Chemical Data Processing Library Python API - Version 1.1.1
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Classes | |
class | Result |
Static Public Attributes | |
float | DEF_OPTIMIZATION_STOP_GRADIENT = 1.0 |
int | DEF_MAX_OPTIMIZATION_ITERATIONS = 20 |
Properties | |
objectID = property(getObjectID) | |
numResults = property(getNumResults) | |
overlapFunction = property(getOverlapFunction, setOverlapFunction) | |
defaultOverlapFunction = property(getDefaultOverlapFunction) | |
reference = property(getReference, setReference) | |
startGenerator = property(getStartGenerator, setStartGenerator) | |
defaultStartGenerator = property(getDefaultStartGenerator) | |
colorMatchFunction = property(getColorMatchFunction, setColorMatchFunction) | |
colorFilterFunction = property(getColorFilterFunction, setColorFilterFunction) | |
perfAlignment = property(performAlignment, performAlignment) | |
maxNumOptIterations = property(getMaxNumOptimizationIterations, setMaxNumOptimizationIterations) | |
optStopGradient = property(getOptimizationStopGradient, setOptimizationStopGradient) | |
optOverlap = property(optimizeOverlap, optimizeOverlap) | |
greedyOpt = property(greedyOptimization, greedyOptimization) | |
colorOverlaps = property(calcColorOverlaps, calcColorOverlaps) | |
None CDPL.Shape.GaussianShapeFunctionAlignment.__init__ | ( | GaussianShapeFunction | ref_func, |
int | sym_class | ||
) |
Initializes the GaussianShapeFunctionAlignment instance.
ref_func | |
sym_class |
int CDPL.Shape.GaussianShapeFunctionAlignment.getObjectID | ( | ) |
Returns the numeric identifier (ID) of the wrapped C++ class instance.
Different Python GaussianShapeFunctionAlignment 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 GaussianShapeFunctionAlignment 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.Shape.GaussianShapeFunctionAlignment.setOverlapFunction | ( | GaussianShapeOverlapFunction | func | ) |
func |
GaussianShapeOverlapFunction CDPL.Shape.GaussianShapeFunctionAlignment.getOverlapFunction | ( | ) |
FastGaussianShapeOverlapFunction CDPL.Shape.GaussianShapeFunctionAlignment.getDefaultOverlapFunction | ( | ) |
None CDPL.Shape.GaussianShapeFunctionAlignment.setReference | ( | GaussianShapeFunction | func, |
int | sym_class | ||
) |
func | |
sym_class |
GaussianShapeFunction CDPL.Shape.GaussianShapeFunctionAlignment.getReference | ( | ) |
None CDPL.Shape.GaussianShapeFunctionAlignment.setStartGenerator | ( | GaussianShapeAlignmentStartGenerator | gen | ) |
gen |
GaussianShapeAlignmentStartGenerator CDPL.Shape.GaussianShapeFunctionAlignment.getStartGenerator | ( | ) |
PrincipalAxesAlignmentStartGenerator CDPL.Shape.GaussianShapeFunctionAlignment.getDefaultStartGenerator | ( | ) |
None CDPL.Shape.GaussianShapeFunctionAlignment.setColorMatchFunction | ( | Pharm.BoolSizeType2Functor | func | ) |
func |
Pharm.BoolSizeType2Functor CDPL.Shape.GaussianShapeFunctionAlignment.getColorMatchFunction | ( | ) |
None CDPL.Shape.GaussianShapeFunctionAlignment.setColorFilterFunction | ( | BoolSizeTypeFunctor | func | ) |
func |
BoolSizeTypeFunctor CDPL.Shape.GaussianShapeFunctionAlignment.getColorFilterFunction | ( | ) |
None CDPL.Shape.GaussianShapeFunctionAlignment.performAlignment | ( | bool | perf_align | ) |
perf_align |
bool CDPL.Shape.GaussianShapeFunctionAlignment.performAlignment | ( | ) |
None CDPL.Shape.GaussianShapeFunctionAlignment.setMaxNumOptimizationIterations | ( | int | max_iter | ) |
max_iter |
int CDPL.Shape.GaussianShapeFunctionAlignment.getMaxNumOptimizationIterations | ( | ) |
None CDPL.Shape.GaussianShapeFunctionAlignment.setOptimizationStopGradient | ( | float | grad_norm | ) |
grad_norm |
float CDPL.Shape.GaussianShapeFunctionAlignment.getOptimizationStopGradient | ( | ) |
None CDPL.Shape.GaussianShapeFunctionAlignment.optimizeOverlap | ( | bool | optimize | ) |
optimize |
bool CDPL.Shape.GaussianShapeFunctionAlignment.optimizeOverlap | ( | ) |
None CDPL.Shape.GaussianShapeFunctionAlignment.greedyOptimization | ( | bool | greedy | ) |
greedy |
bool CDPL.Shape.GaussianShapeFunctionAlignment.greedyOptimization | ( | ) |
int CDPL.Shape.GaussianShapeFunctionAlignment.setupReference | ( | GaussianShapeFunction | func, |
Math.Matrix4D | xform | ||
) |
func | |
xform |
int CDPL.Shape.GaussianShapeFunctionAlignment.setupAligned | ( | GaussianShapeFunction | func, |
Math.Matrix4D | xform | ||
) |
func | |
xform |
float CDPL.Shape.GaussianShapeFunctionAlignment.calcSelfOverlap | ( | GaussianShapeFunction | calc | ) |
calc |
float CDPL.Shape.GaussianShapeFunctionAlignment.calcColorSelfOverlap | ( | GaussianShapeFunction | calc | ) |
calc |
None CDPL.Shape.GaussianShapeFunctionAlignment.calcColorOverlaps | ( | bool | calc | ) |
calc |
bool CDPL.Shape.GaussianShapeFunctionAlignment.calcColorOverlaps | ( | ) |
bool CDPL.Shape.GaussianShapeFunctionAlignment.align | ( | GaussianShapeFunction | func, |
int | sym_class | ||
) |
func | |
sym_class |
int CDPL.Shape.GaussianShapeFunctionAlignment.getNumResults | ( | ) |
Result CDPL.Shape.GaussianShapeFunctionAlignment.getResult | ( | int | idx | ) |
idx |
int CDPL.Shape.GaussianShapeFunctionAlignment.__len__ | ( | ) |
Result CDPL.Shape.GaussianShapeFunctionAlignment.__getitem__ | ( | int | idx | ) |
idx |