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wiggly bonds fix
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even1024 committed Oct 4, 2023
1 parent a2f39ab commit 5ff9efe
Showing 1 changed file with 1 addition and 1 deletion.
Original file line number Diff line number Diff line change
Expand Up @@ -733,7 +733,7 @@ int MoleculeAutomorphismSearch::_validStereocenterByAtom(int atom_index, Array<i
Molecule& mol = *(Molecule*)_given_graph;

int type = mol.stereocenters.getType(atom_index);
if (type == 0 && !mol.stereocenters.isTetrahydral(atom_index))
if (type == 0 || !mol.stereocenters.isTetrahydral(atom_index))
return _UNDEF;

const int* pyramid = mol.stereocenters.getPyramid(atom_index);
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