InteractionPharmacophoreGenerator.
More...
#include <InteractionPharmacophoreGenerator.hpp>
◆ InteractionPharmacophoreGenerator()
Constructs the InteractionPharmacophoreGenerator
instance.
◆ setCoreEnvironmentRadius()
void CDPL::Pharm::InteractionPharmacophoreGenerator::setCoreEnvironmentRadius |
( |
double |
radius | ) |
|
◆ getCoreEnvironmentRadius()
double CDPL::Pharm::InteractionPharmacophoreGenerator::getCoreEnvironmentRadius |
( |
| ) |
const |
◆ addExclusionVolumes()
void CDPL::Pharm::InteractionPharmacophoreGenerator::addExclusionVolumes |
( |
bool |
add | ) |
|
◆ exclusionVolumesAdded()
bool CDPL::Pharm::InteractionPharmacophoreGenerator::exclusionVolumesAdded |
( |
| ) |
const |
◆ getCorePharmacophoreGenerator() [1/2]
◆ getCorePharmacophoreGenerator() [2/2]
const PharmacophoreGenerator& CDPL::Pharm::InteractionPharmacophoreGenerator::getCorePharmacophoreGenerator |
( |
| ) |
const |
◆ getEnvironmentPharmacophoreGenerator() [1/2]
PharmacophoreGenerator& CDPL::Pharm::InteractionPharmacophoreGenerator::getEnvironmentPharmacophoreGenerator |
( |
| ) |
|
◆ getEnvironmentPharmacophoreGenerator() [2/2]
const PharmacophoreGenerator& CDPL::Pharm::InteractionPharmacophoreGenerator::getEnvironmentPharmacophoreGenerator |
( |
| ) |
const |
◆ getInteractionAnalyzer() [1/2]
InteractionAnalyzer& CDPL::Pharm::InteractionPharmacophoreGenerator::getInteractionAnalyzer |
( |
| ) |
|
◆ getInteractionAnalyzer() [2/2]
const InteractionAnalyzer& CDPL::Pharm::InteractionPharmacophoreGenerator::getInteractionAnalyzer |
( |
| ) |
const |
◆ getCorePharmacophore()
const Pharmacophore& CDPL::Pharm::InteractionPharmacophoreGenerator::getCorePharmacophore |
( |
| ) |
const |
◆ getEnvironmentPharmacophore()
const Pharmacophore& CDPL::Pharm::InteractionPharmacophoreGenerator::getEnvironmentPharmacophore |
( |
| ) |
const |
◆ getInteractionMapping()
const FeatureMapping& CDPL::Pharm::InteractionPharmacophoreGenerator::getInteractionMapping |
( |
| ) |
const |
◆ getCoreEnvironment()
const Chem::Fragment& CDPL::Pharm::InteractionPharmacophoreGenerator::getCoreEnvironment |
( |
| ) |
const |
◆ generate()
The documentation for this class was generated from the following file: