#include <GaussianShapeGenerator.hpp>
◆ SharedPointer
◆ GaussianShapeGenerator()
CDPL::Shape::GaussianShapeGenerator::GaussianShapeGenerator |
( |
| ) |
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◆ generateMoleculeShape() [1/2]
void CDPL::Shape::GaussianShapeGenerator::generateMoleculeShape |
( |
bool |
generate | ) |
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◆ generateMoleculeShape() [2/2]
bool CDPL::Shape::GaussianShapeGenerator::generateMoleculeShape |
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const |
◆ generatePharmacophoreShape() [1/2]
void CDPL::Shape::GaussianShapeGenerator::generatePharmacophoreShape |
( |
bool |
generate | ) |
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◆ generatePharmacophoreShape() [2/2]
bool CDPL::Shape::GaussianShapeGenerator::generatePharmacophoreShape |
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const |
◆ multiConformerMode() [1/2]
void CDPL::Shape::GaussianShapeGenerator::multiConformerMode |
( |
bool |
multi_conf | ) |
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◆ multiConformerMode() [2/2]
bool CDPL::Shape::GaussianShapeGenerator::multiConformerMode |
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const |
◆ includeHydrogens() [1/2]
void CDPL::Shape::GaussianShapeGenerator::includeHydrogens |
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bool |
include | ) |
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◆ includeHydrogens() [2/2]
bool CDPL::Shape::GaussianShapeGenerator::includeHydrogens |
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const |
◆ setAtomRadius()
void CDPL::Shape::GaussianShapeGenerator::setAtomRadius |
( |
double |
radius | ) |
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◆ getAtomRadius()
double CDPL::Shape::GaussianShapeGenerator::getAtomRadius |
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const |
◆ setAtomHardness()
void CDPL::Shape::GaussianShapeGenerator::setAtomHardness |
( |
double |
hardness | ) |
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◆ getAtomHardness()
double CDPL::Shape::GaussianShapeGenerator::getAtomHardness |
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◆ setFeatureRadius()
void CDPL::Shape::GaussianShapeGenerator::setFeatureRadius |
( |
double |
radius | ) |
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◆ getFeatureRadius()
double CDPL::Shape::GaussianShapeGenerator::getFeatureRadius |
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const |
◆ setFeatureHardness()
void CDPL::Shape::GaussianShapeGenerator::setFeatureHardness |
( |
double |
hardness | ) |
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◆ getFeatureHardness()
double CDPL::Shape::GaussianShapeGenerator::getFeatureHardness |
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◆ setPharmacophoreGenerator()
◆ getPharmacophoreGenerator()
◆ getDefaultPharmacophoreGenerator() [1/2]
◆ getDefaultPharmacophoreGenerator() [2/2]
◆ generate()
◆ getShapes()
const GaussianShapeSet& CDPL::Shape::GaussianShapeGenerator::getShapes |
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const |
The documentation for this class was generated from the following file: