Package schrodinger :: Package infra :: Module phase :: Class PhpFastShape

Class PhpFastShape

object --+
         |
        PhpFastShape

Proxy of C++ PhpFastShape class

Instance Methods

[hide private]

__repr__(self)
repr(x)

__init__(self, *args)
__init__(PhpFastShape self, SwigVectorDoubleVector xyz, SwigDoubleVector r, int norm=1, int maxMap=8, int maxAlt=1) -> PhpFastShape...

__swig_destroy__(...)
delete_PhpFastShape(PhpFastShape self)

alignCt(...)
PhpFastShape_alignCt(PhpFastShape self, MM_Index ctHandle, double const [3] trans, double const [3][3] rot)

alignCtPy(...)
PhpFastShape_alignCtPy(PhpFastShape self, MM_Index ctHandle, SwigDoubleVector simTrans)

computeShapeSimPy(...)
PhpFastShape_computeShapeSimPy(PhpFastShape self, MM_Index ctHandle, bool first, bool inplace) -> SwigDoubleVector

computeShapeSim(...)
computeShapeSim(SwigVectorDoubleVector xyz, SwigDoubleVector r, bool first, bool inplace, double & sim, ...

setDebug(...)
PhpFastShape_setDebug(PhpFastShape self, bool debug)

Inherited from object: __delattr__, __format__, __getattribute__, __hash__, __new__, __reduce__, __reduce_ex__, __setattr__, __sizeof__, __str__, __subclasshook__

Properties

[hide private]

thisown
The membership flag

Inherited from object: __class__

Method Details

[hide private]

repr(self)
(Representation operator)

repr(x)

Overrides: object.__repr__: (inherited documentation)

init(self, args)
(Constructor)*


__init__(PhpFastShape self, SwigVectorDoubleVector xyz, SwigDoubleVector r, int norm=1, int maxMap=8, int maxAlt=1) -> PhpFastShape
__init__(PhpFastShape self, SwigVectorDoubleVector xyz, SwigDoubleVector r, SwigIntVector stype, int norm=1, 
    int maxMap=8, int maxAlt=1) -> PhpFastShape
__init__(PhpFastShape self, SwigVectorDoubleVector xyz, SwigDoubleVector r, SwigIntVector stype, SwigDoubleVector weight, 
    int norm=1, int maxMap=8, int maxAlt=1) -> PhpFastShape
__init__(PhpFastShape self, MM_Index ctHandle, bool hydrogens, std::string const & atype, std::string const & weight, 
    int norm=1, int maxMap=8, int maxAlt=1) -> PhpFastShape
__init__(PhpFastShape self, std::vector< PhpSite,std::allocator< PhpSite > > const & sites, PhpFeatureData radii, 
    PhpLcsMap const & lcsMap, int norm=1, int maxMap=8, int maxAlt=1) -> PhpFastShape
__init__(PhpFastShape self, PhpFastShape rhs) -> PhpFastShape

Overrides: object.__init__

computeShapeSim(...)


computeShapeSim(SwigVectorDoubleVector xyz, SwigDoubleVector r, bool first, bool inplace, double & sim, 
    double [3] trans, double [3][3] rot)
computeShapeSim(SwigVectorDoubleVector xyz, SwigDoubleVector r, SwigIntVector stype, bool first, 
    bool inplace, double & sim, double [3] trans, double [3][3] rot)
computeShapeSim(MM_Index ctHandle, bool first, bool inplace, double & sim, double [3] trans, double [3][3] rot)
PhpFastShape_computeShapeSim(PhpFastShape self, std::vector< PhpSite,std::allocator< PhpSite > > const & sites, 
    PhpLcsMap const & lcsMap, bool first, bool inplace, double & sim, double [3] trans, 
    double [3][3] rot)

Property Details

[hide private]

thisown

The membership flag

Get Method:: unreachable(x)
Set Method:: unreachable(x, v)

Class PhpFastShape

__repr__(self) (Representation operator)

__init__(self, *args) (Constructor)

computeShapeSim(...)

thisown

repr(self)
(Representation operator)

init(self, args)
(Constructor)*