf index 4acb707355..d50a11a548 100644 --- a/api/tests/integration/tests/layout/ref/selective_layout.sdf +++ b/api/tests/integration/tests/layout/ref/selective_layout.sdf @@ -2,75 +2,75 @@ -INDIGO-01000000002D 69 77 0 0 0 0 0 0 0 0999 V2000 - 10.6903 18.4950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 9.5471 17.8350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 9.5471 16.5149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 10.6903 15.8549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 11.8335 16.5149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 11.8335 17.8350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 13.1194 14.6763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 14.1197 16.5149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 14.1197 17.8349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 12.9767 18.4949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 15.2629 15.8549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 16.4061 16.5149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 16.4061 17.8349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 15.4415 19.5662 0.0000 C 0 0 0 0 0 0 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C 0 0 0 0 0 0 0 0 0 0 0 0 + -0.8363 0.5444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 0.0854 -1.5946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 1.8451 -1.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 0.5068 -0.7121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 0.4214 0.8825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 1.6743 1.6059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 3.0125 0.7346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 1.2528 0.7233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 3.0980 -0.8600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 0.0534 -0.9966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1.1532 -0.9896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 0.3168 -0.4450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 0.2634 0.5516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1.0465 1.0037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1.8828 0.4591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 0.7830 0.4520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1.9363 -0.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 4 10 1 0 0 0 0 3 4 1 0 0 0 0 diff --git a/api/tests/integration/tests/layout/ref/test1.rxn b/api/tests/integration/tests/layout/ref/test1.rxn index bbee0de58a..70dc0412a3 100644 --- a/api/tests/integration/tests/layout/ref/test1.rxn +++ b/api/tests/integration/tests/layout/ref/test1.rxn @@ -8,11 +8,11 @@ $MOL -INDIGO-01000000002D 5 5 0 0 0 0 0 0 0 0999 V2000 - 0.8000 -1.0928 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 - 1.6000 0.2928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 3.2000 0.2928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 4.5856 -0.5072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 4.5856 1.0928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 0.5000 -0.6830 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 + 1.0000 0.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 2.0000 0.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 2.8660 -0.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 2.8660 0.6830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 @@ -24,28 +24,28 @@ $MOL -INDIGO-01000000002D 22 22 0 0 0 0 0 0 0 0999 V2000 - 13.7569 -2.3391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 13.7569 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22.0708 -0.7391 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 + 8.5981 -1.4619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.5981 -0.4619 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 + 7.7321 0.0381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 6.8660 -0.4619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 6.3660 -1.3280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 5.8660 -0.4619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 9.4641 0.0381 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 + 8.9641 0.9041 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 9.9641 -0.8280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 10.3301 0.5381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.7128 1.4619 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 + 9.9474 1.4619 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 + 11.1962 0.0381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.8135 -0.8858 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 + 11.5788 -0.8858 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 + 12.0622 0.5381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 12.4449 1.4619 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 + 11.6795 1.4619 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 + 12.9282 0.0381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 12.9282 -0.9619 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 + 13.7942 0.5381 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 + 13.7942 -0.4619 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 diff --git a/api/tests/integration/tests/layout/ref/test_sgroup.mol b/api/tests/integration/tests/layout/ref/test_sgroup.mol index d61d507d5e..ffe61de092 100644 --- a/api/tests/integration/tests/layout/ref/test_sgroup.mol +++ b/api/tests/integration/tests/layout/ref/test_sgroup.mol @@ -2,40 +2,40 @@ -INDIGO-01000000002D 34 36 0 0 0 0 0 0 0 0999 V2000 - 0.0000 2.