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object --+
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??.instance --+
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rdChemicalFeatures.FreeChemicalFeature --+
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FeatMapPoint
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Inherited from Inherited from |
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weight = 0.0
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featDirs = None
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Inherited from |
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__init__( (object)arg1, (str)arg2) -> None :
C++ signature :
void __init__(_object*,std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >)
__init__( (object)arg1) -> None :
Default Constructor
C++ signature :
void __init__(_object*)
__init__( (object)arg1, (str)family, (str)type, (Point3D)loc [, (int)id=-1]) -> None :
Constructor with family, type and location specified
C++ signature :
void __init__(_object*,std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >,std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >,RDGeom::Point3D [,int=-1])
__init__( (object)arg1, (str)family, (Point3D)loc) -> None :
constructor with family and location specified, empty type and id
C++ signature :
void __init__(_object*,std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >,RDGeom::Point3D)
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>>> sfeat = ChemicalFeatures.FreeChemicalFeature('Aromatic','Foo',Geometry.Point3D(0,0,0))
>>> fmp = FeatMapPoint()
>>> fmp.initFromFeat(sfeat)
>>> fmp.GetFamily()==sfeat.GetFamily()
True
>>> fmp.GetType()==sfeat.GetType()
True
>>> list(fmp.GetPos())
[0.0, 0.0, 0.0]
>>> fmp.featDirs == []
True
>>> sfeat.featDirs = [Geometry.Point3D(1.0,0,0)]
>>> fmp.initFromFeat(sfeat)
>>> len(fmp.featDirs)
1
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>>> sfeat = ChemicalFeatures.FreeChemicalFeature('Aromatic','Foo',Geometry.Point3D(0,0,0))
>>> fmp = FeatMapPoint()
>>> fmp.initFromFeat(sfeat)
>>> fmp.GetDist2(sfeat)
0.0
>>> sfeat.SetPos(Geometry.Point3D(2,0,0))
>>> fmp.GetDist2(sfeat)
4.0
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>>> sfeat = ChemicalFeatures.FreeChemicalFeature('Aromatic','Foo',Geometry.Point3D(0,0,0))
>>> fmp = FeatMapPoint()
>>> fmp.initFromFeat(sfeat)
>>> fmp.GetDirMatch(sfeat)
1.0
>>> sfeat.featDirs=[Geometry.Point3D(0,0,1),Geometry.Point3D(0,0,-1)]
>>> fmp.featDirs=[Geometry.Point3D(0,0,1),Geometry.Point3D(1,0,0)]
>>> fmp.GetDirMatch(sfeat)
1.0
>>> fmp.GetDirMatch(sfeat,useBest=True)
1.0
>>> fmp.GetDirMatch(sfeat,useBest=False)
0.0
>>> sfeat.featDirs=[Geometry.Point3D(0,0,1)]
>>> fmp.GetDirMatch(sfeat,useBest=False)
0.5
>>> sfeat.featDirs=[Geometry.Point3D(0,0,1)]
>>> fmp.featDirs=[Geometry.Point3D(0,0,-1)]
>>> fmp.GetDirMatch(sfeat)
-1.0
>>> fmp.GetDirMatch(sfeat,useBest=False)
-1.0
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