Chemical Data Processing Library Python API - Version 1.1.1
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PharmacophoreFitScreeningScore. More...
Public Member Functions | |
None | __init__ (PharmacophoreFitScreeningScore score) |
Initializes a copy of the PharmacophoreFitScreeningScore instance score. More... | |
None | __init__ (float match_cnt_weight=1.0, float pos_match_weight=0.5, float geom_match_weight=0.4) |
Initializes the PharmacophoreFitScreeningScore instance. More... | |
float | __call__ (SearchHit hit) |
Public Member Functions inherited from CDPL.Pharm.PharmacophoreFitScore | |
None | __init__ (PharmacophoreFitScore score) |
Initializes a copy of the PharmacophoreFitScore instance score. More... | |
int | getObjectID () |
Returns the numeric identifier (ID) of the wrapped C++ class instance. More... | |
PharmacophoreFitScore | assign (PharmacophoreFitScore score) |
Replaces the current state of self with a copy of the state of the PharmacophoreFitScore instance score. More... | |
float | getFeatureMatchCountWeight () |
None | setFeatureMatchCountWeight (float weight) |
float | getFeaturePositionMatchWeight () |
None | setFeaturePositionMatchWeight (float weight) |
float | getFeatureGeometryMatchWeight () |
None | setFeatureGeometryMatchWeight (float weight) |
float | __call__ (FeatureContainer ref_ftrs, FeatureContainer algnd_ftrs, Math.Matrix4D xform) |
float | __call__ (FeatureContainer ref_ftrs, SpatialFeatureMapping mapping) |
Additional Inherited Members | |
Static Public Attributes inherited from CDPL.Pharm.PharmacophoreFitScore | |
float | DEF_FTR_MATCH_COUNT_WEIGHT = 1.0 |
float | DEF_FTR_POS_MATCH_WEIGHT = 0.5 |
float | DEF_FTR_GEOM_MATCH_WEIGHT = 0.4 |
Properties inherited from CDPL.Pharm.PharmacophoreFitScore | |
objectID = property(getObjectID) | |
featureMatchCountWeight = property(getFeatureMatchCountWeight, setFeatureMatchCountWeight) | |
featurePositionMatchWeight = property(getFeaturePositionMatchWeight, setFeaturePositionMatchWeight) | |
featureGeometryMatchWeight = property(getFeatureGeometryMatchWeight, setFeatureGeometryMatchWeight) | |
None CDPL.Pharm.PharmacophoreFitScreeningScore.__init__ | ( | PharmacophoreFitScreeningScore | score | ) |
Initializes a copy of the PharmacophoreFitScreeningScore instance score.
score | The PharmacophoreFitScreeningScore instance to copy. |
None CDPL.Pharm.PharmacophoreFitScreeningScore.__init__ | ( | float | match_cnt_weight = 1.0 , |
float | pos_match_weight = 0.5 , |
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float | geom_match_weight = 0.4 |
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) |
Initializes the PharmacophoreFitScreeningScore instance.
match_cnt_weight | |
pos_match_weight | |
geom_match_weight |
Reimplemented from CDPL.Pharm.PharmacophoreFitScore.
float CDPL.Pharm.PharmacophoreFitScreeningScore.__call__ | ( | SearchHit | hit | ) |
hit |