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#2519 - The length of the arrow becomes 2 bonds after layout but should be 1 #5031

#2519 - The length of the arrow becomes 2 bonds after layout but should be 1

#2519 - The length of the arrow becomes 2 bonds after layout but should be 1 #5031

GitHub Actions / macos-13-x86_64-python_test_report failed Nov 17, 2024 in 0s

283 tests run, 277 passed, 0 skipped, 6 failed.

Annotations

Check failure on line 1 in api/c/tests/unit/tests/basic.cpp

See this annotation in the file changed.

@github-actions github-actions / macos-13-x86_64-python_test_report

basic.allenes

[FAILED]
Raw output
Diff:
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-    12.0000    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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-    10.4000    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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-    -4.0000    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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-    -4.0000   -1.3856    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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-     0.0000    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
-    -1.3856    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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-    -2.7713    0.0000    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
-    -4.1569   -0.8000    0.0000 N   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
-     4.1569   -0.8000    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

Check failure on line 1 in api/c/tests/unit/tests/formats.cpp

See this annotation in the file changed.

@github-actions github-actions / macos-13-x86_64-python_test_report

formats.retrosynthetic_arrow_to_cdx

[FAILED]
Raw output
Diff:
- ket_retro_arrow.b64cdx:SUCCEED
+ ket_retro_arrow.b64cdx:FAILED
+ --- 
+ +++ 
+ @@ -1 +1 @@
+ -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
+ +VmpDRDAxMDAEAwIBAAAAAAAAAAAAAAAAAAAAAAUIBAAAAB4AGggCAAMAGwgCAAQAAAEkAAAAAgACAOn9BQBBcmlhbAMA6f0PAFRpbWVzIE5ldyBSb21hbgADMgAIAP///////wAAAAAAAP//AAAAAP////8AAAAA//8AAAAA/////wAAAAD/////AAD//wGAAAAAABAIAgABAA8IAgABAAOABAAAAASABQAAAAACCAAAgBYAEvsoAAAABIAGAAAAAAIIAACA+P8S+ygAAAAEgAcAAAAAAggAAIDp/wAADwAAAASACAAAAAIEAgAHACsEAgACAAACCAAAgOn/JvZCAAaAAAAAAAACCAAAgOn/JvZCACMIAQAAAAcZAAIAAAADAGAAyAAAAAIAAwAgAMgAAABOSDIAAAAABYAQAAAABAYEAAUAAAAFBgQABgAAAAAABYARAAAABAYEAAYAAAAFBgQABwAAAAAABYASAAAABAYEAAYAAAAFBgQACAAAAAAAAAADgAkAAAAEgAoAAAACBAIACAArBAIAAQAAAggAAID4/yf2nAAGgAAAAAAAAggAAID4/yf2nAAjCAEAAAAHDgABAAAAAwBgAMgAAABPSAAAAAAEgAsAAAAAAggAAIAHADnxtgAAAASADAAAAAIEAgAIACsEAgABAAACCAAAgPj/TezQAAaAAAAAAAACCAAAgPj/TezQACMIAQAAAAcOAAEAAAADAGAAyAAAAE9IAAAAAAWAEwAAAAQGBAAKAAAABQYEAAsAAAAAAAWAFAAAAAQGBAALAAAABQYEAAwAAAAAAAAAIYANAAAABAIQAAAAAAAm9n4AAAAAACb2YAA3CgIAAAA1CgIAAgAvCgIAAwAgCgIAWAIwCgIAWAIxCgIAlgAzCgIAWAIHAgwAJvZ+AAAAAAAAAAAACAIMACb2YAAAAAAAAAAAAAAAB4AVAAAAEwAEAA0AAAAACgIAAQACCgIAIAAgCgIAWAIEAhAAAAAAACb2fgAAAAAAJvZgAAAADYAAAAAADoAAAAAAAQwEAAQAAAACDAQACQAAAAQMBAAVAAAAAAAAAAAAAAAAAA==

Check failure on line 1 in api/c/tests/unit/tests/formats.cpp

See this annotation in the file changed.

@github-actions github-actions / macos-13-x86_64-python_test_report

formats.retrosynthetic_arrow_to_cdxml

[FAILED]
Raw output
Diff:
- ket_retro_arrow.cdxml:SUCCEED
+ ket_retro_arrow.cdxml:FAILED
+ --- 
+ +++ 
+ @@ -18,11 +18,11 @@
+      </colortable>
+      <page HeightPages="1" WidthPages="1">
+          <fragment id="4">
+ -            <n id="5" p="65.569229 36.000000"/>
+ -            <n id="6" p="65.569229 -12.000000"/>
+ -            <n id="7" p="24.000000 -36.000000"/>
+ -            <n id="8" Element="7" NumHydrogens="2" p="107.138428 -36.000000">
+ -                <t p="107.138428 -36.000000" LabelJustification="Left">
+ +            <n id="5" p="40.980751 22.500000"/>
+ +            <n id="6" p="40.980751 -7.500000"/>
+ +            <n id="7" p="15.000000 -22.500000"/>
+ +            <n id="8" Element="7" NumHydrogens="2" p="66.961525 -22.500000">
+ +                <t p="66.961525 -22.500000" LabelJustification="Left">
+                      <s font="3" size="10" face="96">NH</s>
+                      <s font="3" size="10" face="32">2</s>
+                  </t>
+ @@ -32,22 +32,22 @@
+              <b id="18" B="6" E="8"/>
+          </fragment>
+          <fragment id="9">
+ -            <n id="10" Element="8" NumHydrogens="1" p="251.138443 -12.000000">
+ -                <t p="251.138443 -12.000000" LabelJustification="Left">
+ +            <n id="10" Element="8" NumHydrogens="1" p="156.961533 -7.500000">
+ +                <t p="156.961533 -7.500000" LabelJustification="Left">
+                      <s font="3" size="10" face="96">OH</s>
+                  </t>
+              </n>
+ -            <n id="11" p="292.707642 12.000000"/>
+ -            <n id="12" Element="8" NumHydrogens="1" p="334.276886 -12.000000">
+ -                <t p="334.276886 -12.000000" LabelJustification="Left">
+ +            <n id="11" p="182.942276 7.500000"/>
+ +            <n id="12" Element="8" NumHydrogens="1" p="208.923050 -7.500000">
+ +                <t p="208.923050 -7.500000" LabelJustification="Left">
+                      <s font="3" size="10" face="96">OH</s>
+                  </t>
+              </n>
+              <b id="19" B="10" E="11"/>
+              <b id="20" B="11" E="12"/>
+          </fragment>
+ -        <arrow id="13" BoundingBox="203.138458 -0.000000 155.138428 -0.000000" FillType="None" ArrowheadHead="Full" ArrowheadType="Angle" HeadSize="600" ArrowheadCenterSize="600" ArrowheadWidth="150" ArrowShaftSpacing="600" Head3D="203.138458 -0.000000 0.000000" Tail3D="155.138428 -0.000000 0.000000"/>
+ -        <graphic id="21" SupersededBy="13" GraphicType="Line" ArrowType="RetroSynthetic" HeadSize="600" BoundingBox="203.138458 -0.000000 155.138428 -0.000000"/>
+ +        <arrow id="13" BoundingBox="126.961525 -0.000000 96.961525 -0.000000" FillType="None" ArrowheadHead="Full" ArrowheadType="Angle" HeadSize="600" ArrowheadCenterSize="600" ArrowheadWidth="150" ArrowShaftSpacing="600" Head3D="126.961525 -0.000000 0.000000" Tail3D="96.961525 -0.000000 0.000000"/>
+ +        <graphic id="21" SupersededBy="13" GraphicType="Line" ArrowType="RetroSynthetic" HeadSize="600" BoundingBox="126.961525 -0.000000 96.961525 -0.000000"/>
+          <scheme>
+              <step ReactionStepReactants="4" ReactionStepProducts="9" ReactionStepArrows="21"/>
+          </scheme>

Check failure on line 1 in api/c/tests/unit/tests/layout.cpp

See this annotation in the file changed.

@github-actions github-actions / macos-13-x86_64-python_test_report

layout.macrocycles

[FAILED]
Raw output
Diff:
-   Result: Success
+   Result: Error: atom #52 (C) contains delta 1.7320127652570805 > 0.01
+    atom #53 (O) contains delta 1.732088105584657 > 0.01
-   Result: Success
+   Result: Error: atom #38 (O) contains delta 1.1944666155697843 > 0.01
+    atom #39 (O) contains delta 1.1943806857637045 > 0.01
-   Result: Success
+   Result: Error: atom #106 (O) contains delta 1.7320708417387982 > 0.01
+    atom #107 (O) contains delta 1.7320744475830165 > 0.01

Check failure on line 1 in api/c/tests/unit/tests/layout.cpp

See this annotation in the file changed.

