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#1277 SMILES with bad stereochemistry is not parsed #2894

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#1277 SMILES with bad stereochemistry is not parsed

#1277 SMILES with bad stereochemistry is not parsed #2894

GitHub Actions / bingo_postgres_14_test_report failed Oct 3, 2023 in 0s

34148 tests run, 34117 passed, 0 skipped, 31 failed.

Annotations

Check failure on line 1 in TestCheckmolecule

See this annotation in the file changed.

@github-actions github-actions / bingo_postgres_14_test_report

TestCheckmolecule.test_checkmolecule[742-molfile loader: direction of bond #31 makes no sense] 

AssertionError
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E   AssertionError

Check failure on line 1 in TestCheckmolecule

See this annotation in the file changed.

@github-actions github-actions / bingo_postgres_14_test_report

TestCheckmolecule.test_checkmolecule[1138-molfile loader: direction of bond #2 makes no sense] 

AssertionError
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E   AssertionError

Check failure on line 1 in TestCheckmolecule

See this annotation in the file changed.

@github-actions github-actions / bingo_postgres_14_test_report

TestCheckmolecule.test_checkmolecule[1139-molfile loader: direction of bond #0 makes no sense] 

AssertionError
Raw output 
E   AssertionError

Check failure on line 1 in TestCheckmolecule

See this annotation in the file changed.

@github-actions github-actions / bingo_postgres_14_test_report

TestCheckmolecule.test_checkmolecule[1208-molfile loader: direction of bond #54 makes no sense] 

AssertionError
Raw output 
E   AssertionError

Check failure on line 1 in TestCheckmolecule

See this annotation in the file changed.

@github-actions github-actions / bingo_postgres_14_test_report

TestCheckmolecule.test_checkmolecule[1994-molfile loader: direction of bond #3 makes no sense] 

AssertionError
Raw output 
E   AssertionError

Check failure on line 1 in TestCheckmolecule

See this annotation in the file changed.

@github-actions github-actions / bingo_postgres_14_test_report

TestCheckmolecule.test_checkmolecule[1995-molfile loader: direction of bond #3 makes no sense] 

AssertionError
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E   AssertionError

Check failure on line 1 in TestCheckmolecule

See this annotation in the file changed.

@github-actions github-actions / bingo_postgres_14_test_report

TestCheckmolecule.test_checkmolecule[1997-molfile loader: direction of bond #3 makes no sense] 

AssertionError
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Check failure on line 1 in TestCml

See this annotation in the file changed.

@github-actions github-actions / bingo_postgres_14_test_report

TestCml.test_cml[745-<?xml version="1.0" encoding="UTF-8"?>\n<cml>\n <molecule title="MOL_745">\n <atomArray>\n <atom id="a0" elementType="C" x2="-2.6269" y2="1.78"/>\n <atom id="a1" elementType="O" x2="-4.0603" y2="2.5956"/>\n <atom id="a2" elementType="C" x2="-2.4409" y2="0.5646">\n <atomParity atomRefs4="a0 a3 a4 a5">1</atomParity>\n </atom>\n <atom id="a3" elementType="N" x2="-1.4093" y2="-0.7759">\n <atomParity atomRefs4="a2 a6 a7 a3">1</atomParity>\n </atom>\n <atom id="a4" elementType="C" x2="-3.4707" y2="-0.151"/>\n <atom id="a5" elementType="C" x2="-1.4397" y2="1.3128"/>\n <atom id="a6" elementType="C" x2="0.0892" y2="-0.25"/>\n <atom id="a7" elementType="C" x2="-2.2525" y2="-2.1233"/>\n <atom id="a8" elementType="O" x2="-3.9708" y2="-1.4344"/>\n <atom id="a9" elementType="O" x2="-0.0083" y2="1.2801"/>\n <atom id="a10" e 

AssertionError
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E   AssertionError

Check failure on line 1 in TestCml

See this annotation in the file changed.

@github-actions github-actions / bingo_postgres_14_test_report

TestCml.test_cml[753-<?xml version="1.0" encoding="UTF-8"?>\n<cml>\n <molecule title="MOL_753">\n <atomArray>\n <atom id="a0" elementType="C" x2="8.0791" y2="-5.3708">\n <atomParity atomRefs4="a1 a4 a8 a33">1</atomParity>\n </atom>\n <atom id="a1" elementType="C" x2="8.0791" y2="-6.3">\n <atomParity atomRefs4="a0 a2 a7 a32">1</atomParity>\n </atom>\n <atom id="a2" elementType="C" x2="9.6823" y2="-6.3"/>\n <atom id="a3" elementType="C" x2="9.6823" y2="-5.3708"/>\n <atom id="a4" elementType="C" x2="8.8745" y2="-4.9041">\n <atomParity atomRefs4="a0 a34 a3 a42">1</atomParity>\n </atom>\n <atom id="a5" elementType="C" x2="6.475" y2="-5.3708"/>\n <atom id="a6" elementType="C" x2="6.475" y2="-6.3">\n <atomParity atomRefs4="a5 a7 a9 a30">1</atomParity>\n </atom>\n <atom id="a7" elementType="C" x2="7.2703" y2="-6.7625"> 

AssertionError
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E   AssertionError

Check failure on line 1 in TestCml

See this annotation in the file changed.

