Chemical Data Processing Library Python API - Version 1.1.1
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Properties | |
objectID = property(getObjectID) | |
topMapping = property(getTopologicalMapping) | |
minTopologicalMappingSize = property(getMinTopologicalMappingSize, setMinTopologicalMappingSize) | |
exhaustiveSearch = property(exhaustiveSearchPerformed, performExhaustiveSearch) | |
transform = property(getTransform) | |
entityMatchFunction = property(getEntityMatchFunction, setEntityMatchFunction) | |
entityPairMatchFunction = property(getEntityPairMatchFunction, setEntityPairMatchFunction) | |
topAlignmentConstraintFunction = property(getTopAlignmentConstraintFunction, setTopAlignmentConstraintFunction) | |
entityCoordsFunction = property(getEntity3DCoordinatesFunction, setEntity3DCoordinatesFunction) | |
entityWeightFunction = property(getEntityWeightFunction, setEntityWeightFunction) | |
None CDPL.Chem.SpatialEntity3DAlignment.__init__ | ( | SpatialEntity3DAlignment | alignment | ) |
Initializes a copy of the SpatialEntity3DAlignment instance alignment.
alignment | The SpatialEntity3DAlignment instance to copy. |
int CDPL.Chem.SpatialEntity3DAlignment.getObjectID | ( | ) |
Returns the numeric identifier (ID) of the wrapped C++ class instance.
Different Python SpatialEntity3DAlignment 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 SpatialEntity3DAlignment 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()
.
None CDPL.Chem.SpatialEntity3DAlignment.setEntityMatchFunction | ( | BoolEntity3D2Functor | func | ) |
func |
BoolEntity3D2Functor CDPL.Chem.SpatialEntity3DAlignment.getEntityMatchFunction | ( | ) |
None CDPL.Chem.SpatialEntity3DAlignment.setEntityPairMatchFunction | ( | BoolEntity3D4Functor | func | ) |
func |
BoolEntity3D4Functor CDPL.Chem.SpatialEntity3DAlignment.getEntityPairMatchFunction | ( | ) |
None CDPL.Chem.SpatialEntity3DAlignment.setTopAlignmentConstraintFunction | ( | BoolSTPairArrayFunctor | func | ) |
func |
BoolSTPairArrayFunctor CDPL.Chem.SpatialEntity3DAlignment.getTopAlignmentConstraintFunction | ( | ) |
None CDPL.Chem.SpatialEntity3DAlignment.setEntity3DCoordinatesFunction | ( | Vector3DEntity3DFunctor | func | ) |
func |
Vector3DEntity3DFunctor CDPL.Chem.SpatialEntity3DAlignment.getEntity3DCoordinatesFunction | ( | ) |
None CDPL.Chem.SpatialEntity3DAlignment.setEntityWeightFunction | ( | DoubleEntity3DFunctor | func | ) |
func |
DoubleEntity3DFunctor CDPL.Chem.SpatialEntity3DAlignment.getEntityWeightFunction | ( | ) |
None CDPL.Chem.SpatialEntity3DAlignment.performExhaustiveSearch | ( | bool | exhaustive | ) |
exhaustive |
bool CDPL.Chem.SpatialEntity3DAlignment.exhaustiveSearchPerformed | ( | ) |
None CDPL.Chem.SpatialEntity3DAlignment.addEntity | ( | Entity3D | entity, |
bool | first_set | ||
) |
entity | |
first_set |
None CDPL.Chem.SpatialEntity3DAlignment.clearEntities | ( | bool | first_set | ) |
first_set |
int CDPL.Chem.SpatialEntity3DAlignment.getNumEntities | ( | bool | first_set | ) |
first_set |
object CDPL.Chem.SpatialEntity3DAlignment.getEntities | ( | bool | first_set | ) |
first_set |
Entity3D CDPL.Chem.SpatialEntity3DAlignment.getEntity | ( | int | idx, |
bool | first_set | ||
) |
idx | |
first_set |
None CDPL.Chem.SpatialEntity3DAlignment.setMinTopologicalMappingSize | ( | int | min_size | ) |
min_size |
int CDPL.Chem.SpatialEntity3DAlignment.getMinTopologicalMappingSize | ( | ) |
None CDPL.Chem.SpatialEntity3DAlignment.reset | ( | ) |
reset |
bool CDPL.Chem.SpatialEntity3DAlignment.nextAlignment | ( | ) |
Math.Matrix4D CDPL.Chem.SpatialEntity3DAlignment.getTransform | ( | ) |
SpatialEntity3DAlignment CDPL.Chem.SpatialEntity3DAlignment.assign | ( | SpatialEntity3DAlignment | alignment | ) |
Replaces the current state of self with a copy of the state of the SpatialEntity3DAlignment instance alignment.
alignment | The SpatialEntity3DAlignment instance to copy. |
Util.STPairArray CDPL.Chem.SpatialEntity3DAlignment.getTopologicalMapping | ( | ) |