@github-actions github-actions / macos-13-x86_64-python_test_report

layout.selective_layout

[FAILED]
Raw output
Diff:
-   Result: Success
+   Result: Error: atom #0 (C) contains delta 8.010849722307336 > 0.01
+    atom #1 (C) contains delta 7.586066042718182 > 0.01
+    atom #2 (C) contains delta 7.153475960396709 > 0.01
+    atom #3 (C) contains delta 7.1708665751890255 > 0.01
+    atom #4 (C) contains delta 7.618835561444391 > 0.01
+    atom #5 (C) contains delta 8.02638368138715 > 0.01
+    atom #6 (C) contains delta 7.381999257139633 > 0.01
+    atom #7 (C) contains delta 8.148024993733586 > 0.01
+    atom #8 (C) contains delta 8.530328466334264 > 0.01
+    atom #9 (C) contains delta 8.472500863464928 > 0.01
+    atom #10 (C) contains delta 8.252854237388801 > 0.01
+    atom #11 (C) contains delta 8.729552874006057 > 0.01
+    atom #12 (C) contains delta 9.087424598042775 > 0.01
+    atom #13 (C) contains delta 9.347023929630085 > 0.01
+    atom #14 (C) contains delta 9.973292785419387 > 0.01
+    atom #15 (C) contains delta 8.92218719130407 > 0.01
+    atom #16 (C) contains delta 8.599910789420374 > 0.01
+    atom #17 (C) contains delta 8.786376727843582 > 0.01
+    atom #18 (C) contains delta 9.278506107676673 > 0.01
+    atom #19 (C) contains delta 9.577976523299416 > 0.01
+    atom #20 (C) contains delta 9.577698502740303 > 0.01
+    atom #21 (C) contains delta 10.043178657366628 > 0.01
+    atom #22 (C) contains delta 10.043411977808873 > 0.01
+    atom #23 (C) contains delta 8.335271347755889 > 0.01
+    atom #24 (C) contains delta 8.30681314488914 > 0.01
+    atom #25 (C) contains delta 7.052441221319163 > 0.01
+    atom #26 (C) contains delta 7.713070970305749 > 0.01
+    atom #27 (C) contains delta 6.274938498800479 > 0.01
+    atom #28 (C) contains delta 9.077983721559649 > 0.01
+    atom #29 (C) contains delta 9.136789275041389 > 0.01
+    atom #30 (C) contains delta 9.886744967595805 > 0.01
+    atom #31 (C) contains delta 6.67714009132899 > 0.01
+    atom #32 (C) contains delta 6.477726248140253 > 0.01
+    atom #33 (C) contains delta 5.988235212942603 > 0.01
+    atom #34 (C) contains delta 5.828449871858409 > 0.01
+    atom #35 (C) contains delta 6.67651939917481 > 0.01
+    atom #36 (C) contains delta 6.700435333881509 > 0.01
+    atom #37 (C) contains delta 6.228636204829423 > 0.01
+    atom #38 (C) contains delta 6.358598672124434 > 0.01
+    atom #39 (C) contains delta 5.950768777397393 > 0.01
+    atom #40 (C) contains delta 6.174747467041016 > 0.01
+    atom #41 (C) contains delta 7.858474958736459 > 0.01
+    atom #42 (C) contains delta 7.661677051314467 > 0.01
+    atom #43 (C) contains delta 7.977695869607817 > 0.01
+    atom #44 (C) contains delta 8.923718169126879 > 0.01
+    atom #45 (C) contains delta 9.326790622130034 > 0.01
+    atom #46 (C) contains delta 9.776224153976292 > 0.01
+    atom #47 (C) contains delta 3.805023578618634 > 0.01
+    atom #48 (C) contains delta 3.325153750425928 > 0.01
+    atom #49 (C) contains delta 3.0818065231426184 > 0.01
+    atom #50 (C) contains delta 3.45757078390819 > 0.01
+    atom #51 (C) contains delta 3.8771601315366424 > 0.01
+    atom #52 (C) contains delta 3.947058042862683 > 0.01
+    atom #53 (C) contains delta 4.163313494114497 > 0.01
+    atom #54 (C) contains delta 4.258057708432868 > 0.01
+    atom #55 (C) contains delta 3.553761983770881 > 0.01
+    atom #56 (C) contains delta 4.015521253440592 > 0.01
+    atom #57 (C) contains delta 4.336532975781485 > 0.01
+    atom #58 (C) contains delta 3.063991407436412 > 0.01
+    atom #59 (C) contains delta 3.580824762796108 > 0.01
+    atom #60 (C) contains delta 4.030335358572369 > 0.01
+    atom #61 (C) contains delta 2.7944184540612436 > 0.01
+    atom #62 (C) contains delta 2.8852352939046204 > 0.01
+    atom #63 (C) contains delta 3.379814555044262 > 0.01
+    atom #64 (C) contains delta 4.256460544911681 > 0.01
+    atom #65 (C) contains delta 4.749392645411894 > 0.01
+    atom #66 (C) contains delta 4.824860633856735 > 0.01
+    atom #67 (C) contains delta 4.514444815595037 > 0.01
+    atom #68 (C) contains delta 3.855484962463379 > 0.01
-   Result: Success
+   Result: Error: atom #0 (C) contains delta 7.522546395870492 > 0.01
+    atom #1 (C) contains delta 7.134627650372504 > 0.01
+    atom #2 (C) contains delta 6.672835380927032 > 0.01
+    atom #3 (C) contains delta 6.620900123381698 > 0.01
+    atom #4 (C) contains delta 7.037194951348555 > 0.01
+    atom #5 (C) contains delta 7.476516065106385 > 0.01
+    atom #6 (C) contains delta 6.701685834869348 > 0.01
+    atom #7 (C) contains delta 7.4824972589928205 > 0.01
+    atom #8 (C) contains delta 7.897085391198487 > 0.01
+    atom #9 (C) contains delta 7.894251456652786 > 0.01
+    atom #10 (C) contains delta 7.534429013584645 > 0.01
+    atom #11 (C) contains delta 7.995229014499305 > 0.01
+    atom #12 (C) contains delta 8.384502337010648 > 0.01
+    atom #13 (C) contains delta 8.710747488173068 > 0.01
+    atom #14 (C) contains delta 9.196364059976032 > 0.01
+    atom #15 (C) contains delta 8.13869741011567 > 0.01
+    atom #16 (C) contains delta 7.7840501567462965 > 0.01
+    atom #17 (C) contains delta 7.930655123356356 > 0.01
+    atom #18 (C) contains delta 8.417012513520845 > 0.01
+    atom #19 (C) contains delta 8.74603100517303 > 0.01
+    atom #20 (C) contains delta 8.686462259935569 > 0.01
+    atom #21 (C) contains delta 9.162514825198489 > 0.01
+    atom #22 (C) contains delta 9.197414970516762 > 0.01
+    atom #23 (C) contains delta 7.464178701625216 > 0.01
+    atom #24 (C) contains delta 7.395810929582378 > 0.01
+    atom #25 (C) contains delta 6.15958260351784 > 0.01
+    atom #26 (C) contains delta 6.7198928897966965 > 0.01
+    atom #27 (C) contains delta 6.4338557274448736 > 0.01
+    atom #28 (C) contains delta 8.089103122585758 > 0.01
+    atom #29 (C) contains delta 8.207047458337376 > 0.01
+    atom #30 (C) contains delta 8.944722095597186 > 0.01
+    atom #31 (C) contains delta 6.127120101329548 > 0.01
+    atom #32 (C) contains delta 5.863098869239526 > 0.01
+    atom #33 (C) contains delta 5.36808735979673 > 0.01
+    atom #34 (C) contains delta 5.136712850977647 > 0.01
+    atom #35 (C) contains delta 6.220729601806748 > 0.01
+    atom #36 (C) contains delta 6.4468941305934475 > 0.01
+    atom #37 (C) contains delta 5.7709891586649285 > 0.01
+    atom #38 (C) contains delta 4.856320280967943 > 0.01
+    atom #39 (C) contains delta 5.42042582020476 > 0.01
+    atom #40 (C) contains delta 5.527400016784668 > 0.01
+    atom #41 (C) contains delta 7.460063941027191 > 0.01
+    atom #42 (C) contains delta 7.326871732143325 > 0.01
+    atom #43 (C) contains delta 7.692060757004834 > 0.01
+    atom #44 (C) contains delta 8.320468730446203 > 0.01
+    atom #45 (C) contains delta 8.751370020824204 > 0.01
+    atom #46 (C) contains delta 9.177830691723903 > 0.01
+    atom #47 (C) contains delta 3.199931234337189 > 0.01
+    atom #48 (C) contains delta 2.7741029768667556 > 0.01
+    atom #49 (C) contains delta 2.4085786164086094 > 0.01
+    atom #50 (C) contains delta 2.678392594477161 > 0.01
+    atom #51 (C) contains delta 3.149016263184747 > 0.01
+    atom #52 (C) contains delta 3.09332844617932 > 0.01
+    atom #53 (C) contains delta 3.299271687013635 > 0.01
+    atom #54 (C) contains delta 3.4540206948040026 > 0.01
+    atom #55 (C) contains delta 2.575864221804178 > 0.01
+    atom #56 (C) contains delta 3.0075619601260413 > 0.01
+    atom #57 (C) contains delta 3.3752066140081114 > 0.01
+    atom #58 (C) contains delta 2.1056053655237896 > 0.01
+    atom #59 (C) contains delta 2.507277947229006 > 0.01
+    atom #60 (C) contains delta 2.9714536408413132 > 0.01
+    atom #61 (C) contains delta 1.7400161142468438 > 0.01
+    atom #62 (C) contains delta 1.791293660785291 > 0.01
+    atom #63 (C) contains delta 2.2852929832119653 > 0.01
+    atom #64 (C) contains delta 3.6875599060241147 > 0.01
+    atom #65 (C) contains delta 3.9481900042013427 > 0.01
+    atom #66 (C) contains delta 3.849312270353857 > 0.01
+    atom #67 (C) contains delta 3.4469271784953173 > 0.01
+    atom #68 (C) contains delta 2.7597999572753906 > 0.01
-   Result: Success
+   Result: Error: atom #0 (C) contains delta 7.776372706231181 > 0.01
+    atom #1 (C) contains delta 7.255944544885998 > 0.01
+    atom #2 (C) contains delta 6.737391945455753 > 0.01
+    atom #3 (C) contains delta 6.779424343889273 > 0.01
+    atom #4 (C) contains delta 7.333794831698814 > 0.01
+    atom #5 (C) contains delta 7.812731164063419 > 0.01
+    atom #6 (C) contains delta 7.445228436416407 > 0.01
+    atom #7 (C) contains delta 8.020939092305548 > 0.01
+    atom #8 (C) contains delta 8.461133229445082 > 0.01
+    atom #9 (C) contains delta 8.363176500577952 > 0.01
+    atom #10 (C) contains delta 8.18922728379757 > 0.01
+    atom #11 (C) contains delta 8.77760936106702 > 0.01
+    atom #12 (C) contains delta 9.18158520501632 > 0.01
+    atom #13 (C) contains delta 9.031883468973943 > 0.01
+    atom #14 (C) contains delta 10.023468344464996 > 0.01
+    atom #15 (C) contains delta 8.972962906932 > 0.01
+    atom #16 (C) contains delta 8.65257791866078 > 0.01
+    atom #17 (C) contains delta 8.84131148441813 > 0.01
+    atom #18 (C) contains delta 9.333672268665477 > 0.01
+    atom #19 (C) contains delta 9.631427553044066 > 0.01
+    atom #20 (C) contains delta 9.634392714115066 > 0.01
+    atom #21 (C) contains delta 10.099303404067868 > 0.01
+    atom #22 (C) contains delta 10.097491694296876 > 0.01
+    atom #23 (C) contains delta 8.391149990351558 > 0.01
+    atom #24 (C) contains delta 8.364897930340552 > 0.01
+    atom #25 (C) contains delta 7.1098068471071105 > 0.01
+    atom #26 (C) contains delta 7.7756158023347925 > 0.01
+    atom #27 (C) contains delta 6.3379554218720635 > 0.01
+    atom #28 (C) contains delta 9.140248675302109 > 0.01
+    atom #29 (C) contains delta 9.195695086212952 > 0.01
+    atom #30 (C) contains delta 9.946332734531026 > 0.01
+    atom #31 (C) contains delta 6.307491620556571 > 0.01
+    atom #32 (C) contains delta 5.74815822020021 > 0.01
+    atom #33 (C) contains delta 5.286418632702888 > 0.01
+    atom #34 (C) contains delta 4.720488967764466 > 0.01
+    atom #35 (C) contains delta 6.216805162102074 > 0.01
+    atom #36 (C) contains delta 6.257921938344229 > 0.01
+    atom #37 (C) contains delta 5.7877375029967295 > 0.01
+    atom #38 (C) contains delta 5.923645791756975 > 0.01
+    atom #39 (C) contains delta 5.5232394137247125 > 0.01
+    atom #40 (C) contains delta 5.760102272033691 > 0.01
+    atom #41 (C) contains delta 7.291081852470191 > 0.01
+    atom #42 (C) contains delta 7.84186069964261 > 0.01
+    atom #43 (C) contains delta 7.9427604614403196 > 0.01
+    atom #44 (C) contains delta 8.847465180431746 > 0.01
+    atom #45 (C) contains delta 8.81533515332706 > 0.01
+    atom #46 (C) contains delta 9.33407744238363 > 0.01
