Chemical Data Processing Library C++ API - Version 1.2.0
CDPL::Chem::ResonanceStructureGenerator Member List

This is the complete list of members for CDPL::Chem::ResonanceStructureGenerator, including all inherited members.

begin() constCDPL::Chem::ResonanceStructureGenerator
carbonBond12ChargesMinimized() constCDPL::Chem::ResonanceStructureGenerator
ConstStructureDataIterator typedefCDPL::Chem::ResonanceStructureGenerator
end() constCDPL::Chem::ResonanceStructureGenerator
generate(const MolecularGraph &molgraph)CDPL::Chem::ResonanceStructureGenerator
getChargeCountWindow() constCDPL::Chem::ResonanceStructureGenerator
getMaxNumGeneratedStructures() constCDPL::Chem::ResonanceStructureGenerator
getNumStructures() constCDPL::Chem::ResonanceStructureGenerator
getOctetRuleCheckAtomTypes()CDPL::Chem::ResonanceStructureGenerator
getOctetRuleCheckAtomTypes() constCDPL::Chem::ResonanceStructureGenerator
getStructureData(std::size_t idx) constCDPL::Chem::ResonanceStructureGenerator
getStructureDataBegin() constCDPL::Chem::ResonanceStructureGenerator
getStructureDataEnd() constCDPL::Chem::ResonanceStructureGenerator
minimizeCarbonBond12Charges(bool minimize)CDPL::Chem::ResonanceStructureGenerator
minimizeOctetRuleViolations(bool minimize)CDPL::Chem::ResonanceStructureGenerator
minimizeSP1GeometryViolations(bool minimize)CDPL::Chem::ResonanceStructureGenerator
octetRuleViolationsMinimized() constCDPL::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 typedefCDPL::Chem::ResonanceStructureGenerator
sp1GeometryViolationsMinimized() constCDPL::Chem::ResonanceStructureGenerator
~ResonanceStructureGenerator()CDPL::Chem::ResonanceStructureGeneratorinlinevirtual