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 1.3856 3.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 2.7713 2.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 2.7713 0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 1.3856 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 0.0000 0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 4.1569 3.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 5.5426 2.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 6.9282 3.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 8.3138 2.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 8.3138 0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 9.6995 3.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 11.0851 2.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 11.0851 0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 9.6995 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 6.1549 0.9218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 4.9303 0.9218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 14.2851 2.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 15.6708 3.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 17.0564 2.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 17.0564 0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 15.6708 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 14.2851 0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 18.4420 3.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 19.8277 2.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 21.2133 3.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 22.5990 2.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 22.5990 0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 23.9846 3.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 25.3703 2.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 25.3703 0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 23.9846 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 20.4400 0.9218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 19.2154 0.9218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 0.0000 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 0.8660 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1.7321 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1.7321 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 0.8660 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 0.0000 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 2.5981 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 3.4641 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 4.3301 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 5.1962 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 5.1962 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 6.0622 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 6.9282 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 6.9282 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 6.0622 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 3.8468 0.5761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 3.0814 0.5761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.9282 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.7942 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.6603 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.6603 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.7942 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.9282 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.5263 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 12.3923 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 13.2583 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 14.1244 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 14.1244 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 14.9904 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 15.8564 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 15.8564 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 14.9904 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 12.7750 0.5761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 12.0096 0.5761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 6 2 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 @@ -76,14 +76,14 @@ M STY 3 1 DAT 2 DAT 3 DAT M SLB 3 1 1 2 2 3 3 M SAL 1 6 6 5 4 3 2 1 M SDT 1 dfg -M SDD 1 1.3856 1.6000 DA ALL 1 1 +M SDD 1 0.8660 1.0000 DA ALL 1 1 M SED 1 dfg M SAL 2 2 14 15 M SDT 2 Var -M SDD 2 10.7164 0.3705 DAU ALL 1 1 +M SDD 2 6.8193 0.2205 DAU ALL 1 1 M SED 2 Any text M SAL 3 2 34 33 M SDT 3 Var3 -M SDD 3 19.1683 0.8093 DAU ALL 1 1 +M SDD 3 11.7330 0.4636 DAU ALL 1 1 M SED 3 Any text 3 M END diff --git a/api/tests/integration/tests/layout/ref/test_sgroup.rxn b/api/tests/integration/tests/layout/ref/test_sgroup.rxn index 3476de22f3..84c168e020 100644 --- a/api/tests/integration/tests/layout/ref/test_sgroup.rxn +++ b/api/tests/integration/tests/layout/ref/test_sgroup.rxn @@ -8,12 +8,12 @@ $MOL -INDIGO-01000000002D 6 6 0 0 0 0 0 0 0 0999 V2000 - 3.2000 1.3856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 1.6000 1.3856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 0.8000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 1.6000 -1.3856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 3.2000 -1.3856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 4.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 2.0000 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1.0000 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 0.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1.0000 -0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 2.0000 -0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 2.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 @@ -24,7 +24,7 @@ M STY 1 1 DAT M SLB 1 1 1 M SAL 1 6 1 2 3 4 5 6 M SDT 1 asd -M SDD 1 3.5571 -0.8839 DA ALL 1 1 +M SDD 1 2.6571 -0.8839 DA ALL 1 1 M SED 1 asd M END $MOL @@ -32,12 +32,12 @@ $MOL -INDIGO-01000000002D 6 6 0 0 0 0 0 0 0 0999 V2000 - 11.2000 1.3856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 9.6000 1.3856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 8.8000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 9.6000 -1.3856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 11.2000 -1.3856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 12.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 7.0000 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 6.0000 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 5.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 6.0000 -0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 7.0000 -0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 7.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 @@ -48,6 +48,6 @@ M STY 1 1 DAT M SLB 1 1 1 M SAL 1 6 1 2 3 4 5 6 M SDT 1 AAA -M SDD 1 8.3376 -2.0277 DAU ALL 1 1 +M SDD 1 4.4376 -2.0277 DAU ALL 1 1 M SED 1 BBBBB M END diff --git a/api/tests/integration/tests/layout/ref/win/macrocycles.sdf b/api/tests/integration/tests/layout/ref/win/macrocycles.sdf index 431a2628eb..af36fe8e5c 100644 --- a/api/tests/integration/tests/layout/ref/win/macrocycles.sdf +++ b/api/tests/integration/tests/layout/ref/win/macrocycles.sdf @@ -2,35 +2,35 @@ -INDIGO-01000000002D 29 32 0 0 0 0 0 0 0 0999 V2000 - -4.2691 -9.0930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - -2.8964 -8.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - -1.5004 -8.7614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - -0.3702 -9.8939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 1.1757 -9.4814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 1.5914 -7.9364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 0.4612 -6.8038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - -0.3115 -5.5091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 0.4572 -4.0979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 2.0006 -3.7971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 1.8162 -2.0931 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 - 0.3039 -1.5709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -2.6682 -5.6831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -1.8102 -5.0984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -0.9377 -5.4759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -0.2314 -6.1837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 0.7348 -5.9259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 0.9946 -4.9602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 0.2883 -4.2524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -0.1947 -3.4432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 0.2857 -2.5612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1.2504 -2.3732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1.1352 -1.3082 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 + 0.1899 -0.9818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 - -2.0567 1.0411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - -4.8457 0.0414 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 - -5.6292 1.4364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - -7.2291 1.4553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - -8.0455 0.0793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - -7.2619 -1.3157 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 - -9.8566 -3.3323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - -10.4904 -5.6921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - -9.6648 -7.8626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - -7.7732 -8.9365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - -5.8829 -8.3386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 - -5.6620 -1.3347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 - 1.2085 1.0486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 