@github-actions github-actions / bingo_postgres_14_test_report

TestCml.test_cml[1208-None\n] 

File "<string>", line 1
lxml.etree.XMLSyntaxError: Start tag expected, '<' not found, line 1, column 1
Raw output 
E     File "<string>", line 1
    lxml.etree.XMLSyntaxError: Start tag expected, '<' not found, line 1, column 1

Check failure on line 1 in TestCml

See this annotation in the file changed.

@github-actions github-actions / bingo_postgres_14_test_report

TestCml.test_cml[1850-<?xml version="1.0" encoding="UTF-8"?>\n<cml>\n <molecule title="MOL_1850">\n <atomArray>\n <atom id="a0" elementType="C" x2="8.0791" y2="-5.3708">\n <atomParity atomRefs4="a1 a4 a8 a33">1</atomParity>\n </atom>\n <atom id="a1" elementType="C" x2="8.0791" y2="-6.3">\n <atomParity atomRefs4="a0 a2 a7 a32">1</atomParity>\n </atom>\n <atom id="a2" elementType="C" x2="9.6823" y2="-6.3"/>\n <atom id="a3" elementType="C" x2="9.6823" y2="-5.3708"/>\n <atom id="a4" elementType="C" x2="8.8745" y2="-4.9041">\n <atomParity atomRefs4="a0 a34 a3 a42">1</atomParity>\n </atom>\n <atom id="a5" elementType="C" x2="6.475" y2="-5.3708"/>\n <atom id="a6" elementType="C" x2="6.475" y2="-6.3">\n <atomParity atomRefs4="a5 a7 a9 a30">1</atomParity>\n </atom>\n <atom id="a7" elementType="C" x2="7.2703" y2="-6.7625 

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Check failure on line 1 in TestCompactmolecule

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@github-actions github-actions / bingo_postgres_14_test_report

TestCompactmolecule.test_compactmolecule[745-942f6642b01222a2a8d1b953c4477764] 

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Check failure on line 1 in TestCompactmolecule

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@github-actions github-actions / bingo_postgres_14_test_report

TestCompactmolecule.test_compactmolecule[753-3441bdf249a7da0dccfd81a2a75f1c4f] 

AssertionError
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E   AssertionError

Check failure on line 1 in TestCompactmolecule

See this annotation in the file changed.

@github-actions github-actions / bingo_postgres_14_test_report

TestCompactmolecule.test_compactmolecule[1208-None] 

AssertionError
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E   AssertionError

Check failure on line 1 in TestCompactmolecule

See this annotation in the file changed.

@github-actions github-actions / bingo_postgres_14_test_report

TestCompactmolecule.test_compactmolecule[1850-36970e9b39e6b680147734878ecc8360] 

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Check failure on line 1 in TestCompactreaction

See this annotation in the file changed.

@github-actions github-actions / bingo_postgres_14_test_report

TestCompactreaction.test_compactreaction[290-871fbada43b7c6c4b1c7a3298791bb1d] 

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Check failure on line 1 in TestFingerprint

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@github-actions github-actions / bingo_postgres_14_test_report

TestFingerprint.test_fingerprint_full[1208-None] 

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Check failure on line 1 in TestFingerprint

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@github-actions github-actions / bingo_postgres_14_test_report

TestFingerprint.test_fingerprint_sim[1208-None] 

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Check failure on line 1 in TestFingerprint

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@github-actions github-actions / bingo_postgres_14_test_report

TestFingerprint.test_fingerprint_sub[1208-None] 

AssertionError
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Check failure on line 1 in TestFingerprint

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@github-actions github-actions / bingo_postgres_14_test_report

TestFingerprint.test_fingerprint_sub_res[1208-None] 

AssertionError
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Check failure on line 1 in TestFingerprint

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@github-actions github-actions / bingo_postgres_14_test_report

TestFingerprint.test_fingerprint_sub_tau[1208-None] 

AssertionError
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Check failure on line 1 in TestGross

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@github-actions github-actions / bingo_postgres_14_test_report

TestGross.test_gross[1208-None] 

AssertionError
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E   AssertionError

Check failure on line 1 in TestInchi

See this annotation in the file changed.

@github-actions github-actions / bingo_postgres_14_test_report

TestInchi.test_inchi[745-InChI=1/4C18H19NO3/c4*20-11-18-12-21-16(14-7-3-1-4-8-14)19(18)17(22-13-18)15-9-5-2-6-10-15/h4*1-10,16-17,20H,11-13H2/t2*16-,17?,18-;16-,17+,18-;/s3] 

AssertionError
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Check failure on line 1 in TestInchi

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@github-actions github-actions / bingo_postgres_14_test_report

TestInchi.test_inchi_do_not_add[745-InChI=1/4C18H19NO3/c4*20-11-18-12-21-16(14-7-3-1-4-8-14)19(18)17(22-13-18)15-9-5-2-6-10-15/h4*1-10,16-17,20H,11-13H2/t2*16-,17?,18-;16-,17+,18-;/s3] 

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Check failure on line 1 in TestInchi

See this annotation in the file changed.

@github-actions github-actions / bingo_postgres_14_test_report

TestInchi.test_inchikey[745-RHDJZKKMJAMKGZ-ZTAFAALYNA-N] 

AssertionError
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E   AssertionError
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