begin() const | CDPL::Chem::ResonanceStructureGenerator | |
carbonBond12ChargesMinimized() const | CDPL::Chem::ResonanceStructureGenerator | |
ConstStructureDataIterator typedef | CDPL::Chem::ResonanceStructureGenerator | |
end() const | CDPL::Chem::ResonanceStructureGenerator | |
generate(const MolecularGraph &molgraph) | CDPL::Chem::ResonanceStructureGenerator | |
getChargeCountWindow() const | CDPL::Chem::ResonanceStructureGenerator | |
getMaxNumGeneratedStructures() const | CDPL::Chem::ResonanceStructureGenerator | |
getNumStructures() const | CDPL::Chem::ResonanceStructureGenerator | |
getOctetRuleCheckAtomTypes() | CDPL::Chem::ResonanceStructureGenerator | |
getOctetRuleCheckAtomTypes() const | CDPL::Chem::ResonanceStructureGenerator | |
getStructureData(std::size_t idx) const | CDPL::Chem::ResonanceStructureGenerator | |
getStructureDataBegin() const | CDPL::Chem::ResonanceStructureGenerator | |
getStructureDataEnd() const | CDPL::Chem::ResonanceStructureGenerator | |
minimizeCarbonBond12Charges(bool minimize) | CDPL::Chem::ResonanceStructureGenerator | |
minimizeOctetRuleViolations(bool minimize) | CDPL::Chem::ResonanceStructureGenerator | |
minimizeSP1GeometryViolations(bool minimize) | CDPL::Chem::ResonanceStructureGenerator | |
octetRuleViolationsMinimized() const | CDPL::Chem::ResonanceStructureGenerator | |
operator=(const ResonanceStructureGenerator &gen) | CDPL::Chem::ResonanceStructureGenerator | |
ResonanceStructureGenerator() | CDPL::Chem::ResonanceStructureGenerator | |
ResonanceStructureGenerator(const ResonanceStructureGenerator &gen) | CDPL::Chem::ResonanceStructureGenerator | |
setChargeCountWindow(std::size_t win_size) | CDPL::Chem::ResonanceStructureGenerator | |
setMaxNumGeneratedStructures(std::size_t max_num) | CDPL::Chem::ResonanceStructureGenerator | |
SharedPointer typedef | CDPL::Chem::ResonanceStructureGenerator | |
sp1GeometryViolationsMinimized() const | CDPL::Chem::ResonanceStructureGenerator | |
~ResonanceStructureGenerator() | CDPL::Chem::ResonanceStructureGenerator | inlinevirtual |