2.7208 0.5263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 3.0247 -1.0445 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 - -1.0847 -7.2163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -1.2855 0.6507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.0285 0.0259 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 + -3.5183 0.8978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -4.5182 0.9096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -5.0284 0.0495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -4.5387 -0.8223 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 + -6.1604 -2.0827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -6.5565 -3.5576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -6.0405 -4.9141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -4.8583 -5.5853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.6768 -5.2116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -3.5388 -0.8342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + 0.7553 0.6554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1.7005 0.3290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1.8905 -0.6528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 + -0.6779 -4.5102 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 @@ -72,176 +72,176 @@ $$$$ -INDIGO-01000000002D 170185 0 0 0 0 0 0 0 0999 V2000 - 5.2327 -1.8272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 3.6608 -2.1257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 2.6164 -0.9136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 - 1.0444 -1.2121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 0.5170 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b/api/tests/integration/tests/reaction/reactions/issue_1205.ket index 4a2bb3b01a..7825e9628f 100644 --- a/api/tests/integration/tests/reaction/reactions/issue_1205.ket +++ b/api/tests/integration/tests/reaction/reactions/issue_1205.ket @@ -19,12 +19,12 @@ "mode": "open-angle", "pos": [ { - "x": 6.768493, + "x": 5.730308, "y": 0.0, "z": 0.0 }, { - "x": 16.168491, + "x": 15.130307, "y": 0.0, "z": 0.0 } @@ -40,31 +40,31 @@ "label": "C", "location": [ 1.3, - 0.799844, + 0.499902, 0.0 ] }, { "label": "C", "location": [ - 4.068493, - 0.800643, + 3.030308, + 0.500402, 0.0 ] }, { "label": "C", "location": [ - 2.686886, - 1.600007, + 2.166803, + 1.000004, 0.0 ] }, { "label": "C", "location": [ - 4.068493, - -0.800804, + 3.030308, + -0.500503, 0.0 ] }, @@ -72,15 +72,15 @@ "label": "C", "location": [ 1.3, - -0.808003, + -0.505002, 0.0 ] }, { "label": "C", "location": [ - 2.690406, - -1.600007, + 2.169004, + -1.000004, 0.0 ] } @@ -136,48 +136,48 @@ { "label": "C", "location": [ - 18.868492, - 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a/api/tests/integration/tests/rendering/ref/win/smarts/0209.svg b/api/tests/integration/tests/rendering/ref/win/smarts/0209.svg index 667c0fb5e6..2bd59df013 100644 --- a/api/tests/integration/tests/rendering/ref/win/smarts/0209.svg +++ b/api/tests/integration/tests/rendering/ref/win/smarts/0209.svg @@ -9,2084 +9,2084 @@ - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - + - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - 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\ No newline at end of file diff --git a/api/wasm/indigo-ketcher/test/helm_maxmgc.ket b/api/wasm/indigo-ketcher/test/helm_maxmgc.ket index 59bb77b083..d03f96c03e 100644 --- a/api/wasm/indigo-ketcher/test/helm_maxmgc.ket +++ b/api/wasm/indigo-ketcher/test/helm_maxmgc.ket @@ -1 +1 @@ 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\ No newline at end of file diff --git a/api/wasm/indigo-ketcher/test/test.js b/api/wasm/indigo-ketcher/test/test.js index 1129204c0d..ab7cd094f2 100644 --- a/api/wasm/indigo-ketcher/test/test.js +++ b/api/wasm/indigo-ketcher/test/test.js @@ -602,7 +602,7 @@ M END { test("layout", "basic", () => { let options = new indigo.MapStringString(); - assert(indigo.layout(mol_smiles, "molfile", options).indexOf("-1.6") !== -1); + assert(indigo.layout(mol_smiles, "molfile", options).indexOf("-1.0") !== -1); options.delete(); }); } diff --git a/api/wasm/indigo-ketcher/test/test_peptide_ref.ket b/api/wasm/indigo-ketcher/test/test_peptide_ref.ket index 888cee2be3..02b6d50638 100644 --- a/api/wasm/indigo-ketcher/test/test_peptide_ref.ket +++ b/api/wasm/indigo-ketcher/test/test_peptide_ref.ket @@ -1 +1 @@ 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\ No newline at end of file diff --git a/api/wasm/indigo-ketcher/test/test_rna_ref.ket b/api/wasm/indigo-ketcher/test/test_rna_ref.ket index 97d535db78..ff928d4a26 100644 --- a/api/wasm/indigo-ketcher/test/test_rna_ref.ket +++ b/api/wasm/indigo-ketcher/test/test_rna_ref.ket @@ -1 +1 @@ 