+    atom #47 (C) contains delta 3.849725813692525 > 0.01
+    atom #48 (C) contains delta 3.368139296848328 > 0.01
+    atom #49 (C) contains delta 3.131461955709985 > 0.01
+    atom #50 (C) contains delta 3.5115010763743837 > 0.01
+    atom #51 (C) contains delta 3.928052933412031 > 0.01
+    atom #52 (C) contains delta 4.004009593216346 > 0.01
+    atom #53 (C) contains delta 4.220567122485312 > 0.01
+    atom #54 (C) contains delta 4.312273541721205 > 0.01
+    atom #55 (C) contains delta 3.616673880292839 > 0.01
+    atom #56 (C) contains delta 4.079562329925488 > 0.01
+    atom #57 (C) contains delta 4.398356766415418 > 0.01
+    atom #58 (C) contains delta 3.1264402415508785 > 0.01
+    atom #59 (C) contains delta 3.647981395001249 > 0.01
+    atom #60 (C) contains delta 4.096684784555632 > 0.01
+    atom #61 (C) contains delta 2.860874404558662 > 0.01
+    atom #62 (C) contains delta 2.9532686088551916 > 0.01
+    atom #63 (C) contains delta 3.447864659561827 > 0.01
+    atom #64 (C) contains delta 4.298495341726117 > 0.01
+    atom #65 (C) contains delta 4.802946773839702 > 0.01
+    atom #66 (C) contains delta 4.887078708058276 > 0.01
+    atom #67 (C) contains delta 4.5811289234112715 > 0.01
+    atom #68 (C) contains delta 3.9234848022460938 > 0.01
-   Result: Success
+   Result: Error: atom #0 (C) contains delta 7.522546395870492 > 0.01
+    atom #1 (C) contains delta 7.134627650372504 > 0.01
+    atom #2 (C) contains delta 6.672835380927032 > 0.01
+    atom #3 (C) contains delta 6.620900123381698 > 0.01
+    atom #4 (C) contains delta 7.037194951348555 > 0.01
+    atom #5 (C) contains delta 7.476516065106385 > 0.01
+    atom #6 (C) contains delta 6.701685834869348 > 0.01
+    atom #7 (C) contains delta 7.4824972589928205 > 0.01
+    atom #8 (C) contains delta 7.897085391198487 > 0.01
+    atom #9 (C) contains delta 7.894251456652786 > 0.01
+    atom #10 (C) contains delta 7.534429013584645 > 0.01
+    atom #11 (C) contains delta 7.995229014499305 > 0.01
+    atom #12 (C) contains delta 8.384502337010648 > 0.01
+    atom #13 (C) contains delta 8.710747488173068 > 0.01
+    atom #14 (C) contains delta 9.196364059976032 > 0.01
+    atom #15 (C) contains delta 8.13869741011567 > 0.01
+    atom #16 (C) contains delta 7.7840501567462965 > 0.01
+    atom #17 (C) contains delta 7.930655123356356 > 0.01
+    atom #18 (C) contains delta 8.417012513520845 > 0.01
+    atom #19 (C) contains delta 8.74603100517303 > 0.01
+    atom #20 (C) contains delta 8.686462259935569 > 0.01
+    atom #21 (C) contains delta 9.162514825198489 > 0.01
+    atom #22 (C) contains delta 9.197414970516762 > 0.01
+    atom #23 (C) contains delta 7.464178701625216 > 0.01
+    atom #24 (C) contains delta 7.395810929582378 > 0.01
+    atom #25 (C) contains delta 6.8051543812241535 > 0.01
+    atom #26 (C) contains delta 6.629382171140751 > 0.01
+    atom #27 (C) contains delta 6.053111197494374 > 0.01
+    atom #28 (C) contains delta 8.089103122585758 > 0.01
+    atom #29 (C) contains delta 8.207047458337376 > 0.01
+    atom #30 (C) contains delta 8.944722095597186 > 0.01
+    atom #31 (C) contains delta 6.127120101329548 > 0.01
+    atom #32 (C) contains delta 5.863098869239526 > 0.01
+    atom #33 (C) contains delta 5.36808735979673 > 0.01
+    atom #34 (C) contains delta 5.136712850977647 > 0.01
+    atom #35 (C) contains delta 6.220729601806748 > 0.01
+    atom #36 (C) contains delta 6.4468941305934475 > 0.01
+    atom #37 (C) contains delta 5.7709891586649285 > 0.01
+    atom #38 (C) contains delta 4.856320280967943 > 0.01
+    atom #39 (C) contains delta 5.42042582020476 > 0.01
+    atom #40 (C) contains delta 5.527400016784668 > 0.01
+    atom #41 (C) contains delta 7.460063941027191 > 0.01
+    atom #42 (C) contains delta 7.326871732143325 > 0.01
+    atom #43 (C) contains delta 7.692060757004834 > 0.01
+    atom #44 (C) contains delta 8.320468730446203 > 0.01
+    atom #45 (C) contains delta 8.751370020824204 > 0.01
+    atom #46 (C) contains delta 9.177830691723903 > 0.01
+    atom #47 (C) contains delta 3.199931234337189 > 0.01
+    atom #48 (C) contains delta 2.7741029768667556 > 0.01
+    atom #49 (C) contains delta 2.4085786164086094 > 0.01
+    atom #50 (C) contains delta 2.678392594477161 > 0.01
+    atom #51 (C) contains delta 3.149016263184747 > 0.01
+    atom #52 (C) contains delta 3.09332844617932 > 0.01
+    atom #53 (C) contains delta 3.299271687013635 > 0.01
+    atom #54 (C) contains delta 3.4540206948040026 > 0.01
+    atom #55 (C) contains delta 2.575864221804178 > 0.01
+    atom #56 (C) contains delta 3.0075619601260413 > 0.01
+    atom #57 (C) contains delta 3.3752066140081114 > 0.01
+    atom #58 (C) contains delta 2.1056053655237896 > 0.01
+    atom #59 (C) contains delta 2.507277947229006 > 0.01
+    atom #60 (C) contains delta 2.9714536408413132 > 0.01
+    atom #61 (C) contains delta 1.7400161142468438 > 0.01
+    atom #62 (C) contains delta 1.791293660785291 > 0.01
+    atom #63 (C) contains delta 2.2852929832119653 > 0.01
+    atom #64 (C) contains delta 3.6875599060241147 > 0.01
+    atom #65 (C) contains delta 3.9481900042013427 > 0.01
+    atom #66 (C) contains delta 3.849312270353857 > 0.01
+    atom #67 (C) contains delta 3.4469271784953173 > 0.01
+    atom #68 (C) contains delta 2.7597999572753906 > 0.01
-   Result: Success
+   Result: Error: atom #0 (C) contains delta 7.522546395870492 > 0.01
+    atom #1 (C) contains delta 7.134627650372504 > 0.01
+    atom #2 (C) contains delta 6.672835380927032 > 0.01
+    atom #3 (C) contains delta 6.620900123381698 > 0.01
+    atom #4 (C) contains delta 7.037194951348555 > 0.01
+    atom #5 (C) contains delta 7.476516065106385 > 0.01
+    atom #6 (C) contains delta 6.701685834869348 > 0.01
+    atom #7 (C) contains delta 7.4824972589928205 > 0.01
+    atom #8 (C) contains delta 7.897085391198487 > 0.01
+    atom #9 (C) contains delta 7.894251456652786 > 0.01
+    atom #10 (C) contains delta 7.534429013584645 > 0.01
+    atom #11 (C) contains delta 7.995229014499305 > 0.01
+    atom #12 (C) contains delta 8.384502337010648 > 0.01
+    atom #13 (C) contains delta 8.710747488173068 > 0.01
+    atom #14 (C) contains delta 7.741952185908934 > 0.01
+    atom #15 (C) contains delta 8.13869741011567 > 0.01
+    atom #16 (C) contains delta 8.724386651739586 > 0.01
+    atom #17 (C) contains delta 8.926847762950011 > 0.01
+    atom #18 (C) contains delta 8.566550074371824 > 0.01
+    atom #19 (C) contains delta 7.969345865357918 > 0.01
+    atom #20 (C) contains delta 8.718118896217787 > 0.01
+    atom #21 (C) contains delta 8.230875631174593 > 0.01
+    atom #22 (C) contains delta 7.747582127412527 > 0.01
+    atom #23 (C) contains delta 9.520784099153582 > 0.01
+    atom #24 (C) contains delta 9.76205303664639 > 0.01
+    atom #25 (C) contains delta 9.433766540043385 > 0.01
+    atom #26 (C) contains delta 9.732930041900737 > 0.01
+    atom #27 (C) contains delta 9.460874837698624 > 0.01
+    atom #28 (C) contains delta 10.360235047788233 > 0.01
+    atom #29 (C) contains delta 10.633342973302735 > 0.01
+    atom #30 (C) contains delta 11.233208277560157 > 0.01
+    atom #31 (C) contains delta 6.127120101329548 > 0.01
+    atom #32 (C) contains delta 5.863098869239526 > 0.01
+    atom #33 (C) contains delta 5.36808735979673 > 0.01
+    atom #34 (C) contains delta 5.136712850977647 > 0.01
+    atom #35 (C) contains delta 6.220729601806748 > 0.01
+    atom #36 (C) contains delta 6.4468941305934475 > 0.01
+    atom #37 (C) contains delta 5.7709891586649285 > 0.01
+    atom #38 (C) contains delta 4.856320280967943 > 0.01
+    atom #39 (C) contains delta 5.42042582020476 > 0.01
+    atom #40 (C) contains delta 5.527400016784668 > 0.01
+    atom #41 (C) contains delta 7.460063941027191 > 0.01
+    atom #42 (C) contains delta 7.326871732143325 > 0.01
+    atom #43 (C) contains delta 7.692060757004834 > 0.01
+    atom #44 (C) contains delta 8.320468730446203 > 0.01
+    atom #45 (C) contains delta 8.751370020824204 > 0.01
+    atom #46 (C) contains delta 9.177830691723903 > 0.01
+    atom #47 (C) contains delta 3.199931234337189 > 0.01
+    atom #48 (C) contains delta 2.7741029768667556 > 0.01
+    atom #49 (C) contains delta 2.4085786164086094 > 0.01
+    atom #50 (C) contains delta 2.678392594477161 > 0.01
+    atom #51 (C) contains delta 3.149016263184747 > 0.01
+    atom #52 (C) contains delta 3.09332844617932 > 0.01
+    atom #53 (C) contains delta 3.299271687013635 > 0.01
+    atom #54 (C) contains delta 3.4540206948040026 > 0.01
+    atom #55 (C) contains delta 2.575864221804178 > 0.01
+    atom #56 (C) contains delta 3.0075619601260413 > 0.01
+    atom #57 (C) contains delta 3.3752066140081114 > 0.01
+    atom #58 (C) contains delta 2.1056053655237896 > 0.01
+    atom #59 (C) contains delta 2.507277947229006 > 0.01
+    atom #60 (C) contains delta 2.9714536408413132 > 0.01
+    atom #61 (C) contains delta 1.7400161142468438 > 0.01
+    atom #62 (C) contains delta 1.791293660785291 > 0.01
+    atom #63 (C) contains delta 2.2852929832119653 > 0.01
+    atom #64 (C) contains delta 3.6875599060241147 > 0.01
+    atom #65 (C) contains delta 3.9481900042013427 > 0.01
+    atom #66 (C) contains delta 3.849312270353857 > 0.01
+    atom #67 (C) contains delta 3.4469271784953173 > 0.01
+    atom #68 (C) contains delta 2.7597999572753906 > 0.01
-   Result: Success
+   Result: Error: atom #0 (C) contains delta 8.626133249255895 > 0.01
+    atom #1 (C) contains delta 8.254601596960038 > 0.01
+    atom #2 (C) contains delta 7.7839800513597215 > 0.01
+    atom #3 (C) contains delta 7.701556379380719 > 0.01
+    atom #4 (C) contains delta 8.09850147881076 > 0.01
+    atom #5 (C) contains delta 8.55183186731762 > 0.01
+    atom #6 (C) contains delta 7.703492599760037 > 0.01
+    atom #7 (C) contains delta 8.488308350304525 > 0.01
+    atom #8 (C) contains delta 8.921854949997996 > 0.01
+    atom #9 (C) contains delta 8.95213412163928 > 0.01
+    atom #10 (C) contains delta 8.499721923788456 > 0.01
+    atom #11 (C) contains delta 8.943561953344204 > 0.01
+    atom #12 (C) contains delta 9.356036421063154 > 0.01
+    atom #13 (C) contains delta 9.728805590175629 > 0.01
+    atom #14 (C) contains delta 10.097062554940708 > 0.01
+    atom #15 (C) contains delta 9.040464655755992 > 0.01
+    atom #16 (C) contains delta 8.655120957648165 > 0.01
+    atom #17 (C) contains delta 8.753799855401894 > 0.01
+    atom #18 (C) contains delta 9.228530847407129 > 0.01
+    atom #19 (C) contains delta 9.590863569147347 > 0.01
+    atom #20 (C) contains delta 9.455796643115507 > 0.01
+    atom #21 (C) contains delta 9.942701876085955 > 0.01
+    atom #22 (C) contains delta 10.022289893887503 > 0.01
+    atom #23 (C) contains delta 8.272407549265202 > 0.01
+    atom #24 (C) contains delta 8.148732339074373 > 0.01
+    atom #25 (C) contains delta 6.955268019659717 > 0.01
+    atom #26 (C) contains delta 7.331638622118756 > 0.01
