epam / epam/Indigo

Substructure matcher does not work with mixture E/Z isomers

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#831 1 comment 0 reactions 1 assignee Claimed by @even1024 View on GitHub
Dominant language
C++
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Description

**Steps to Reproduce**
code snippet:
```
Indigo indigo = new Indigo();
IndigoObject molecule = indigo.loadMolecule("COCCCN1C(C(=C(C2=CC=C(C=C2)OCC=C)O)C(=O)C1=O)C3=CC=NC=C3");
IndigoObject query = indigo.loadQueryMolecule("COCCCN1C(=O)C(=O)/C(=C(/O)\\C2C=CC(OCC=C)=CC=2)/C1C1C=CN=CC=1");
molecule.aromatize();
query.aromatize();
IndigoObject match = indigo.substructureMatcher(molecule).match(query);
// match is null here
```

**Expected behavior**
E-isomer should match the query

**Actual behavior**
It doesn't

**Indigo/Bingo version**
indigoVersion=1.7.2

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Assessment

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