Chemical Data Processing Library Python API - Version 1.4.0
Public Member Functions | List of all members
CDPL.Shape.ExactGaussianShapeOverlapFunction Class Reference

Shape.GaussianShapeOverlapFunction implementation that evaluates the overlap analytically using the full Gaussian-product expansion (no approximations). More...

+ Inheritance diagram for CDPL.Shape.ExactGaussianShapeOverlapFunction:

Public Member Functions

None __init__ ()
 Constructs the ExactGaussianShapeOverlapFunction instance without associated shape functions.
 
None __init__ (GaussianShapeFunction ref_shape_func, GaussianShapeFunction ovl_shape_func)
 Constructs the ExactGaussianShapeOverlapFunction instance with the given reference and aligned shape functions. More...
 
None __init__ (ExactGaussianShapeOverlapFunction func)
 Constructs a copy of the ExactGaussianShapeOverlapFunction instance func. More...
 
ExactGaussianShapeOverlapFunction assign (ExactGaussianShapeOverlapFunction func)
 Copy assignment operator. More...
 
- Public Member Functions inherited from CDPL.Shape.GaussianShapeOverlapFunction
int getObjectID ()
 Returns the numeric identifier (ID) of the wrapped C++ class instance. More...
 
None setShapeFunction (GaussianShapeFunction func, bool is_ref)
 Specifies the reference or aligned shape function used by the overlap evaluation. More...
 
GaussianShapeFunction getShapeFunction (bool ref)
 Returns the reference or aligned shape function. More...
 
None setColorMatchFunction (Pharm.BoolSizeType2Functor func)
 Specifies the function used to decide whether two color features match. More...
 
Pharm.BoolSizeType2Functor getColorMatchFunction ()
 Returns the currently configured color-match function. More...
 
None setColorFilterFunction (BoolSizeTypeFunctor func)
 Specifies the function used to filter color features by type. More...
 
BoolSizeTypeFunctor getColorFilterFunction ()
 Returns the currently configured color-filter function. More...
 
float calcSelfOverlap (bool ref)
 Calculates the shape-only self-overlap of the reference or aligned shape function. More...
 
float calcColorSelfOverlap (bool ref)
 Calculates the color self-overlap of the reference or aligned shape function. More...
 
float calcOverlap ()
 Calculates the shape-only overlap of the reference and aligned shape functions. More...
 
float calcOverlap (Math.Vector3DArray coords)
 Calculates the shape-only overlap with the aligned shape element positions taken from coords. More...
 
float calcColorOverlap ()
 Calculates the color overlap of the reference and aligned shape functions. More...
 
float calcColorOverlap (Math.Vector3DArray coords)
 Calculates the color overlap with the aligned shape element positions taken from coords. More...
 
float calcOverlapGradient (Math.Vector3DArray coords, Math.Vector3DArray grad)
 Calculates the shape overlap with the aligned shape element positions taken from coords and returns the gradient with respect to those positions. More...
 

Additional Inherited Members

- Properties inherited from CDPL.Shape.GaussianShapeOverlapFunction
 objectID = property(getObjectID)
 
 colorMatchFunction = property(getColorMatchFunction, setColorMatchFunction)
 
 colorFilterFunction = property(getColorFilterFunction, setColorFilterFunction)
 

Detailed Description

Shape.GaussianShapeOverlapFunction implementation that evaluates the overlap analytically using the full Gaussian-product expansion (no approximations).

The exact evaluation is more accurate but typically slower than Shape.FastGaussianShapeOverlapFunction.

Constructor & Destructor Documentation

◆ __init__() [1/2]

None CDPL.Shape.ExactGaussianShapeOverlapFunction.__init__ ( GaussianShapeFunction  ref_shape_func,
GaussianShapeFunction  ovl_shape_func 
)

Constructs the ExactGaussianShapeOverlapFunction instance with the given reference and aligned shape functions.

Parameters
ref_shape_funcThe reference shape function.
ovl_shape_funcThe aligned shape function.

◆ __init__() [2/2]

None CDPL.Shape.ExactGaussianShapeOverlapFunction.__init__ ( ExactGaussianShapeOverlapFunction  func)

Constructs a copy of the ExactGaussianShapeOverlapFunction instance func.

Parameters
funcThe ExactGaussianShapeOverlapFunction to copy.

Member Function Documentation

◆ assign()

ExactGaussianShapeOverlapFunction CDPL.Shape.ExactGaussianShapeOverlapFunction.assign ( ExactGaussianShapeOverlapFunction  func)

Copy assignment operator.

Parameters
funcThe other ExactGaussianShapeOverlapFunction instance.
Returns
self