+    atom #27 (C) contains delta 5.903552822054762 > 0.01
+    atom #28 (C) contains delta 8.693011355853553 > 0.01
+    atom #29 (C) contains delta 8.921800786797027 > 0.01
+    atom #30 (C) contains delta 9.631959883136107 > 0.01
+    atom #31 (C) contains delta 7.2114001157958345 > 0.01
+    atom #32 (C) contains delta 6.915465453109909 > 0.01
+    atom #33 (C) contains delta 6.4225487520369 > 0.01
+    atom #34 (C) contains delta 6.14846624091085 > 0.01
+    atom #35 (C) contains delta 7.343871969841404 > 0.01
+    atom #36 (C) contains delta 7.619184701574432 > 0.01
+    atom #37 (C) contains delta 6.929208475080921 > 0.01
+    atom #38 (C) contains delta 6.028720653105699 > 0.01
+    atom #39 (C) contains delta 6.600400535444934 > 0.01
+    atom #40 (C) contains delta 6.711162567138672 > 0.01
+    atom #41 (C) contains delta 8.596688251207093 > 0.01
+    atom #42 (C) contains delta 8.481364528394524 > 0.01
+    atom #43 (C) contains delta 8.856255001005465 > 0.01
+    atom #44 (C) contains delta 9.36149895161907 > 0.01
+    atom #45 (C) contains delta 9.80642030849857 > 0.01
+    atom #46 (C) contains delta 10.217530268353519 > 0.01
+    atom #47 (C) contains delta 4.297533219858219 > 0.01
+    atom #48 (C) contains delta 3.940364482093856 > 0.01
+    atom #49 (C) contains delta 3.364714975140342 > 0.01
+    atom #50 (C) contains delta 3.4153720580241127 > 0.01
+    atom #51 (C) contains delta 4.010266271468968 > 0.01
+    atom #52 (C) contains delta 3.1970291655646776 > 0.01
+    atom #53 (C) contains delta 3.70761059665701 > 0.01
+    atom #54 (C) contains delta 4.167599211374743 > 0.01
+    atom #55 (C) contains delta 2.7460931946916243 > 0.01
+    atom #56 (C) contains delta 3.067575002705059 > 0.01
+    atom #57 (C) contains delta 3.6393905422451147 > 0.01
+    atom #58 (C) contains delta 2.1560353446255234 > 0.01
+    atom #59 (C) contains delta 2.1747949043464945 > 0.01
+    atom #60 (C) contains delta 2.7699212668743147 > 0.01
+    atom #61 (C) contains delta 1.627430896668401 > 0.01
+    atom #62 (C) contains delta 1.2220738341989215 > 0.01
+    atom #63 (C) contains delta 1.6672326943515785 > 0.01
+    atom #64 (C) contains delta 4.791605599040328 > 0.01
+    atom #65 (C) contains delta 4.745166617680445 > 0.01
+    atom #66 (C) contains delta 4.12951563237447 > 0.01
+    atom #67 (C) contains delta 3.109652433515858 > 0.01
+    atom #68 (C) contains delta 1.785325288772583 > 0.01
-   Result: Success
+   Result: Error: atom #0 (C) contains delta 7.522546395870492 > 0.01
+    atom #1 (C) contains delta 7.134627650372504 > 0.01
+    atom #2 (C) contains delta 6.672835380927032 > 0.01
+    atom #3 (C) contains delta 6.620900123381698 > 0.01
+    atom #4 (C) contains delta 7.037194951348555 > 0.01
+    atom #5 (C) contains delta 7.476516065106385 > 0.01
+    atom #6 (C) contains delta 6.701685834869348 > 0.01
+    atom #7 (C) contains delta 7.4824972589928205 > 0.01
+    atom #8 (C) contains delta 7.897085391198487 > 0.01
+    atom #9 (C) contains delta 7.894251456652786 > 0.01
+    atom #10 (C) contains delta 7.534429013584645 > 0.01
+    atom #11 (C) contains delta 7.995229014499305 > 0.01
+    atom #12 (C) contains delta 8.384502337010648 > 0.01
+    atom #13 (C) contains delta 8.710747488173068 > 0.01
+    atom #14 (C) contains delta 9.196364059976032 > 0.01
+    atom #15 (C) contains delta 8.13869741011567 > 0.01
+    atom #16 (C) contains delta 7.7840501567462965 > 0.01
+    atom #17 (C) contains delta 7.930655123356356 > 0.01
+    atom #18 (C) contains delta 8.417012513520845 > 0.01
+    atom #19 (C) contains delta 8.74603100517303 > 0.01
+    atom #20 (C) contains delta 8.686462259935569 > 0.01
+    atom #21 (C) contains delta 9.162514825198489 > 0.01
+    atom #22 (C) contains delta 9.197414970516762 > 0.01
+    atom #23 (C) contains delta 7.464178701625216 > 0.01
+    atom #24 (C) contains delta 7.395810929582378 > 0.01
+    atom #25 (C) contains delta 6.15958260351784 > 0.01
+    atom #26 (C) contains delta 6.7198928897966965 > 0.01
+    atom #27 (C) contains delta 5.276505060376191 > 0.01
+    atom #28 (C) contains delta 8.089103122585758 > 0.01
+    atom #29 (C) contains delta 8.207047458337376 > 0.01
+    atom #30 (C) contains delta 8.944722095597186 > 0.01
+    atom #31 (C) contains delta 6.127120101329548 > 0.01
+    atom #32 (C) contains delta 5.863098869239526 > 0.01
+    atom #33 (C) contains delta 5.36808735979673 > 0.01
+    atom #34 (C) contains delta 5.136712850977647 > 0.01
+    atom #35 (C) contains delta 6.220729601806748 > 0.01
+    atom #36 (C) contains delta 6.4468941305934475 > 0.01
+    atom #37 (C) contains delta 5.7709891586649285 > 0.01
+    atom #38 (C) contains delta 4.856320280967943 > 0.01
+    atom #39 (C) contains delta 5.42042582020476 > 0.01
+    atom #40 (C) contains delta 5.527400016784668 > 0.01
+    atom #41 (C) contains delta 7.460063941027191 > 0.01
+    atom #42 (C) contains delta 7.326871732143325 > 0.01
+    atom #43 (C) contains delta 7.692060757004834 > 0.01
+    atom #44 (C) contains delta 8.320468730446203 > 0.01
+    atom #45 (C) contains delta 8.751370020824204 > 0.01
+    atom #46 (C) contains delta 9.177830691723903 > 0.01
+    atom #47 (C) contains delta 3.199931234337189 > 0.01
+    atom #48 (C) contains delta 2.7741029768667556 > 0.01
+    atom #49 (C) contains delta 2.4085786164086094 > 0.01
+    atom #50 (C) contains delta 2.678392594477161 > 0.01
+    atom #51 (C) contains delta 3.149016263184747 > 0.01
+    atom #52 (C) contains delta 3.09332844617932 > 0.01
+    atom #53 (C) contains delta 3.299271687013635 > 0.01
+    atom #54 (C) contains delta 3.4540206948040026 > 0.01
+    atom #55 (C) contains delta 2.575864221804178 > 0.01
+    atom #56 (C) contains delta 3.0075619601260413 > 0.01
+    atom #57 (C) contains delta 3.3752066140081114 > 0.01
+    atom #58 (C) contains delta 2.1056053655237896 > 0.01
+    atom #59 (C) contains delta 2.507277947229006 > 0.01
+    atom #60 (C) contains delta 2.9714536408413132 > 0.01
+    atom #61 (C) contains delta 1.7400161142468438 > 0.01
+    atom #62 (C) contains delta 1.791293660785291 > 0.01
+    atom #63 (C) contains delta 2.2852929832119653 > 0.01
+    atom #64 (C) contains delta 3.6875599060241147 > 0.01
+    atom #65 (C) contains delta 3.9481900042013427 > 0.01
+    atom #66 (C) contains delta 3.849312270353857 > 0.01
+    atom #67 (C) contains delta 3.477844411122962 > 0.01
+    atom #68 (C) contains delta 2.7597999572753906 > 0.01
-   Result: Success
+   Result: Error: atom #0 (C) contains delta 8.577631416401308 > 0.01
+    atom #1 (C) contains delta 8.127747661354013 > 0.01
+    atom #2 (C) contains delta 7.725548676834374 > 0.01
+    atom #3 (C) contains delta 7.798934214455612 > 0.01
+    atom #4 (C) contains delta 8.266732615422365 > 0.01
+    atom #5 (C) contains delta 8.643786659988558 > 0.01
+    atom #6 (C) contains delta 8.111015577413013 > 0.01
+    atom #7 (C) contains delta 8.857985962235757 > 0.01
+    atom #8 (C) contains delta 9.21086900092555 > 0.01
+    atom #9 (C) contains delta 9.108548642126843 > 0.01
+    atom #10 (C) contains delta 9.004079982355806 > 0.01
+    atom #11 (C) contains delta 9.489952983872467 > 0.01
+    atom #12 (C) contains delta 9.820152752434934 > 0.01
+    atom #13 (C) contains delta 10.023396373840317 > 0.01
+    atom #14 (C) contains delta 10.760721082169812 > 0.01
+    atom #15 (C) contains delta 9.7204559564691 > 0.01
+    atom #16 (C) contains delta 9.425513530358659 > 0.01
+    atom #17 (C) contains delta 9.642214364848703 > 0.01
+    atom #18 (C) contains delta 10.136705950080223 > 0.01
+    atom #19 (C) contains delta 10.411520840351484 > 0.01
+    atom #20 (C) contains delta 10.458111119048924 > 0.01
+    atom #21 (C) contains delta 10.913722625981238 > 0.01
+    atom #22 (C) contains delta 10.88622541218836 > 0.01
+    atom #23 (C) contains delta 9.205143430077136 > 0.01
+    atom #24 (C) contains delta 9.207335471145083 > 0.01
+    atom #25 (C) contains delta 7.945532518226243 > 0.01
+    atom #26 (C) contains delta 8.677048727895112 > 0.01
+    atom #27 (C) contains delta 7.247009853159184 > 0.01
+    atom #28 (C) contains delta 10.035580480610784 > 0.01
+    atom #29 (C) contains delta 10.048763616591811 > 0.01
+    atom #30 (C) contains delta 10.806216321873654 > 0.01
+    atom #31 (C) contains delta 7.312477866915436 > 0.01
+    atom #32 (C) contains delta 7.16679738712407 > 0.01
+    atom #33 (C) contains delta 6.68932685106812 > 0.01
+    atom #34 (C) contains delta 6.5858086330388845 > 0.01
+    atom #35 (C) contains delta 7.236152276999555 > 0.01
+    atom #36 (C) contains delta 7.090165434403081 > 0.01
+    atom #37 (C) contains delta 6.569272944054056 > 0.01
+    atom #38 (C) contains delta 6.051312740266514 > 0.01
+    atom #39 (C) contains delta 5.530267982659009 > 0.01
+    atom #40 (C) contains delta 5.012670178217435 > 0.01
+    atom #41 (C) contains delta 8.351861890727477 > 0.01
+    atom #42 (C) contains delta 8.103791454914882 > 0.01
+    atom #43 (C) contains delta 8.372565686847146 > 0.01
+    atom #44 (C) contains delta 9.57634324628476 > 0.01
+    atom #45 (C) contains delta 9.953021014632256 > 0.01
+    atom #46 (C) contains delta 10.418176998585873 > 0.01
+    atom #47 (C) contains delta 4.550897876342612 > 0.01
+    atom #48 (C) contains delta 4.056775331169305 > 0.01
+    atom #49 (C) contains delta 3.900773386449036 > 0.01
+    atom #50 (C) contains delta 4.3244912602702135 > 0.01
+    atom #51 (C) contains delta 4.700671809923257 > 0.01
+    atom #52 (C) contains delta 4.846740343866706 > 0.01
+    atom #53 (C) contains delta 5.065500900096299 > 0.01
+    atom #54 (C) contains delta 5.12083383241418 > 0.01
+    atom #55 (C) contains delta 4.5304377594913126 > 0.01
+    atom #56 (C) contains delta 5.004795881242305 > 0.01
+    atom #57 (C) contains delta 5.295904019836842 > 0.01
+    atom #58 (C) contains delta 4.0370478629064515 > 0.01
+    atom #59 (C) contains delta 4.607786787089448 > 0.01
+    atom #60 (C) contains delta 5.048138125900695 > 0.01
+    atom #61 (C) contains delta 3.815101580495278 > 0.01
+    atom #62 (C) contains delta 3.9227954655731114 > 0.01
+    atom #63 (C) contains delta 4.417557665782471 > 0.01
+    atom #64 (C) contains delta 4.961444941041762 > 0.01
+    atom #65 (C) contains delta 5.601395737813566 > 0.01
+    atom #66 (C) contains delta 5.788982985770329 > 0.01
+    atom #67 (C) contains delta 5.536075440781884 > 0.01
+    atom #68 (C) contains delta 4.893799781799316 > 0.01
+    atom #69 (C) contains delta 8.86625384753119 > 0.01
+    atom #70 (C) contains delta 9.15281360965336 > 0.01
+    atom #71 (C) contains delta 9.232106356402928 > 0.01
+    atom #72 (C) contains delta 8.480346135256879 > 0.01
+    atom #73 (C) contains delta 8.170236202139147 > 0.01
+    atom #74 (C) contains delta 8.324917820179671 > 0.01
+    atom #75 (C) contains delta 8.671958855359525 > 0.01
