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Substructure matcher finds implicit hydrogens as atoms

Open AlexanderSavelyev opened this issue 11 months ago • 0 comments

Steps to Reproduce

smiles = "C";
smarts = "[!#6]";
Indigo indigo = new Indigo();
IndigoObject pattern = indigo.loadSmarts(smarts);
IndigoObject molecule = indigo.loadMolecule(smiles);
IndigoObject match = indigo.substructureMatcher(molecule).match(pattern);
if (match !=null) // a match is produced here. Working correctly for version 1.12. 

Actual behavior Match returns non-zero result for implicit hydrogens

Expected behavior There should be no match for implicit hydrogens

Environment details:

  • 1.18

AlexanderSavelyev avatar Mar 23 '24 10:03 AlexanderSavelyev