Chemical Data Processing Library Python API - Version 1.1.1
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None CDPL.Shape.GaussianShapeAlignment.__init__ | ( | GaussianShape | ref_shape | ) |
Initializes the GaussianShapeAlignment instance.
ref_shape |
None CDPL.Shape.GaussianShapeAlignment.__init__ | ( | GaussianShapeSet | ref_shapes | ) |
Initializes the GaussianShapeAlignment instance.
ref_shapes |
int CDPL.Shape.GaussianShapeAlignment.getObjectID | ( | ) |
Returns the numeric identifier (ID) of the wrapped C++ class instance.
Different Python GaussianShapeAlignment 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 GaussianShapeAlignment 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()
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None CDPL.Shape.GaussianShapeAlignment.setOverlapFunction | ( | GaussianShapeOverlapFunction | func | ) |
func |
GaussianShapeOverlapFunction CDPL.Shape.GaussianShapeAlignment.getOverlapFunction | ( | ) |
FastGaussianShapeOverlapFunction CDPL.Shape.GaussianShapeAlignment.getDefaultOverlapFunction | ( | ) |
None CDPL.Shape.GaussianShapeAlignment.setStartGenerator | ( | GaussianShapeAlignmentStartGenerator | gen | ) |
gen |
GaussianShapeAlignmentStartGenerator CDPL.Shape.GaussianShapeAlignment.getStartGenerator | ( | ) |
PrincipalAxesAlignmentStartGenerator CDPL.Shape.GaussianShapeAlignment.getDefaultStartGenerator | ( | ) |
None CDPL.Shape.GaussianShapeAlignment.setColorMatchFunction | ( | Pharm.BoolSizeType2Functor | func | ) |
func |
Pharm.BoolSizeType2Functor CDPL.Shape.GaussianShapeAlignment.getColorMatchFunction | ( | ) |
None CDPL.Shape.GaussianShapeAlignment.setColorFilterFunction | ( | BoolSizeTypeFunctor | func | ) |
func |
BoolSizeTypeFunctor CDPL.Shape.GaussianShapeAlignment.getColorFilterFunction | ( | ) |
None CDPL.Shape.GaussianShapeAlignment.setResultCompareFunction | ( | BoolAlignmentResult2Functor | func | ) |
func |
BoolAlignmentResult2Functor CDPL.Shape.GaussianShapeAlignment.getResultCompareFunction | ( | ) |
None CDPL.Shape.GaussianShapeAlignment.setScoringFunction | ( | DoubleAlignmentResultFunctor | func | ) |
func |
DoubleAlignmentResultFunctor CDPL.Shape.GaussianShapeAlignment.getScoringFunction | ( | ) |
None CDPL.Shape.GaussianShapeAlignment.setResultSelectionMode | ( | int | mode | ) |
mode |
int CDPL.Shape.GaussianShapeAlignment.getResultSelectionMode | ( | ) |
None CDPL.Shape.GaussianShapeAlignment.setMaxNumOptimizationIterations | ( | int | max_iter | ) |
max_iter |
int CDPL.Shape.GaussianShapeAlignment.getMaxNumOptimizationIterations | ( | ) |
None CDPL.Shape.GaussianShapeAlignment.setOptimizationStopGradient | ( | float | grad_norm | ) |
grad_norm |
float CDPL.Shape.GaussianShapeAlignment.getOptimizationStopGradient | ( | ) |
None CDPL.Shape.GaussianShapeAlignment.performAlignment | ( | bool | perf_align | ) |
perf_align |
bool CDPL.Shape.GaussianShapeAlignment.performAlignment | ( | ) |
None CDPL.Shape.GaussianShapeAlignment.optimizeOverlap | ( | bool | optimize | ) |
optimize |
bool CDPL.Shape.GaussianShapeAlignment.optimizeOverlap | ( | ) |
None CDPL.Shape.GaussianShapeAlignment.greedyOptimization | ( | bool | greedy | ) |
greedy |
bool CDPL.Shape.GaussianShapeAlignment.greedyOptimization | ( | ) |
None CDPL.Shape.GaussianShapeAlignment.calcColorOverlaps | ( | bool | calc | ) |
calc |
bool CDPL.Shape.GaussianShapeAlignment.calcColorOverlaps | ( | ) |
None CDPL.Shape.GaussianShapeAlignment.calcSelfOverlaps | ( | bool | calc | ) |
calc |
bool CDPL.Shape.GaussianShapeAlignment.calcSelfOverlaps | ( | ) |
None CDPL.Shape.GaussianShapeAlignment.calcColorSelfOverlaps | ( | bool | calc | ) |
calc |
bool CDPL.Shape.GaussianShapeAlignment.calcColorSelfOverlaps | ( | ) |
None CDPL.Shape.GaussianShapeAlignment.setMaxOrder | ( | int | max_order | ) |
max_order |
int CDPL.Shape.GaussianShapeAlignment.getMaxOrder | ( | ) |
None CDPL.Shape.GaussianShapeAlignment.setDistanceCutoff | ( | float | cutoff | ) |
cutoff |
float CDPL.Shape.GaussianShapeAlignment.getDistanceCutoff | ( | ) |
None CDPL.Shape.GaussianShapeAlignment.addReferenceShape | ( | GaussianShape | shape, |
bool | new_set = True |
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) |
shape | |
new_set |
None CDPL.Shape.GaussianShapeAlignment.addReferenceShapes | ( | GaussianShapeSet | shapes, |
bool | new_set = True |
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) |
shapes | |
new_set |
int CDPL.Shape.GaussianShapeAlignment.getNumReferenceShapes | ( | ) |
GaussianShape CDPL.Shape.GaussianShapeAlignment.getReferenceShape | ( | int | idx | ) |
idx |
bool CDPL.Shape.GaussianShapeAlignment.align | ( | GaussianShape | shape | ) |
shape |
bool CDPL.Shape.GaussianShapeAlignment.align | ( | GaussianShapeSet | shapes | ) |
shapes |
int CDPL.Shape.GaussianShapeAlignment.getNumResults | ( | ) |
AlignmentResult CDPL.Shape.GaussianShapeAlignment.getResult | ( | int | idx | ) |
idx |
int CDPL.Shape.GaussianShapeAlignment.__len__ | ( | ) |
AlignmentResult CDPL.Shape.GaussianShapeAlignment.__getitem__ | ( | int | idx | ) |
idx |