__getitem__(int idx) | CDPL.Chem.ResonanceStructureGenerator | |
__init__() | CDPL.Chem.ResonanceStructureGenerator | |
__init__(ResonanceStructureGenerator gen) | CDPL.Chem.ResonanceStructureGenerator | |
__len__() | CDPL.Chem.ResonanceStructureGenerator | |
assign(ResonanceStructureGenerator gen) | CDPL.Chem.ResonanceStructureGenerator | |
carbonBond12ChargesMinimized() | CDPL.Chem.ResonanceStructureGenerator | |
chargeCountWindow (defined in CDPL.Chem.ResonanceStructureGenerator) | CDPL.Chem.ResonanceStructureGenerator | static |
generate(MolecularGraph molgraph) | CDPL.Chem.ResonanceStructureGenerator | |
getChargeCountWindow() | CDPL.Chem.ResonanceStructureGenerator | |
getMaxNumGeneratedStructures() | CDPL.Chem.ResonanceStructureGenerator | |
getNumStructures() | CDPL.Chem.ResonanceStructureGenerator | |
getObjectID() | CDPL.Chem.ResonanceStructureGenerator | |
getOctetRuleCheckAtomTypes() | CDPL.Chem.ResonanceStructureGenerator | |
getStructureData(int idx) | CDPL.Chem.ResonanceStructureGenerator | |
maxNumGeneratedStructures (defined in CDPL.Chem.ResonanceStructureGenerator) | CDPL.Chem.ResonanceStructureGenerator | static |
minCarbonBond12Charges (defined in CDPL.Chem.ResonanceStructureGenerator) | CDPL.Chem.ResonanceStructureGenerator | static |
minimizeCarbonBond12Charges(bool minimize) | CDPL.Chem.ResonanceStructureGenerator | |
minimizeOctetRuleViolations(bool minimize) | CDPL.Chem.ResonanceStructureGenerator | |
minimizeSP1GeometryViolations(bool minimize) | CDPL.Chem.ResonanceStructureGenerator | |
minOctetRuleViolations (defined in CDPL.Chem.ResonanceStructureGenerator) | CDPL.Chem.ResonanceStructureGenerator | static |
minSP1GeometryViolations (defined in CDPL.Chem.ResonanceStructureGenerator) | CDPL.Chem.ResonanceStructureGenerator | static |
numStructures (defined in CDPL.Chem.ResonanceStructureGenerator) | CDPL.Chem.ResonanceStructureGenerator | static |
objectID (defined in CDPL.Chem.ResonanceStructureGenerator) | CDPL.Chem.ResonanceStructureGenerator | static |
octetRuleCheckAtomTypes (defined in CDPL.Chem.ResonanceStructureGenerator) | CDPL.Chem.ResonanceStructureGenerator | static |
octetRuleViolationsMinimized() | CDPL.Chem.ResonanceStructureGenerator | |
setChargeCountWindow(int win_size) | CDPL.Chem.ResonanceStructureGenerator | |
setMaxNumGeneratedStructures(int max_num) | CDPL.Chem.ResonanceStructureGenerator | |
sp1GeometryViolationsMinimized() | CDPL.Chem.ResonanceStructureGenerator | |