Chemical Data Processing Library Python API - Version 1.1.1
|
Properties | |
objectID = property(getObjectID) | |
pharmacophoreGenerator = property(getPharmacophoreGenerator, setPharmacophoreGenerator) | |
defPharmacophoreGenerator = property(getDefaultPharmacophoreGenerator) | |
shapes = property(getShapes) | |
genPharmacophoreShape = property(generatePharmacophoreShape, generatePharmacophoreShape) | |
genMoleculeShape = property(generateMoleculeShape, generateMoleculeShape) | |
multiConfMode = property(multiConformerMode, multiConformerMode) | |
incHydrogens = property(includeHydrogens, includeHydrogens) | |
atomRadius = property(getAtomRadius, setAtomRadius) | |
atomHardness = property(getAtomHardness, setAtomHardness) | |
featureRadius = property(getFeatureRadius, setFeatureRadius) | |
featureHardness = property(getFeatureHardness, setFeatureHardness) | |
None CDPL.Shape.GaussianShapeGenerator.__init__ | ( | GaussianShapeGenerator | gen | ) |
Initializes a copy of the GaussianShapeGenerator instance gen.
gen | The GaussianShapeGenerator instance to copy. |
int CDPL.Shape.GaussianShapeGenerator.getObjectID | ( | ) |
Returns the numeric identifier (ID) of the wrapped C++ class instance.
Different Python GaussianShapeGenerator instances may reference the same underlying C++ class instance. The commonly used Python expression a is not b
thus cannot tell reliably whether the two GaussianShapeGenerator instances a and b reference different C++ objects. The numeric identifier returned by this method allows to correctly implement such an identity test via the simple expression a.getObjectID() != b.getObjectID()
.
GaussianShapeGenerator CDPL.Shape.GaussianShapeGenerator.assign | ( | GaussianShapeGenerator | gen | ) |
Replaces the current state of self with a copy of the state of the GaussianShapeGenerator instance gen.
gen | The GaussianShapeGenerator instance to copy. |
None CDPL.Shape.GaussianShapeGenerator.setPharmacophoreGenerator | ( | Pharm.PharmacophoreGenerator | gen | ) |
gen |
Pharm.PharmacophoreGenerator CDPL.Shape.GaussianShapeGenerator.getPharmacophoreGenerator | ( | ) |
Pharm.DefaultPharmacophoreGenerator CDPL.Shape.GaussianShapeGenerator.getDefaultPharmacophoreGenerator | ( | ) |
None CDPL.Shape.GaussianShapeGenerator.setAtomRadius | ( | float | radius | ) |
radius |
float CDPL.Shape.GaussianShapeGenerator.getAtomRadius | ( | ) |
None CDPL.Shape.GaussianShapeGenerator.setAtomHardness | ( | float | hardness | ) |
hardness |
float CDPL.Shape.GaussianShapeGenerator.getAtomHardness | ( | ) |
None CDPL.Shape.GaussianShapeGenerator.setFeatureRadius | ( | float | radius | ) |
radius |
float CDPL.Shape.GaussianShapeGenerator.getFeatureRadius | ( | ) |
None CDPL.Shape.GaussianShapeGenerator.setFeatureHardness | ( | float | hardness | ) |
hardness |
float CDPL.Shape.GaussianShapeGenerator.getFeatureHardness | ( | ) |
None CDPL.Shape.GaussianShapeGenerator.generatePharmacophoreShape | ( | bool | generate | ) |
generate |
bool CDPL.Shape.GaussianShapeGenerator.generatePharmacophoreShape | ( | ) |
None CDPL.Shape.GaussianShapeGenerator.generateMoleculeShape | ( | bool | generate | ) |
generate |
bool CDPL.Shape.GaussianShapeGenerator.generateMoleculeShape | ( | ) |
None CDPL.Shape.GaussianShapeGenerator.multiConformerMode | ( | bool | multi_conf | ) |
multi_conf |
bool CDPL.Shape.GaussianShapeGenerator.multiConformerMode | ( | ) |
None CDPL.Shape.GaussianShapeGenerator.includeHydrogens | ( | bool | include | ) |
include |
bool CDPL.Shape.GaussianShapeGenerator.includeHydrogens | ( | ) |
GaussianShapeSet CDPL.Shape.GaussianShapeGenerator.generate | ( | Chem.MolecularGraph | molgraph | ) |
molgraph |
GaussianShapeSet CDPL.Shape.GaussianShapeGenerator.getShapes | ( | ) |