+    atom #76 (C) contains delta 9.149414115899608 > 0.01
+    atom #77 (C) contains delta 9.746631917152676 > 0.01
+    atom #78 (C) contains delta 8.333710657666668 > 0.01
+    atom #79 (C) contains delta 8.50073546642277 > 0.01
+    atom #80 (C) contains delta 8.200345893164888 > 0.01
+    atom #81 (C) contains delta 8.413827393453527 > 0.01
+    atom #82 (C) contains delta 8.155399322509766 > 0.01
-   Result: Success
+   Result: Error: atom #0 (C) contains delta 8.577631416401308 > 0.01
+    atom #1 (C) contains delta 8.127747661354013 > 0.01
+    atom #2 (C) contains delta 7.725548676834374 > 0.01
+    atom #3 (C) contains delta 7.798934214455612 > 0.01
+    atom #4 (C) contains delta 8.266732615422365 > 0.01
+    atom #5 (C) contains delta 8.643786659988558 > 0.01
+    atom #6 (C) contains delta 8.111015577413013 > 0.01
+    atom #7 (C) contains delta 8.857985962235757 > 0.01
+    atom #8 (C) contains delta 9.21086900092555 > 0.01
+    atom #9 (C) contains delta 9.108548642126843 > 0.01
+    atom #10 (C) contains delta 9.004079982355806 > 0.01
+    atom #11 (C) contains delta 9.489952983872467 > 0.01
+    atom #12 (C) contains delta 9.820152752434934 > 0.01
+    atom #13 (C) contains delta 10.023396373840317 > 0.01
+    atom #14 (C) contains delta 10.760721082169812 > 0.01
+    atom #15 (C) contains delta 9.7204559564691 > 0.01
+    atom #16 (C) contains delta 9.425513530358659 > 0.01
+    atom #17 (C) contains delta 9.642214364848703 > 0.01
+    atom #18 (C) contains delta 10.136705950080223 > 0.01
+    atom #19 (C) contains delta 10.411520840351484 > 0.01
+    atom #20 (C) contains delta 10.458111119048924 > 0.01
+    atom #21 (C) contains delta 10.913722625981238 > 0.01
+    atom #22 (C) contains delta 10.88622541218836 > 0.01
+    atom #23 (C) contains delta 9.205143430077136 > 0.01
+    atom #24 (C) contains delta 9.207335471145083 > 0.01
+    atom #25 (C) contains delta 7.945532518226243 > 0.01
+    atom #26 (C) contains delta 8.677048727895112 > 0.01
+    atom #27 (C) contains delta 8.447273044567849 > 0.01
+    atom #28 (C) contains delta 10.035580480610784 > 0.01
+    atom #29 (C) contains delta 10.048763616591811 > 0.01
+    atom #30 (C) contains delta 10.806216321873654 > 0.01
+    atom #31 (C) contains delta 7.312477866915436 > 0.01
+    atom #32 (C) contains delta 7.16679738712407 > 0.01
+    atom #33 (C) contains delta 6.68932685106812 > 0.01
+    atom #34 (C) contains delta 6.5858086330388845 > 0.01
+    atom #35 (C) contains delta 7.236152276999555 > 0.01
+    atom #36 (C) contains delta 7.090165434403081 > 0.01
+    atom #37 (C) contains delta 6.590413983806647 > 0.01
+    atom #38 (C) contains delta 5.597268203431375 > 0.01
+    atom #39 (C) contains delta 5.998001676526947 > 0.01
+    atom #40 (C) contains delta 5.9250406071704935 > 0.01
+    atom #41 (C) contains delta 8.351861890727477 > 0.01
+    atom #42 (C) contains delta 8.103791454914882 > 0.01
+    atom #43 (C) contains delta 8.372565686847146 > 0.01
+    atom #44 (C) contains delta 9.57634324628476 > 0.01
+    atom #45 (C) contains delta 9.953021014632256 > 0.01
+    atom #46 (C) contains delta 10.418176998585873 > 0.01
+    atom #47 (C) contains delta 4.550897876342612 > 0.01
+    atom #48 (C) contains delta 4.056775331169305 > 0.01
+    atom #49 (C) contains delta 3.900773386449036 > 0.01
+    atom #50 (C) contains delta 4.3244912602702135 > 0.01
+    atom #51 (C) contains delta 4.700671809923257 > 0.01
+    atom #52 (C) contains delta 4.846740343866706 > 0.01
+    atom #53 (C) contains delta 5.065500900096299 > 0.01
+    atom #54 (C) contains delta 5.12083383241418 > 0.01
+    atom #55 (C) contains delta 4.5304377594913126 > 0.01
+    atom #56 (C) contains delta 5.004795881242305 > 0.01
+    atom #57 (C) contains delta 5.295904019836842 > 0.01
+    atom #58 (C) contains delta 4.0370478629064515 > 0.01
+    atom #59 (C) contains delta 4.607786787089448 > 0.01
+    atom #60 (C) contains delta 5.048138125900695 > 0.01
+    atom #61 (C) contains delta 3.815101580495278 > 0.01
+    atom #62 (C) contains delta 3.9227954655731114 > 0.01
+    atom #63 (C) contains delta 4.417557665782471 > 0.01
+    atom #64 (C) contains delta 4.961444941041762 > 0.01
+    atom #65 (C) contains delta 5.601395737813566 > 0.01
+    atom #66 (C) contains delta 5.788982985770329 > 0.01
+    atom #67 (C) contains delta 5.536075440781884 > 0.01
+    atom #68 (C) contains delta 4.893799781799316 > 0.01
+    atom #69 (C) contains delta 8.86625384753119 > 0.01
+    atom #70 (C) contains delta 9.15281360965336 > 0.01
+    atom #71 (C) contains delta 9.232106356402928 > 0.01
+    atom #72 (C) contains delta 8.480346135256879 > 0.01
+    atom #73 (C) contains delta 8.170236202139147 > 0.01
+    atom #74 (C) contains delta 8.324917820179671 > 0.01
+    atom #75 (C) contains delta 8.671958855359525 > 0.01
+    atom #76 (C) contains delta 9.149414115899608 > 0.01
+    atom #77 (C) contains delta 9.746631917152676 > 0.01
+    atom #78 (C) contains delta 8.333710657666668 > 0.01
+    atom #79 (C) contains delta 8.50073546642277 > 0.01
+    atom #80 (C) contains delta 8.200345893164888 > 0.01
+    atom #81 (C) contains delta 8.413827393453527 > 0.01
+    atom #82 (C) contains delta 8.155399322509766 > 0.01
-   Result: Success
+   Result: Error: atom #0 (C) contains delta 8.982120821705058 > 0.01
+    atom #1 (C) contains delta 8.617574798319989 > 0.01
+    atom #2 (C) contains delta 8.020913467959678 > 0.01
+    atom #3 (C) contains delta 7.798934214455612 > 0.01
+    atom #4 (C) contains delta 8.199952955977299 > 0.01
+    atom #5 (C) contains delta 8.784461887084444 > 0.01
+    atom #6 (C) contains delta 8.050386907506 > 0.01
+    atom #7 (C) contains delta 8.503278278602329 > 0.01
+    atom #8 (C) contains delta 9.068192206917232 > 0.01
+    atom #9 (C) contains delta 9.201229189089878 > 0.01
+    atom #10 (C) contains delta 8.423419461635529 > 0.01
+    atom #11 (C) contains delta 8.917956161734708 > 0.01
+    atom #12 (C) contains delta 9.458204827364948 > 0.01
+    atom #13 (C) contains delta 9.52931939963103 > 0.01
+    atom #14 (C) contains delta 8.39118835902202 > 0.01
+    atom #15 (C) contains delta 8.902792550493992 > 0.01
+    atom #16 (C) contains delta 9.42956152267006 > 0.01
+    atom #17 (C) contains delta 9.47231924490018 > 0.01
+    atom #18 (C) contains delta 8.993163988353869 > 0.01
+    atom #19 (C) contains delta 8.439255286500886 > 0.01
+    atom #20 (C) contains delta 8.97286063144801 > 0.01
+    atom #21 (C) contains delta 8.404142525113205 > 0.01
+    atom #22 (C) contains delta 8.055268758093074 > 0.01
+    atom #23 (C) contains delta 10.023016269434583 > 0.01
+    atom #24 (C) contains delta 10.506578666981211 > 0.01
+    atom #25 (C) contains delta 10.467962865222871 > 0.01
+    atom #26 (C) contains delta 10.981152698864449 > 0.01
+    atom #27 (C) contains delta 10.99343919493343 > 0.01
+    atom #28 (C) contains delta 11.05462171716062 > 0.01
+    atom #29 (C) contains delta 11.541714815598846 > 0.01
+    atom #30 (C) contains delta 12.087497974569434 > 0.01
+    atom #31 (C) contains delta 7.312477866915436 > 0.01
+    atom #32 (C) contains delta 7.16679738712407 > 0.01
+    atom #33 (C) contains delta 6.68932685106812 > 0.01
+    atom #34 (C) contains delta 6.5858086330388845 > 0.01
+    atom #35 (C) contains delta 7.236152276999555 > 0.01
+    atom #36 (C) contains delta 7.090165434403081 > 0.01
+    atom #37 (C) contains delta 6.590413983806647 > 0.01
+    atom #38 (C) contains delta 5.597268203431375 > 0.01
+    atom #39 (C) contains delta 5.998001676526947 > 0.01
+    atom #40 (C) contains delta 5.9250406071704935 > 0.01
+    atom #41 (C) contains delta 8.351861890727477 > 0.01
+    atom #42 (C) contains delta 8.103791454914882 > 0.01
+    atom #43 (C) contains delta 8.372565686847146 > 0.01
+    atom #44 (C) contains delta 9.781127428577804 > 0.01
+    atom #45 (C) contains delta 10.21014466850769 > 0.01
+    atom #46 (C) contains delta 10.78580195782201 > 0.01
+    atom #47 (C) contains delta 4.550897876342612 > 0.01
+    atom #48 (C) contains delta 4.056775331169305 > 0.01
+    atom #49 (C) contains delta 3.900773386449036 > 0.01
+    atom #50 (C) contains delta 4.3244912602702135 > 0.01
+    atom #51 (C) contains delta 4.700671809923257 > 0.01
+    atom #52 (C) contains delta 4.846740343866706 > 0.01
+    atom #53 (C) contains delta 5.065500900096299 > 0.01
+    atom #54 (C) contains delta 5.12083383241418 > 0.01
+    atom #55 (C) contains delta 4.5304377594913126 > 0.01
+    atom #56 (C) contains delta 5.004795881242305 > 0.01
+    atom #57 (C) contains delta 5.295904019836842 > 0.01
+    atom #58 (C) contains delta 4.0370478629064515 > 0.01
+    atom #59 (C) contains delta 4.607786787089448 > 0.01
+    atom #60 (C) contains delta 5.048138125900695 > 0.01
+    atom #61 (C) contains delta 3.815101580495278 > 0.01
+    atom #62 (C) contains delta 3.9227954655731114 > 0.01
+    atom #63 (C) contains delta 4.417557665782471 > 0.01
+    atom #64 (C) contains delta 4.961444941041762 > 0.01
+    atom #65 (C) contains delta 5.601395737813566 > 0.01
+    atom #66 (C) contains delta 5.788982985770329 > 0.01
+    atom #67 (C) contains delta 5.536075440781884 > 0.01
+    atom #68 (C) contains delta 4.893799781799316 > 0.01
+    atom #69 (C) contains delta 8.86625384753119 > 0.01
+    atom #70 (C) contains delta 9.15281360965336 > 0.01
+    atom #71 (C) contains delta 9.232106356402928 > 0.01
+    atom #72 (C) contains delta 8.480346135256879 > 0.01
+    atom #73 (C) contains delta 8.170236202139147 > 0.01
+    atom #74 (C) contains delta 8.324917820179671 > 0.01
+    atom #75 (C) contains delta 8.671958855359525 > 0.01
+    atom #76 (C) contains delta 9.149414115899608 > 0.01
+    atom #77 (C) contains delta 9.746631917152676 > 0.01
+    atom #78 (C) contains delta 8.333710657666668 > 0.01
+    atom #79 (C) contains delta 8.50073546642277 > 0.01
+    atom #80 (C) contains delta 8.200345893164888 > 0.01
+    atom #81 (C) contains delta 8.413827393453527 > 0.01
+    atom #82 (C) contains delta 8.155399322509766 > 0.01
-   Result: Success
+   Result: Error: atom #0 (C) contains delta 8.577631416401308 > 0.01
+    atom #1 (C) contains delta 8.127747661354013 > 0.01
+    atom #2 (C) contains delta 7.725548676834374 > 0.01
+    atom #3 (C) contains delta 7.798934214455612 > 0.01
+    atom #4 (C) contains delta 8.266732615422365 > 0.01
+    atom #5 (C) contains delta 8.643786659988558 > 0.01
+    atom #6 (C) contains delta 8.111015577413013 > 0.01
+    atom #7 (C) contains delta 8.857985962235757 > 0.01
+    atom #8 (C) contains delta 9.21086900092555 > 0.01
+    atom #9 (C) contains delta 9.108548642126843 > 0.01
+    atom #10 (C) contains delta 9.004079982355806 > 0.01
+    atom #11 (C) contains delta 9.489952983872467 > 0.01
+    atom #12 (C) contains delta 9.820152752434934 > 0.01
+    atom #13 (C) contains delta 10.023396373840317 > 0.01
+    atom #14 (C) contains delta 10.760721082169812 > 0.01
