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cleanup RDKit::MolOps::detectBondStereochemistry (#7329)
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rvianello committed Apr 4, 2024
1 parent 7412566 commit 722cbba
Showing 1 changed file with 0 additions and 8 deletions.
8 changes: 0 additions & 8 deletions Code/GraphMol/Chirality.cpp
Original file line number Diff line number Diff line change
Expand Up @@ -3427,8 +3427,6 @@ void assignChiralTypesFromMolParity(ROMol &mol, bool replaceExistingTags) {
}
}

constexpr const char *isStereoAny = "_isStereoAny";

void setDoubleBondNeighborDirections(ROMol &mol, const Conformer *conf) {
// used to store the number of single bonds a given
// single bond is adjacent to
Expand Down Expand Up @@ -3539,12 +3537,6 @@ void detectBondStereochemistry(ROMol &mol, int confId) {
}
const Conformer &conf = mol.getConformer(confId);
setDoubleBondNeighborDirections(mol, &conf);
for (auto bond : mol.bonds()) {
if (bond->hasProp(isStereoAny)) {
bond->setStereo(Bond::BondStereo::STEREOANY);
bond->clearProp(isStereoAny);
}
}
}

void clearSingleBondDirFlags(ROMol &mol, bool onlyWedgeFlags) {
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