addExclusionVolumes(bool add) | CDPL::Pharm::InteractionPharmacophoreGenerator | |
exclusionVolumesAdded() const | CDPL::Pharm::InteractionPharmacophoreGenerator | |
generate(const Chem::MolecularGraph &core, const Chem::MolecularGraph &tgt, Pharmacophore &ia_pharm, bool extract_core_env, bool append=false) | CDPL::Pharm::InteractionPharmacophoreGenerator | |
getCoreEnvironment() const | CDPL::Pharm::InteractionPharmacophoreGenerator | |
getCoreEnvironmentRadius() const | CDPL::Pharm::InteractionPharmacophoreGenerator | |
getCorePharmacophore() const | CDPL::Pharm::InteractionPharmacophoreGenerator | |
getCorePharmacophoreGenerator() | CDPL::Pharm::InteractionPharmacophoreGenerator | |
getCorePharmacophoreGenerator() const | CDPL::Pharm::InteractionPharmacophoreGenerator | |
getEnvironmentPharmacophore() const | CDPL::Pharm::InteractionPharmacophoreGenerator | |
getEnvironmentPharmacophoreGenerator() | CDPL::Pharm::InteractionPharmacophoreGenerator | |
getEnvironmentPharmacophoreGenerator() const | CDPL::Pharm::InteractionPharmacophoreGenerator | |
getInteractionAnalyzer() | CDPL::Pharm::InteractionPharmacophoreGenerator | |
getInteractionAnalyzer() const | CDPL::Pharm::InteractionPharmacophoreGenerator | |
getInteractionMapping() const | CDPL::Pharm::InteractionPharmacophoreGenerator | |
InteractionPharmacophoreGenerator(DefaultPharmacophoreGenerator::Configuration core_ph4_gen_cfg=DefaultPharmacophoreGenerator::DEFAULT_CONFIG, DefaultPharmacophoreGenerator::Configuration env_ph4_gen_cfg=DefaultPharmacophoreGenerator::DEFAULT_CONFIG) | CDPL::Pharm::InteractionPharmacophoreGenerator | |
setCoreEnvironmentRadius(double radius) | CDPL::Pharm::InteractionPharmacophoreGenerator | |