+    atom #15 (C) contains delta 9.7204559564691 > 0.01
+    atom #16 (C) contains delta 9.425513530358659 > 0.01
+    atom #17 (C) contains delta 9.642214364848703 > 0.01
+    atom #18 (C) contains delta 10.136705950080223 > 0.01
+    atom #19 (C) contains delta 10.411520840351484 > 0.01
+    atom #20 (C) contains delta 10.458111119048924 > 0.01
+    atom #21 (C) contains delta 10.913722625981238 > 0.01
+    atom #22 (C) contains delta 10.88622541218836 > 0.01
+    atom #23 (C) contains delta 9.205143430077136 > 0.01
+    atom #24 (C) contains delta 9.207335471145083 > 0.01
+    atom #25 (C) contains delta 8.637112073291432 > 0.01
+    atom #26 (C) contains delta 8.540141763320598 > 0.01
+    atom #27 (C) contains delta 7.989863310522582 > 0.01
+    atom #28 (C) contains delta 10.035580480610784 > 0.01
+    atom #29 (C) contains delta 10.048763616591811 > 0.01
+    atom #30 (C) contains delta 10.806216321873654 > 0.01
+    atom #31 (C) contains delta 7.312477866915436 > 0.01
+    atom #32 (C) contains delta 7.16679738712407 > 0.01
+    atom #33 (C) contains delta 6.68932685106812 > 0.01
+    atom #34 (C) contains delta 6.5858086330388845 > 0.01
+    atom #35 (C) contains delta 7.236152276999555 > 0.01
+    atom #36 (C) contains delta 7.090165434403081 > 0.01
+    atom #37 (C) contains delta 6.590413983806647 > 0.01
+    atom #38 (C) contains delta 5.597268203431375 > 0.01
+    atom #39 (C) contains delta 5.998001676526947 > 0.01
+    atom #40 (C) contains delta 5.9250406071704935 > 0.01
+    atom #41 (C) contains delta 8.351861890727477 > 0.01
+    atom #42 (C) contains delta 8.103791454914882 > 0.01
+    atom #43 (C) contains delta 8.372565686847146 > 0.01
+    atom #44 (C) contains delta 9.57634324628476 > 0.01
+    atom #45 (C) contains delta 9.953021014632256 > 0.01
+    atom #46 (C) contains delta 10.418176998585873 > 0.01
+    atom #47 (C) contains delta 4.550897876342612 > 0.01
+    atom #48 (C) contains delta 4.056775331169305 > 0.01
+    atom #49 (C) contains delta 3.900773386449036 > 0.01
+    atom #50 (C) contains delta 4.3244912602702135 > 0.01
+    atom #51 (C) contains delta 4.700671809923257 > 0.01
+    atom #52 (C) contains delta 4.846740343866706 > 0.01
+    atom #53 (C) contains delta 5.065500900096299 > 0.01
+    atom #54 (C) contains delta 5.12083383241418 > 0.01
+    atom #55 (C) contains delta 4.5304377594913126 > 0.01
+    atom #56 (C) contains delta 5.004795881242305 > 0.01
+    atom #57 (C) contains delta 5.295904019836842 > 0.01
+    atom #58 (C) contains delta 4.0370478629064515 > 0.01
+    atom #59 (C) contains delta 4.607786787089448 > 0.01
+    atom #60 (C) contains delta 5.048138125900695 > 0.01
+    atom #61 (C) contains delta 3.815101580495278 > 0.01
+    atom #62 (C) contains delta 3.9227954655731114 > 0.01
+    atom #63 (C) contains delta 4.417557665782471 > 0.01
+    atom #64 (C) contains delta 4.961444941041762 > 0.01
+    atom #65 (C) contains delta 5.601395737813566 > 0.01
+    atom #66 (C) contains delta 5.788982985770329 > 0.01
+    atom #67 (C) contains delta 5.536075440781884 > 0.01
+    atom #68 (C) contains delta 4.893799781799316 > 0.01
+    atom #69 (C) contains delta 8.86625384753119 > 0.01
+    atom #70 (C) contains delta 9.15281360965336 > 0.01
+    atom #71 (C) contains delta 9.232106356402928 > 0.01
+    atom #72 (C) contains delta 8.480346135256879 > 0.01
+    atom #73 (C) contains delta 8.170236202139147 > 0.01
+    atom #74 (C) contains delta 8.324917820179671 > 0.01
+    atom #75 (C) contains delta 8.671958855359525 > 0.01
+    atom #76 (C) contains delta 9.149414115899608 > 0.01
+    atom #77 (C) contains delta 9.746631917152676 > 0.01
+    atom #78 (C) contains delta 8.333710657666668 > 0.01
+    atom #79 (C) contains delta 8.50073546642277 > 0.01
+    atom #80 (C) contains delta 8.200345893164888 > 0.01
+    atom #81 (C) contains delta 8.413827393453527 > 0.01
+    atom #82 (C) contains delta 8.155399322509766 > 0.01
-   Result: Success
+   Result: Error: atom #0 (C) contains delta 8.577631416401308 > 0.01
+    atom #1 (C) contains delta 8.127747661354013 > 0.01
+    atom #2 (C) contains delta 7.725548676834374 > 0.01
+    atom #3 (C) contains delta 7.798934214455612 > 0.01
+    atom #4 (C) contains delta 8.266732615422365 > 0.01
+    atom #5 (C) contains delta 8.643786659988558 > 0.01
+    atom #6 (C) contains delta 8.111015577413013 > 0.01
+    atom #7 (C) contains delta 8.857985962235757 > 0.01
+    atom #8 (C) contains delta 9.21086900092555 > 0.01
+    atom #9 (C) contains delta 9.108548642126843 > 0.01
+    atom #10 (C) contains delta 9.004079982355806 > 0.01
+    atom #11 (C) contains delta 9.489952983872467 > 0.01
+    atom #12 (C) contains delta 9.820152752434934 > 0.01
+    atom #13 (C) contains delta 10.023396373840317 > 0.01
+    atom #14 (C) contains delta 9.400178615898735 > 0.01
+    atom #15 (C) contains delta 9.7204559564691 > 0.01
+    atom #16 (C) contains delta 10.31920410835544 > 0.01
+    atom #17 (C) contains delta 10.600114759697592 > 0.01
+    atom #18 (C) contains delta 10.307153483064011 > 0.01
+    atom #19 (C) contains delta 9.707577882668279 > 0.01
+    atom #20 (C) contains delta 10.529638952184492 > 0.01
+    atom #21 (C) contains delta 10.086545225358645 > 0.01
+    atom #22 (C) contains delta 9.563378689294229 > 0.01
+    atom #23 (C) contains delta 11.200048955786245 > 0.01
+    atom #24 (C) contains delta 11.506283345102569 > 0.01
+    atom #25 (C) contains delta 11.237105108482083 > 0.01
+    atom #26 (C) contains delta 11.58904960605345 > 0.01
+    atom #27 (C) contains delta 11.36934713321914 > 0.01
+    atom #28 (C) contains delta 12.105992323388234 > 0.01
+    atom #29 (C) contains delta 12.433405264312146 > 0.01
+    atom #30 (C) contains delta 13.03189628143049 > 0.01
+    atom #31 (C) contains delta 7.312477866915436 > 0.01
+    atom #32 (C) contains delta 7.16679738712407 > 0.01
+    atom #33 (C) contains delta 6.68932685106812 > 0.01
+    atom #34 (C) contains delta 6.5858086330388845 > 0.01
+    atom #35 (C) contains delta 7.236152276999555 > 0.01
+    atom #36 (C) contains delta 7.090165434403081 > 0.01
+    atom #37 (C) contains delta 6.590413983806647 > 0.01
+    atom #38 (C) contains delta 5.597268203431375 > 0.01
+    atom #39 (C) contains delta 5.998001676526947 > 0.01
+    atom #40 (C) contains delta 5.9250406071704935 > 0.01
+    atom #41 (C) contains delta 8.351861890727477 > 0.01
+    atom #42 (C) contains delta 8.103791454914882 > 0.01
+    atom #43 (C) contains delta 8.372565686847146 > 0.01
+    atom #44 (C) contains delta 9.57634324628476 > 0.01
+    atom #45 (C) contains delta 9.953021014632256 > 0.01
+    atom #46 (C) contains delta 10.418176998585873 > 0.01
+    atom #47 (C) contains delta 4.550897876342612 > 0.01
+    atom #48 (C) contains delta 4.056775331169305 > 0.01
+    atom #49 (C) contains delta 3.900773386449036 > 0.01
+    atom #50 (C) contains delta 4.3244912602702135 > 0.01
+    atom #51 (C) contains delta 4.700671809923257 > 0.01
+    atom #52 (C) contains delta 4.846740343866706 > 0.01
+    atom #53 (C) contains delta 5.065500900096299 > 0.01
+    atom #54 (C) contains delta 5.12083383241418 > 0.01
+    atom #55 (C) contains delta 4.5304377594913126 > 0.01
+    atom #56 (C) contains delta 5.004795881242305 > 0.01
+    atom #57 (C) contains delta 5.295904019836842 > 0.01
+    atom #58 (C) contains delta 4.0370478629064515 > 0.01
+    atom #59 (C) contains delta 4.607786787089448 > 0.01
+    atom #60 (C) contains delta 5.048138125900695 > 0.01
+    atom #61 (C) contains delta 3.815101580495278 > 0.01
+    atom #62 (C) contains delta 3.9227954655731114 > 0.01
+    atom #63 (C) contains delta 4.417557665782471 > 0.01
+    atom #64 (C) contains delta 4.961444941041762 > 0.01
+    atom #65 (C) contains delta 5.601395737813566 > 0.01
+    atom #66 (C) contains delta 5.788982985770329 > 0.01
+    atom #67 (C) contains delta 5.536075440781884 > 0.01
+    atom #68 (C) contains delta 4.893799781799316 > 0.01
+    atom #69 (C) contains delta 8.86625384753119 > 0.01
+    atom #70 (C) contains delta 9.15281360965336 > 0.01
+    atom #71 (C) contains delta 9.232106356402928 > 0.01
+    atom #72 (C) contains delta 8.480346135256879 > 0.01
+    atom #73 (C) contains delta 8.170236202139147 > 0.01
+    atom #74 (C) contains delta 8.324917820179671 > 0.01
+    atom #75 (C) contains delta 8.671958855359525 > 0.01
+    atom #76 (C) contains delta 9.149414115899608 > 0.01
+    atom #77 (C) contains delta 9.746631917152676 > 0.01
+    atom #78 (C) contains delta 8.333710657666668 > 0.01
+    atom #79 (C) contains delta 8.50073546642277 > 0.01
+    atom #80 (C) contains delta 8.200345893164888 > 0.01
+    atom #81 (C) contains delta 8.413827393453527 > 0.01
+    atom #82 (C) contains delta 8.155399322509766 > 0.01
-   Result: Success
+   Result: Error: atom #0 (C) contains delta 9.560189918172581 > 0.01
+    atom #1 (C) contains delta 9.126654253433781 > 0.01
+    atom #2 (C) contains delta 8.7033163666014 > 0.01
+    atom #3 (C) contains delta 8.73504591300987 > 0.01
+    atom #4 (C) contains delta 9.187082319969837 > 0.01
+    atom #5 (C) contains delta 9.589086694699942 > 0.01
+    atom #6 (C) contains delta 8.956549497563541 > 0.01
+    atom #7 (C) contains delta 9.722526869398727 > 0.01
+    atom #8 (C) contains delta 10.103249270662108 > 0.01
+    atom #9 (C) contains delta 10.039280733047779 > 0.01
+    atom #10 (C) contains delta 9.826042364535407 > 0.01
+    atom #11 (C) contains delta 10.301593131895881 > 0.01
+    atom #12 (C) contains delta 10.661657383075045 > 0.01
+    atom #13 (C) contains delta 10.919753260757972 > 0.01
+    atom #14 (C) contains delta 11.539960074585215 > 0.01
+    atom #15 (C) contains delta 10.487081083895815 > 0.01
+    atom #16 (C) contains delta 10.15677051329568 > 0.01
+    atom #17 (C) contains delta 10.329860554746636 > 0.01
+    atom #18 (C) contains delta 10.820004134341644 > 0.01
+    atom #19 (C) contains delta 11.13065010983739 > 0.01
+    atom #20 (C) contains delta 11.105383907863981 > 0.01
+    atom #21 (C) contains delta 11.576484104925637 > 0.01
+    atom #22 (C) contains delta 11.591538133578709 > 0.01
+    atom #23 (C) contains delta 9.871850309827265 > 0.01
+    atom #24 (C) contains delta 9.822364578142718 > 0.01
+    atom #25 (C) contains delta 8.577108042570774 > 0.01
+    atom #26 (C) contains delta 9.158992251403504 > 0.01
+    atom #27 (C) contains delta 7.7155415935889735 > 0.01
+    atom #28 (C) contains delta 10.528424986102545 > 0.01
+    atom #29 (C) contains delta 10.64051462655963 > 0.01
+    atom #30 (C) contains delta 11.381603973869737 > 0.01
+    atom #31 (C) contains delta 8.24227052747674 > 0.01
+    atom #32 (C) contains delta 8.05051047268229 > 0.01
+    atom #33 (C) contains delta 7.561736856721626 > 0.01
+    atom #34 (C) contains delta 7.402073598204154 > 0.01
+    atom #35 (C) contains delta 8.221732086765742 > 0.01
