Chemical Data Processing Library Python API - Version 1.2.0
Public Member Functions | Properties | List of all members
CDPL.Pharm.SpatialFeatureAlignment Class Reference
+ Inheritance diagram for CDPL.Pharm.SpatialFeatureAlignment:

Public Member Functions

None __init__ ()
 Initializes the SpatialFeatureAlignment instance.
 
None __init__ (SpatialFeatureAlignment alignment)
 Initializes a copy of the SpatialFeatureAlignment instance alignment. More...
 
int getObjectID ()
 Returns the numeric identifier (ID) of the wrapped C++ class instance. More...
 
None setEntityMatchFunction (BoolFeature2Functor func)
 
BoolFeature2Functor getEntityMatchFunction ()
 
None setEntityPairMatchFunction (BoolFeature4Functor func)
 
BoolFeature4Functor getEntityPairMatchFunction ()
 
None setTopAlignmentConstraintFunction (Chem.BoolSTPairArrayFunctor func)
 
Chem.BoolSTPairArrayFunctor getTopAlignmentConstraintFunction ()
 
None setEntity3DCoordinatesFunction (Feature3DCoordinatesFunction func)
 
Feature3DCoordinatesFunction getEntity3DCoordinatesFunction ()
 
None setEntityWeightFunction (DoubleFeatureFunctor func)
 
DoubleFeatureFunctor getEntityWeightFunction ()
 
None performExhaustiveSearch (bool exhaustive)
 
bool exhaustiveSearchPerformed ()
 
None addEntity (Feature entity, bool first_set)
 
None clearEntities (bool first_set)
 
int getNumEntities (bool first_set)
 
object getEntities (bool first_set)
 
Feature getEntity (int idx, bool first_set)
 
None setMinTopologicalMappingSize (int min_size)
 
int getMinTopologicalMappingSize ()
 
None reset ()
 
bool nextAlignment ()
 
Math.Matrix4D getTransform ()
 
SpatialFeatureAlignment assign (SpatialFeatureAlignment alignment)
 Replaces the current state of self with a copy of the state of the SpatialFeatureAlignment instance alignment. More...
 
Util.STPairArray getTopologicalMapping ()
 

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)
 

Constructor & Destructor Documentation

◆ __init__()

None CDPL.Pharm.SpatialFeatureAlignment.__init__ ( SpatialFeatureAlignment  alignment)

Initializes a copy of the SpatialFeatureAlignment instance alignment.

Parameters
alignmentThe SpatialFeatureAlignment instance to copy.

Member Function Documentation

◆ getObjectID()

int CDPL.Pharm.SpatialFeatureAlignment.getObjectID ( )

Returns the numeric identifier (ID) of the wrapped C++ class instance.

Different Python SpatialFeatureAlignment 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 SpatialFeatureAlignment 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().

Returns
The numeric ID of the internally referenced C++ class instance.

◆ setEntityMatchFunction()

None CDPL.Pharm.SpatialFeatureAlignment.setEntityMatchFunction ( BoolFeature2Functor  func)
Parameters
func

◆ getEntityMatchFunction()

BoolFeature2Functor CDPL.Pharm.SpatialFeatureAlignment.getEntityMatchFunction ( )
Returns

◆ setEntityPairMatchFunction()

None CDPL.Pharm.SpatialFeatureAlignment.setEntityPairMatchFunction ( BoolFeature4Functor  func)
Parameters
func

◆ getEntityPairMatchFunction()

BoolFeature4Functor CDPL.Pharm.SpatialFeatureAlignment.getEntityPairMatchFunction ( )
Returns

◆ setTopAlignmentConstraintFunction()

None CDPL.Pharm.SpatialFeatureAlignment.setTopAlignmentConstraintFunction ( Chem.BoolSTPairArrayFunctor  func)
Parameters
func

◆ getTopAlignmentConstraintFunction()

Chem.BoolSTPairArrayFunctor CDPL.Pharm.SpatialFeatureAlignment.getTopAlignmentConstraintFunction ( )
Returns

◆ setEntity3DCoordinatesFunction()

None CDPL.Pharm.SpatialFeatureAlignment.setEntity3DCoordinatesFunction ( Feature3DCoordinatesFunction  func)
Parameters
func

◆ getEntity3DCoordinatesFunction()

Feature3DCoordinatesFunction CDPL.Pharm.SpatialFeatureAlignment.getEntity3DCoordinatesFunction ( )
Returns

◆ setEntityWeightFunction()

None CDPL.Pharm.SpatialFeatureAlignment.setEntityWeightFunction ( DoubleFeatureFunctor  func)
Parameters
func

◆ getEntityWeightFunction()

DoubleFeatureFunctor CDPL.Pharm.SpatialFeatureAlignment.getEntityWeightFunction ( )
Returns

◆ performExhaustiveSearch()

None CDPL.Pharm.SpatialFeatureAlignment.performExhaustiveSearch ( bool  exhaustive)
Parameters
exhaustive

◆ exhaustiveSearchPerformed()

bool CDPL.Pharm.SpatialFeatureAlignment.exhaustiveSearchPerformed ( )
Returns

◆ addEntity()

None CDPL.Pharm.SpatialFeatureAlignment.addEntity ( Feature  entity,
bool  first_set 
)
Parameters
entity
first_set

◆ clearEntities()

None CDPL.Pharm.SpatialFeatureAlignment.clearEntities ( bool  first_set)
Parameters
first_set

◆ getNumEntities()

int CDPL.Pharm.SpatialFeatureAlignment.getNumEntities ( bool  first_set)
Parameters
first_set
Returns

◆ getEntities()

object CDPL.Pharm.SpatialFeatureAlignment.getEntities ( bool  first_set)
Parameters
first_set
Returns

◆ getEntity()

Feature CDPL.Pharm.SpatialFeatureAlignment.getEntity ( int  idx,
bool  first_set 
)
Parameters
idx
first_set
Returns

◆ setMinTopologicalMappingSize()

None CDPL.Pharm.SpatialFeatureAlignment.setMinTopologicalMappingSize ( int  min_size)
Parameters
min_size

◆ getMinTopologicalMappingSize()

int CDPL.Pharm.SpatialFeatureAlignment.getMinTopologicalMappingSize ( )
Returns

◆ reset()

None CDPL.Pharm.SpatialFeatureAlignment.reset ( )
Parameters
reset

◆ nextAlignment()

bool CDPL.Pharm.SpatialFeatureAlignment.nextAlignment ( )
Returns

◆ getTransform()

Math.Matrix4D CDPL.Pharm.SpatialFeatureAlignment.getTransform ( )
Returns

◆ assign()

SpatialFeatureAlignment CDPL.Pharm.SpatialFeatureAlignment.assign ( SpatialFeatureAlignment  alignment)

Replaces the current state of self with a copy of the state of the SpatialFeatureAlignment instance alignment.

Parameters
alignmentThe SpatialFeatureAlignment instance to copy.
Returns
self

◆ getTopologicalMapping()

Util.STPairArray CDPL.Pharm.SpatialFeatureAlignment.getTopologicalMapping ( )
Returns