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"type\":1,\"atoms\":[2,3]},{\"type\":2,\"atoms\":[3,4]},{\"type\":1,\"atoms\":[4,5]},{\"type\":1,\"atoms\":[6,7]},{\"type\":1,\"atoms\":[6,10]},{\"type\":2,\"atoms\":[7,8]}]},\"monomerTemplate-G___Guanine\":{\"type\":\"monomerTemplate\",\"id\":\"G___Guanine\",\"class\":\"Base\",\"classHELM\":\"RNA\",\"fullName\":\"Guanine\",\"alias\":\"G\",\"naturalAnalogShort\":\"G\",\"attachmentPoints\":[{\"attachmentAtom\":6,\"type\":\"left\",\"leavingGroup\":{\"atoms\":[11]}}],\"atoms\":[{\"label\":\"C\",\"location\":[1.035400,0.249800,0.000000]},{\"label\":\"C\",\"location\":[-0.079200,-0.754000,0.000000]},{\"label\":\"C\",\"location\":[-1.505700,-0.290600,0.000000]},{\"label\":\"N\",\"location\":[-1.817700,1.176600,0.000000]},{\"label\":\"C\",\"location\":[-0.703100,2.180400,0.000000]},{\"label\":\"N\",\"location\":[0.723500,1.717000,0.000000]},{\"label\":\"N\",\"location\":[-2.387100,-1.503400,0.000000]},{\"label\":\"C\",\"location\":[-1.505300,-2.716800,0.000000]},{\"label\":\"N\",\"location\":[-0.078700,-2.253200,0.000000]},{\"label\":\"O\",\"location\":[2.176800,-0.120900,0.000000]},{\"label\":\"N\",\"location\":[-0.952700,3.354200,0.000000]},{\"label\":\"H\",\"location\":[-3.587100,-1.503400,0.000000]}],\"bonds\":[{\"type\":2,\"atoms\":[0,9]},{\"type\":1,\"atoms\":[0,5]},{\"type\":1,\"atoms\":[0,1]},{\"type\":1,\"atoms\":[8,1]},{\"type\":2,\"atoms\":[1,2]},{\"type\":1,\"atoms\":[6,2]},{\"type\":1,\"atoms\":[2,3]},{\"type\":2,\"atoms\":[3,4]},{\"type\":1,\"atoms\":[4,5]},{\"type\":1,\"atoms\":[4,10]},{\"type\":1,\"atoms\":[6,7]},{\"type\":1,\"atoms\":[6,11]},{\"type\":2,\"atoms\":[7,8]}]}}","format":"ket","original_format":"unknown"} \ No newline at end of file diff --git a/core/indigo-core/layout/metalayout.h b/core/indigo-core/layout/metalayout.h index 0956f85033..884ffaa8e3 100644 --- a/core/indigo-core/layout/metalayout.h +++ b/core/indigo-core/layout/metalayout.h @@ -257,7 +257,7 @@ namespace indigo struct LayoutOptions { // FIXME: The value is 1.6 instead of 1.0 due to backward compatibility, needs to be refactored - static constexpr float DEFAULT_BOND_LENGTH = 1.6f; // default length of inter-chemical bonds + static constexpr float DEFAULT_BOND_LENGTH = 1.0f; // default length of inter-chemical bonds static constexpr float DEFAULT_PLUS_SIZE = DEFAULT_BOND_LENGTH / 2; static constexpr float DEFAULT_BOND_LENGTH_PX = 100.0f; // 100 pixel static constexpr float DEFAULT_FONT_SIZE_PX = DEFAULT_BOND_LENGTH_PX * 0.4f; diff --git a/data/molecules/basic/idt_mixed_std.ket b/data/molecules/basic/idt_mixed_std.ket index 015f0653dc..b5772f2c54 100644 --- a/data/molecules/basic/idt_mixed_std.ket +++ b/data/molecules/basic/idt_mixed_std.ket @@ -188,7 +188,7 @@ "seqid": 0, "position": { "x": 0.000000, - "y": -1.600000 + "y": -1.000000 }, "alias": "A", "templateId": "A___Adenine" @@ -198,7 +198,7 @@ "id": "2", "seqid": 0, "position": { - "x": 1.600000, + "x": 1.000000, "y": -0.000000 }, "alias": "P", @@ -209,7 +209,7 @@ "id": "3", "seqid": 1, "position": { - "x": 3.200000, + "x": 2.000000, "y": -0.000000 }, "alias": "dR", @@ -219,8 +219,8 @@ "type": "ambiguousMonomer", "id": "4", "position": { - "x": 3.200000, - "y": -1.600000 + "x": 2.000000, + "y": -1.000000 }, "seqid": 1, "alias": "R", @@ -231,7 +231,7 @@ "id": "5", "seqid": 1, "position": { - "x": 4.800000, + "x": 3.000000, "y": -0.000000 }, "alias": "P", @@ -242,7 +242,7 @@ "id": "6", "seqid": 2, "position": { - "x": 6.400000, + "x": 4.000000, "y": -0.000000 }, "alias": "dR", @@ -253,8 +253,8 @@ "id": "7", "seqid": 2, "position": { - "x": 6.400000, - "y": -1.600000 + "x": 4.000000, + "y": -1.000000 }, "alias": "A", "templateId": "A___Adenine" @@ -264,7 +264,7 @@ "id": "8", "seqid": 2, "position": { - "x": 8.000000, + "x": 5.000000, "y": -0.000000 }, "alias": "P", @@ -275,7 +275,7 @@ "id": "9", "seqid": 3, "position": { - "x": 9.600000, + "x": 6.000000, "y": -0.000000 }, "alias": "dR", @@ -285,8 +285,8 @@ "type": "ambiguousMonomer", "id": "10", "position": { - "x": 9.600000, - "y": -1.600000 + "x": 6.000000, + "y": -1.000000 }, "seqid": 3, "alias": "S", diff --git a/utils/indigo-service/backend/service/tests/api/indigo_test.py b/utils/indigo-service/backend/service/tests/api/indigo_test.py index 78c5d709af..26c1abb143 100644 --- a/utils/indigo-service/backend/service/tests/api/indigo_test.py +++ b/utils/indigo-service/backend/service/tests/api/indigo_test.py @@ -954,11 +954,11 @@ def test_layout(self): """ 6 6 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - -1.3856 -0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - -1.3856 -2.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 0.0000 -3.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 1.3856 -2.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 1.3856 -0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -0.8660 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -0.8660 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 0.0000 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 0.8660 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 0.8660 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 @@ -985,9 +985,9 @@ def test_layout_selective(self): self.assertEqual( """ 3 2 0 0 0 0 0 0 0 0999 V2000 - -1.3856 0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + -0.8660 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 1.3856 0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 0.8660 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 M END""", @@ -1095,12 +1095,12 @@ def test_layout_selective_reaction(self): -INDIGO-01000000002D 6 6 0 0 0 0 0 0 0 0999 V2000 - 2.1856 1.