+    atom #36 (C) contains delta 8.170677907788916 > 0.01
+    atom #37 (C) contains delta 7.625166929297963 > 0.01
+    atom #38 (C) contains delta 6.640108235788521 > 0.01
+    atom #39 (C) contains delta 7.0823933290646455 > 0.01
+    atom #40 (C) contains delta 7.042276496533736 > 0.01
+    atom #41 (C) contains delta 9.381049617500905 > 0.01
+    atom #42 (C) contains delta 9.160891377424981 > 0.01
+    atom #43 (C) contains delta 9.453322703364714 > 0.01
+    atom #44 (C) contains delta 10.493512886421573 > 0.01
+    atom #45 (C) contains delta 10.892292198764402 > 0.01
+    atom #46 (C) contains delta 11.344767981436851 > 0.01
+    atom #47 (C) contains delta 5.379582079697076 > 0.01
+    atom #48 (C) contains delta 4.8586969244369325 > 0.01
+    atom #49 (C) contains delta 4.419965405115787 > 0.01
+    atom #50 (C) contains delta 4.727923394121341 > 0.01
+    atom #51 (C) contains delta 5.30704630285346 > 0.01
+    atom #52 (C) contains delta 4.7455868014136335 > 0.01
+    atom #53 (C) contains delta 5.332599762950432 > 0.01
+    atom #54 (C) contains delta 5.650218695040186 > 0.01
+    atom #55 (C) contains delta 4.469315192197924 > 0.01
+    atom #56 (C) contains delta 4.931262275707267 > 0.01
+    atom #57 (C) contains delta 5.435736109189233 > 0.01
+    atom #58 (C) contains delta 3.960745483293471 > 0.01
+    atom #59 (C) contains delta 4.169000815952354 > 0.01
+    atom #60 (C) contains delta 4.765914355064437 > 0.01
+    atom #61 (C) contains delta 3.36108640725036 > 0.01
+    atom #62 (C) contains delta 3.205616219571716 > 0.01
+    atom #63 (C) contains delta 3.746432685762701 > 0.01
+    atom #64 (C) contains delta 5.8290069530947495 > 0.01
+    atom #65 (C) contains delta 6.250020937074971 > 0.01
+    atom #66 (C) contains delta 5.992681964066412 > 0.01
+    atom #67 (C) contains delta 5.182577945065382 > 0.01
+    atom #68 (C) contains delta 3.9193248748779297 > 0.01
+    atom #69 (C) contains delta 9.944388772244723 > 0.01
+    atom #70 (C) contains delta 10.250335742508733 > 0.01
+    atom #71 (C) contains delta 10.353400728082415 > 0.01
+    atom #72 (C) contains delta 9.601910296313516 > 0.01
+    atom #73 (C) contains delta 9.274600452425195 > 0.01
+    atom #74 (C) contains delta 9.464917721640811 > 0.01
+    atom #75 (C) contains delta 9.823352597262545 > 0.01
+    atom #76 (C) contains delta 10.296691174000669 > 0.01
+    atom #77 (C) contains delta 10.88340780267743 > 0.01
+    atom #78 (C) contains delta 9.495269332866055 > 0.01
+    atom #79 (C) contains delta 9.672532725775305 > 0.01
+    atom #80 (C) contains delta 9.378436924429668 > 0.01
+    atom #81 (C) contains delta 9.596242872495738 > 0.01
+    atom #82 (C) contains delta 9.33916187286377 > 0.01
-   Result: Success
+   Result: Error: atom #0 (C) contains delta 8.577631416401308 > 0.01
+    atom #1 (C) contains delta 8.127747661354013 > 0.01
+    atom #2 (C) contains delta 7.725548676834374 > 0.01
+    atom #3 (C) contains delta 7.798934214455612 > 0.01
+    atom #4 (C) contains delta 8.266732615422365 > 0.01
+    atom #5 (C) contains delta 8.643786659988558 > 0.01
+    atom #6 (C) contains delta 8.111015577413013 > 0.01
+    atom #7 (C) contains delta 8.857985962235757 > 0.01
+    atom #8 (C) contains delta 9.21086900092555 > 0.01
+    atom #9 (C) contains delta 9.108548642126843 > 0.01
+    atom #10 (C) contains delta 9.004079982355806 > 0.01
+    atom #11 (C) contains delta 9.489952983872467 > 0.01
+    atom #12 (C) contains delta 9.820152752434934 > 0.01
+    atom #13 (C) contains delta 10.023396373840317 > 0.01
+    atom #14 (C) contains delta 10.760721082169812 > 0.01
+    atom #15 (C) contains delta 9.7204559564691 > 0.01
+    atom #16 (C) contains delta 9.425513530358659 > 0.01
+    atom #17 (C) contains delta 9.642214364848703 > 0.01
+    atom #18 (C) contains delta 10.136705950080223 > 0.01
+    atom #19 (C) contains delta 10.411520840351484 > 0.01
+    atom #20 (C) contains delta 10.458111119048924 > 0.01
+    atom #21 (C) contains delta 10.913722625981238 > 0.01
+    atom #22 (C) contains delta 10.88622541218836 > 0.01
+    atom #23 (C) contains delta 9.205143430077136 > 0.01
+    atom #24 (C) contains delta 9.207335471145083 > 0.01
+    atom #25 (C) contains delta 7.945532518226243 > 0.01
+    atom #26 (C) contains delta 8.677048727895112 > 0.01
+    atom #27 (C) contains delta 7.247009853159184 > 0.01
+    atom #28 (C) contains delta 10.035580480610784 > 0.01
+    atom #29 (C) contains delta 10.048763616591811 > 0.01
+    atom #30 (C) contains delta 10.806216321873654 > 0.01
+    atom #31 (C) contains delta 7.312477866915436 > 0.01
+    atom #32 (C) contains delta 7.16679738712407 > 0.01
+    atom #33 (C) contains delta 6.68932685106812 > 0.01
+    atom #34 (C) contains delta 6.5858086330388845 > 0.01
+    atom #35 (C) contains delta 7.236152276999555 > 0.01
+    atom #36 (C) contains delta 7.090165434403081 > 0.01
+    atom #37 (C) contains delta 6.590413983806647 > 0.01
+    atom #38 (C) contains delta 5.597268203431375 > 0.01
+    atom #39 (C) contains delta 5.998001676526947 > 0.01
+    atom #40 (C) contains delta 5.9250406071704935 > 0.01
+    atom #41 (C) contains delta 8.351861890727477 > 0.01
+    atom #42 (C) contains delta 8.103791454914882 > 0.01
+    atom #43 (C) contains delta 8.372565686847146 > 0.01
+    atom #44 (C) contains delta 9.57634324628476 > 0.01
+    atom #45 (C) contains delta 9.953021014632256 > 0.01
+    atom #46 (C) contains delta 10.418176998585873 > 0.01
+    atom #47 (C) contains delta 4.550897876342612 > 0.01
+    atom #48 (C) contains delta 4.056775331169305 > 0.01
+    atom #49 (C) contains delta 3.900773386449036 > 0.01
+    atom #50 (C) contains delta 4.3244912602702135 > 0.01
+    atom #51 (C) contains delta 4.700671809923257 > 0.01
+    atom #52 (C) contains delta 4.846740343866706 > 0.01
+    atom #53 (C) contains delta 5.065500900096299 > 0.01
+    atom #54 (C) contains delta 5.12083383241418 > 0.01
+    atom #55 (C) contains delta 4.5304377594913126 > 0.01
+    atom #56 (C) contains delta 5.004795881242305 > 0.01
+    atom #57 (C) contains delta 5.295904019836842 > 0.01
+    atom #58 (C) contains delta 4.0370478629064515 > 0.01
+    atom #59 (C) contains delta 4.607786787089448 > 0.01
+    atom #60 (C) contains delta 5.048138125900695 > 0.01
+    atom #61 (C) contains delta 3.815101580495278 > 0.01
+    atom #62 (C) contains delta 3.9227954655731114 > 0.01
+    atom #63 (C) contains delta 4.417557665782471 > 0.01
+    atom #64 (C) contains delta 4.961444941041762 > 0.01
+    atom #65 (C) contains delta 5.601395737813566 > 0.01
+    atom #66 (C) contains delta 5.788982985770329 > 0.01
+    atom #67 (C) contains delta 5.584368399274265 > 0.01
+    atom #68 (C) contains delta 4.893799781799316 > 0.01
+    atom #69 (C) contains delta 8.86625384753119 > 0.01
+    atom #70 (C) contains delta 9.15281360965336 > 0.01
+    atom #71 (C) contains delta 9.232106356402928 > 0.01
+    atom #72 (C) contains delta 8.480346135256879 > 0.01
+    atom #73 (C) contains delta 8.170236202139147 > 0.01
+    atom #74 (C) contains delta 8.324917820179671 > 0.01
+    atom #75 (C) contains delta 8.671958855359525 > 0.01
+    atom #76 (C) contains delta 9.149414115899608 > 0.01
+    atom #77 (C) contains delta 9.746631917152676 > 0.01
+    atom #78 (C) contains delta 8.333710657666668 > 0.01
+    atom #79 (C) contains delta 8.50073546642277 > 0.01
+    atom #80 (C) contains delta 8.200345893164888 > 0.01
+    atom #81 (C) contains delta 8.413827393453527 > 0.01
+    atom #82 (C) contains delta 8.155399322509766 > 0.01
-   Result: Success
+   Result: Error: atom #0 (C) contains delta 10.812591014114947 > 0.01
+    atom #1 (C) contains delta 10.551403754987025 > 0.01
+    atom #2 (C) contains delta 9.954496201668041 > 0.01
+    atom #3 (C) contains delta 9.614149419900649 > 0.01
+    atom #4 (C) contains delta 9.90009880065918 > 0.01
+    atom #5 (C) contains delta 10.500099182128906 > 0.01
+    atom #6 (C) contains delta 10.912016188162761 > 0.01
+    atom #7 (C) contains delta 10.703842174214351 > 0.01
+    atom #8 (C) contains delta 10.115933507035274 > 0.01
+    atom #9 (C) contains delta 9.725833735903814 > 0.01
+    atom #10 (C) contains delta 3.01388680398651 > 0.01
+    atom #11 (C) contains delta 2.863879022279633 > 0.01
+    atom #12 (C) contains delta 2.3461768710846775 > 0.01
+    atom #13 (C) contains delta 1.920674563828763 > 0.01
+    atom #14 (C) contains delta 2.1379001140594482 > 0.01
+    atom #15 (C) contains delta 2.695899486541748 > 0.01
+    atom #16 (C) contains delta 3.309329524423168 > 0.01
+    atom #17 (C) contains delta 3.317224180806246 > 0.01
+    atom #18 (C) contains delta 2.88213776604361 > 0.01
+    atom #19 (C) contains delta 2.357297049926613 > 0.01
+    atom #20 (C) contains delta 3.8324366665774052 > 0.01
+    atom #21 (C) contains delta 3.9590899200020364 > 0.01
+    atom #22 (C) contains delta 3.6023790515978344 > 0.01
+    atom #23 (C) contains delta 3.0484500842594953 > 0.01
+    atom #24 (C) contains delta 4.5046657018948055 > 0.01
+    atom #25 (C) contains delta 4.713073005829489 > 0.01
+    atom #26 (C) contains delta 4.831821465277404 > 0.01
+    atom #27 (C) contains delta 3.8597267000037982 > 0.01
+    atom #28 (C) contains delta 12.325662418678812 > 0.01
+    atom #29 (C) contains delta 12.981610240798982 > 0.01
+    atom #30 (C) contains delta 12.263818446751586 > 0.01
+    atom #31 (C) contains delta 11.706031606951727 > 0.01
+    atom #32 (C) contains delta 11.450173065636205 > 0.01
+    atom #33 (C) contains delta 11.77080562221791 > 0.01
+    atom #34 (C) contains delta 12.262693150933453 > 0.01
+    atom #35 (C) contains delta 12.75446740890107 > 0.01
+    atom #36 (C) contains delta 12.790003097808269 > 0.01
+    atom #37 (C) contains delta 13.297408305328206 > 0.01
+    atom #38 (C) contains delta 13.366425220385604 > 0.01
+    atom #39 (C) contains delta 11.843959994401072 > 0.01
+    atom #40 (C) contains delta 11.414925984764556 > 0.01
+    atom #41 (C) contains delta 11.530917286170693 > 0.01
+    atom #42 (C) contains delta 11.13188564518302 > 0.01
+    atom #43 (C) contains delta 11.292225111086182 > 0.01
+    atom #44 (C) contains delta 10.927194196373732 > 0.01
+    atom #45 (C) contains delta 5.948555084677635 > 0.01
+    atom #46 (C) contains delta 5.790639427684061 > 0.01
+    atom #47 (C) contains delta 5.221829246391581 > 0.01
+    atom #48 (C) contains delta 4.780930766021059 > 0.01
+    atom #49 (C) contains delta 4.971022921880941 > 0.01
+    atom #50 (C) contains delta 5.565525419297305 > 0.01
+    atom #51 (C) contains delta 6.246769649018104 > 0.01
+    atom #52 (C) contains delta 6.184526473201203 > 0.01
+    atom #53 (C) contains delta 5.655471986912126 > 0.01
+    atom #54 (C) contains delta 5.147199908059099 > 0.01
+    atom #55 (C) contains delta 6.694667684541302 > 0.01
+    atom #56 (C) contains delta 7.329783081549342 > 0.01
+    atom #57 (C) cont

