Chemical Data Processing Library C++ API - Version 1.1.1
CDPL::ConfGen::DGStructureGenerator Member List

This is the complete list of members for CDPL::ConfGen::DGStructureGenerator, including all inherited members.

checkAtomConfigurations(Math::Vector3DArray &coords) constCDPL::ConfGen::DGStructureGenerator
checkBondConfigurations(Math::Vector3DArray &coords) constCDPL::ConfGen::DGStructureGenerator
DGStructureGenerator()CDPL::ConfGen::DGStructureGenerator
generate(Math::Vector3DArray &coords)CDPL::ConfGen::DGStructureGenerator
getConstraintGenerator() constCDPL::ConfGen::DGStructureGenerator
getExcludedHydrogenMask() constCDPL::ConfGen::DGStructureGenerator
getNumAtomStereoCenters() constCDPL::ConfGen::DGStructureGenerator
getNumBondStereoCenters() constCDPL::ConfGen::DGStructureGenerator
getSettings()CDPL::ConfGen::DGStructureGenerator
getSettings() constCDPL::ConfGen::DGStructureGenerator
setup(const Chem::MolecularGraph &molgraph)CDPL::ConfGen::DGStructureGenerator
setup(const Chem::MolecularGraph &molgraph, const ForceField::MMFF94InteractionData &ia_data)CDPL::ConfGen::DGStructureGenerator
setup(const Chem::MolecularGraph &molgraph, const Chem::FragmentList &fixed_substr_frags, const Math::Vector3DArray &fixed_substr_coords)CDPL::ConfGen::DGStructureGenerator
setup(const Chem::MolecularGraph &molgraph, const ForceField::MMFF94InteractionData &ia_data, const Chem::FragmentList &fixed_substr_frags, const Math::Vector3DArray &fixed_substr_coords)CDPL::ConfGen::DGStructureGenerator
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