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 0.8000 0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 0.8000 -0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 2.1856 -1.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 3.5713 -0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 3.5713 0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1.3660 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 0.5000 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 0.5000 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1.3660 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 2.2321 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 2.2321 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 @@ -1113,18 +1113,18 @@ def test_layout_selective_reaction(self): -INDIGO-01000000002D 12 13 0 0 0 0 0 0 0 0999 V2000 - 7.5713 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 8.3713 1.3856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 9.9713 1.3856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 10.7713 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 9.9713 -1.3856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 8.3713 -1.3856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 12.3713 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 13.1713 1.3856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 14.7713 1.3856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 15.5713 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 14.7713 -1.3856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 13.1713 -1.3856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 4.7321 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 5.2321 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 6.2321 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 6.7321 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 6.2321 -0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 5.2321 -0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 7.7321 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.2321 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.2321 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.7321 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.2321 -0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.2321 -0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 @@ -1144,12 +1144,12 @@ def test_layout_selective_reaction(self): -INDIGO-01000000002D 6 6 0 0 0 0 0 0 0 0999 V2000 - 21.7569 1.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 20.3713 0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 20.3713 -0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 21.7569 -1.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 23.1426 -0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 - 23.1426 0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 13.5981 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 12.7321 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 12.7321 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 13.5981 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 14.4641 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 + 14.4641 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 diff --git a/utils/indigo-service/backend/service/tests/api/ref/dna_fasta_ref.ket b/utils/indigo-service/backend/service/tests/api/ref/dna_fasta_ref.ket index 43647fb84d..9fe5bc097b 100644 --- a/utils/indigo-service/backend/service/tests/api/ref/dna_fasta_ref.ket +++ b/utils/indigo-service/backend/service/tests/api/ref/dna_fasta_ref.ket @@ -1 +1 @@ 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diff --git a/utils/indigo-service/backend/service/tests/api/ref/helm_ambiguous.ket b/utils/indigo-service/backend/service/tests/api/ref/helm_ambiguous.ket index 7731afc320..85c80d6dfc 100644 --- a/utils/indigo-service/backend/service/tests/api/ref/helm_ambiguous.ket +++ b/utils/indigo-service/backend/service/tests/api/ref/helm_ambiguous.ket @@ -1 +1 @@ -{"root":{"nodes":[{"$ref":"ambiguousMonomer-0"},{"$ref":"ambiguousMonomer-1"}],"templates":[{"$ref":"monomerTemplate-D___Aspartic acid"},{"$ref":"monomerTemplate-N___Asparagine"},{"$ref":"monomerTemplate-I___Isoleucine"},{"$ref":"ambiguousMonomerTemplate-Var0"},{"$ref":"ambiguousMonomerTemplate-Var1"}]},"ambiguousMonomer-0":{"type":"ambiguousMonomer","id":"0","position":{"x":0.000000,"y":-0.000000},"seqid":1,"alias":"Var0","templateId":"Var0"},"ambiguousMonomer-1":{"type":"ambiguousMonomer","id":"1","position":{"x":0.000000,"y":-1.600000},"seqid":2,"alias":"Var1","templateId":"Var1"},"monomerTemplate-D___Aspartic 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diff --git a/utils/indigo-service/backend/service/tests/api/ref/rna_fasta_ref.ket b/utils/indigo-service/backend/service/tests/api/ref/rna_fasta_ref.ket index fc17e2d53e..7bd21ef734 100644 --- a/utils/indigo-service/backend/service/tests/api/ref/rna_fasta_ref.ket +++ b/utils/indigo-service/backend/service/tests/api/ref/rna_fasta_ref.ket @@ -1 +1 @@ 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