Check failure on line 1 in rendering

See this annotation in the file changed.

@github-actions github-actions / macos-13-x86_64-python_test_report

rendering.render_smarts

[FAILED]
Raw output
Diff:
- smarts/0002.png rendering status: OK
+ smarts/0002.png rendering status: Problem: PNG similarity is 0.89 for red channel
+ b'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'
- smarts/0003.png rendering status: OK
+ smarts/0003.png rendering status: Problem: PNG similarity is 0.89 for red channel
+ b'iVBORw0KGgoAAAANSUhEUgAAACwAAABgCAIAAADpfAdBAAAABmJLR0QA/wD/AP+gvaeTAAAEdUlEQVRoge2aX0xTVxjAv/6hLf9aqC1bQbCrtQzUbaQjZujiNHMJTn3oNkJICOjDkpWMPZG9LJPUGKMxGctgWfBBfCAuGVuAQsYI2opkodKJDDt3aRFheNGWlkFb2Ra67uF4Ll1LS28F6cP5PZ1z7nfO+aXn67m3t4cTDAZhq+FutQAAkViFSGD4kU0rKysejye0JScnBwDcbncgEBAKhRKJJNpwy8vLXq8XAGQyGZfLBQC/3+/3+5mAtbsHIxgdHQ0NSElJQe0qlQoAKioqIrswtLS0oF6zs7OoxWAwhI6m0+kie63xSTAolUqBQMDnx4pZF6lUqtFoAICmaZ/Pt2ZMrJzo6+ujKMpmsz2LRF1dHUVRFEWVl5dHi0mKxCQSmKSQYJ35LpfLbDZHu2q325+HhMlkMplMCcwUg6RYDtYSsXfM5ubm5yERGw6Hs/USiUEkMEQCQyQwLLbtycnJdWP0er1er2crkRSfRFJIxFqOhoYGsVjM5/Pb2toSnqCzs7OjowMALBZL1KD4H/kTI8FHfpVKZTQamSr6DZMwlZWVJSUlTFWhUETGcILk/QSCSGCIBIZIYIgEhkhgiASGSGCIBIZIYIgEhkhgiASGSGCIBIZIYIgEhkhgiASGSGCIBCYpJNZ4t22103/ML6HywT07pJmpqPzPSuDTtoH3yooOFBcAQN8vjuu/Tl04eSRyhM7h33flbttdIEfV25Nz085FVH5zd4FMnLa+RFP3cLt5HJWHLpzaX5SPyuMPnE1dw8dKNah6eeAO9XA+UuLST7c/bDZePPUOI9Hcc+vywB1Uvn625tAryrAuUZfj5vmTjtZ67c7Vl/JWB83hgFatYKqvq3PDenVZqLpvesMaz9cecbTW1x/fF22uqH+67MjJypeJQ1usdnrni9KsdBEALPj+uv9ooUFXxlx1e5c/af2x3TwuTOGFDSWXpMklacyyspBg6B2xzy89AQDz+IPMVMGVa2MAYKfdADDjWvzh53u6siIAONrYfmvi4QcHio+Vamq+6Fx3WHYSjVfNVjvNVGubVic4993QSy9kIQmtWnG2+vDbr6m6LRQrg7gk+g3VK4F/rQ76aGN712eVb7ycj1Roj7ffUM3jPj2r8PVH77Kdm4VEdoYIAKYeL3A48NZepThNCAB3p53lWrVcEv5lS4x4N6uRCbowT4YMnIv+GddiqSZvQwwg/sQctE1nZ4hQVt6bdQHAtPPPK9fGMlMFKCc2VyI0MUOz8sy3gwDAJObmSvQbqod+mzlx5mrv6arSXXkAUHXx+6Unf/d8XgUATGJurkR2huj+owUel3NwjzJdlAIAthnn+/uLNyorIc7EtDroonw5Mpjz+OY8vsgNe/Ml7Ku3CauDBgC0LhtFXOcnLn18vED+9GCtVq24ca62cPu2aMEn9hUGjac3XgI9QCBypZm50kxWcyQu8ZXRIkkX1Rx+dfv/76UJ0DMyMTb1ePDuNAsJPo8r4PO+7LYAwKG9ymeX6LZQaJcT8HlrHosjpwYw/wFtsSwJ+ndHbAAAAABJRU5ErkJggg=='
- smarts/0033.png rendering status: OK
+ smarts/0033.png rendering status: Problem: PNG similarity is 0.89 for red channel
+ b'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'
- smarts/0037.png rendering status: OK
+ smarts/0037.png rendering status: Problem: PNG similarity is 0.88 for red channel
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+ smarts/0087.png rendering status: Problem: PNG similarity is 0.89 for red channel
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+ smarts/0170.png rendering status: Problem: PNG similarity is 0.9 for green channel
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