PharmacophoreFitScore.
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float | DEF_FTR_MATCH_COUNT_WEIGHT = 1.0 |
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float | DEF_FTR_POS_MATCH_WEIGHT = 0.5 |
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float | DEF_FTR_GEOM_MATCH_WEIGHT = 0.4 |
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◆ __init__() [1/2]
Initializes a copy of the PharmacophoreFitScore instance score.
- Parameters
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score | The PharmacophoreFitScore instance to copy. |
◆ __init__() [2/2]
None CDPL.Pharm.PharmacophoreFitScore.__init__ |
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float |
match_cnt_weight = 1.0 , |
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float |
pos_match_weight = 0.5 , |
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float |
geom_match_weight = 0.4 |
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) |
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◆ getObjectID()
int CDPL.Pharm.PharmacophoreFitScore.getObjectID |
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Returns the numeric identifier (ID) of the wrapped C++ class instance.
Different Python PharmacophoreFitScore 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 PharmacophoreFitScore 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.
◆ assign()
Replaces the current state of self with a copy of the state of the PharmacophoreFitScore instance score.
- Parameters
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score | The PharmacophoreFitScore instance to copy. |
- Returns
- self
◆ getFeatureMatchCountWeight()
float CDPL.Pharm.PharmacophoreFitScore.getFeatureMatchCountWeight |
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◆ setFeatureMatchCountWeight()
None CDPL.Pharm.PharmacophoreFitScore.setFeatureMatchCountWeight |
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float |
weight | ) |
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◆ getFeaturePositionMatchWeight()
float CDPL.Pharm.PharmacophoreFitScore.getFeaturePositionMatchWeight |
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◆ setFeaturePositionMatchWeight()
None CDPL.Pharm.PharmacophoreFitScore.setFeaturePositionMatchWeight |
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float |
weight | ) |
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◆ getFeatureGeometryMatchWeight()
float CDPL.Pharm.PharmacophoreFitScore.getFeatureGeometryMatchWeight |
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◆ setFeatureGeometryMatchWeight()
None CDPL.Pharm.PharmacophoreFitScore.setFeatureGeometryMatchWeight |
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float |
weight | ) |
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◆ __call__() [1/2]
- Parameters
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ref_ftrs | |
algnd_ftrs | |
xform | |
- Returns
◆ __call__() [2/2]