Chemical Data Processing Library Python API - Version 1.2.0
Public Member Functions | Properties | List of all members
CDPL.Chem.SpatialEntity3DAlignment Class Reference
+ Inheritance diagram for CDPL.Chem.SpatialEntity3DAlignment:

Public Member Functions

None __init__ ()
 Initializes the SpatialEntity3DAlignment instance.
 
None __init__ (SpatialEntity3DAlignment alignment)
 Initializes a copy of the SpatialEntity3DAlignment instance alignment. More...
 
int getObjectID ()
 Returns the numeric identifier (ID) of the wrapped C++ class instance. More...
 
None setEntityMatchFunction (BoolEntity3D2Functor func)
 
BoolEntity3D2Functor getEntityMatchFunction ()
 
None setEntityPairMatchFunction (BoolEntity3D4Functor func)
 
BoolEntity3D4Functor getEntityPairMatchFunction ()
 
None setTopAlignmentConstraintFunction (BoolSTPairArrayFunctor func)
 
BoolSTPairArrayFunctor getTopAlignmentConstraintFunction ()
 
None setEntity3DCoordinatesFunction (Vector3DEntity3DFunctor func)
 
Vector3DEntity3DFunctor getEntity3DCoordinatesFunction ()
 
None setEntityWeightFunction (DoubleEntity3DFunctor func)
 
DoubleEntity3DFunctor getEntityWeightFunction ()
 
None performExhaustiveSearch (bool exhaustive)
 
bool exhaustiveSearchPerformed ()
 
None addEntity (Entity3D entity, bool first_set)
 
None clearEntities (bool first_set)
 
int getNumEntities (bool first_set)
 
object getEntities (bool first_set)
 
Entity3D getEntity (int idx, bool first_set)
 
None setMinTopologicalMappingSize (int min_size)
 
int getMinTopologicalMappingSize ()
 
None reset ()
 
bool nextAlignment ()
 
Math.Matrix4D getTransform ()
 
SpatialEntity3DAlignment assign (SpatialEntity3DAlignment alignment)
 Replaces the current state of self with a copy of the state of the SpatialEntity3DAlignment 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.Chem.SpatialEntity3DAlignment.__init__ ( SpatialEntity3DAlignment  alignment)

Initializes a copy of the SpatialEntity3DAlignment instance alignment.

Parameters
alignmentThe SpatialEntity3DAlignment instance to copy.

Member Function Documentation

◆ getObjectID()

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().

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

◆ setEntityMatchFunction()

None CDPL.Chem.SpatialEntity3DAlignment.setEntityMatchFunction ( BoolEntity3D2Functor  func)
Parameters
func

◆ getEntityMatchFunction()

BoolEntity3D2Functor CDPL.Chem.SpatialEntity3DAlignment.getEntityMatchFunction ( )
Returns

◆ setEntityPairMatchFunction()

None CDPL.Chem.SpatialEntity3DAlignment.setEntityPairMatchFunction ( BoolEntity3D4Functor  func)
Parameters
func

◆ getEntityPairMatchFunction()

BoolEntity3D4Functor CDPL.Chem.SpatialEntity3DAlignment.getEntityPairMatchFunction ( )
Returns

◆ setTopAlignmentConstraintFunction()

None CDPL.Chem.SpatialEntity3DAlignment.setTopAlignmentConstraintFunction ( BoolSTPairArrayFunctor  func)
Parameters
func

◆ getTopAlignmentConstraintFunction()

BoolSTPairArrayFunctor CDPL.Chem.SpatialEntity3DAlignment.getTopAlignmentConstraintFunction ( )
Returns

◆ setEntity3DCoordinatesFunction()

None CDPL.Chem.SpatialEntity3DAlignment.setEntity3DCoordinatesFunction ( Vector3DEntity3DFunctor  func)
Parameters
func

◆ getEntity3DCoordinatesFunction()

Vector3DEntity3DFunctor CDPL.Chem.SpatialEntity3DAlignment.getEntity3DCoordinatesFunction ( )
Returns

◆ setEntityWeightFunction()

None CDPL.Chem.SpatialEntity3DAlignment.setEntityWeightFunction ( DoubleEntity3DFunctor  func)
Parameters
func

◆ getEntityWeightFunction()

DoubleEntity3DFunctor CDPL.Chem.SpatialEntity3DAlignment.getEntityWeightFunction ( )
Returns

◆ performExhaustiveSearch()

None CDPL.Chem.SpatialEntity3DAlignment.performExhaustiveSearch ( bool  exhaustive)
Parameters
exhaustive

◆ exhaustiveSearchPerformed()

bool CDPL.Chem.SpatialEntity3DAlignment.exhaustiveSearchPerformed ( )
Returns

◆ addEntity()

None CDPL.Chem.SpatialEntity3DAlignment.addEntity ( Entity3D  entity,
bool  first_set 
)
Parameters
entity
first_set

◆ clearEntities()

None CDPL.Chem.SpatialEntity3DAlignment.clearEntities ( bool  first_set)
Parameters
first_set

◆ getNumEntities()

int CDPL.Chem.SpatialEntity3DAlignment.getNumEntities ( bool  first_set)
Parameters
first_set
Returns

◆ getEntities()

object CDPL.Chem.SpatialEntity3DAlignment.getEntities ( bool  first_set)
Parameters
first_set
Returns

◆ getEntity()

Entity3D CDPL.Chem.SpatialEntity3DAlignment.getEntity ( int  idx,
bool  first_set 
)
Parameters
idx
first_set
Returns

◆ setMinTopologicalMappingSize()

None CDPL.Chem.SpatialEntity3DAlignment.setMinTopologicalMappingSize ( int  min_size)
Parameters
min_size

◆ getMinTopologicalMappingSize()

int CDPL.Chem.SpatialEntity3DAlignment.getMinTopologicalMappingSize ( )
Returns

◆ reset()

None CDPL.Chem.SpatialEntity3DAlignment.reset ( )
Parameters
reset

◆ nextAlignment()

bool CDPL.Chem.SpatialEntity3DAlignment.nextAlignment ( )
Returns

◆ getTransform()

Math.Matrix4D CDPL.Chem.SpatialEntity3DAlignment.getTransform ( )
Returns

◆ assign()

SpatialEntity3DAlignment CDPL.Chem.SpatialEntity3DAlignment.assign ( SpatialEntity3DAlignment  alignment)

Replaces the current state of self with a copy of the state of the SpatialEntity3DAlignment instance alignment.

Parameters
alignmentThe SpatialEntity3DAlignment instance to copy.
Returns
self

◆ getTopologicalMapping()

Util.STPairArray CDPL.Chem.SpatialEntity3DAlignment.getTopologicalMapping ( )
Returns