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Fix a corner case when depicting cc(C)c
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johnmay authored and egonw committed Mar 15, 2024
1 parent 16f6bc2 commit 267f3b6
Showing 1 changed file with 11 additions and 0 deletions.
Expand Up @@ -697,6 +697,10 @@ else if (atom1Bonds.size() == 1)
return generateOffsetDoubleBond(bond, atom1, atom2, atom1Bonds.get(0), atom2Bonds, arom);
else if (atom2Bonds.size() == 1)
return generateOffsetDoubleBond(bond, atom2, atom1, atom2Bonds.get(0), atom1Bonds, arom);
else if (selectUnsetAromBond(atom1Bonds) != null)
return generateOffsetDoubleBond(bond, atom1, atom2, selectUnsetAromBond(atom1Bonds), atom2Bonds, arom);
else if (selectUnsetAromBond(atom2Bonds) != null)
return generateOffsetDoubleBond(bond, atom2, atom1, selectUnsetAromBond(atom2Bonds), atom1Bonds, arom);
else
return generateCenteredDoubleBond(bond, atom1, atom2, atom1Bonds, atom2Bonds);
} else {
Expand Down Expand Up @@ -739,6 +743,13 @@ private IBond selectPlainSingleBond(List<IBond> bonds) {
return bonds.get(0);
}

private IBond selectUnsetAromBond(List<IBond> bonds) {
for (IBond bond : bonds) {
if (bond.isAromatic() && bond.getOrder() == UNSET) return bond;
}
return null;
}

/**
* A plain bond is a single bond with no stereochemistry type.
*
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