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- atomProb.AtomProb(builtins.object)
-
- AtomProbHeight
- builtins.object
-
- CDSList_DComplex
- CDSList_EigenPair_DComplex
- CDSList_EigenPair_double
- CDSMatrix_float_type
- CDSVectorBase_float_type_long
-
- CDSVector_float_type_0_long_int
- EigenPair_DComplex
- EigenPair_double
class AtomProbHeight(atomProb.AtomProb) |
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AtomProbHeight(*args, **kwargs)
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- Method resolution order:
- AtomProbHeight
- atomProb.AtomProb
- builtins.object
Methods defined here:
- __init__(self, *args, **kwargs)
- Initialize self. See help(type(self)) for accurate signature.
- __repr__ = _swig_repr(self)
- calc(self, *args, **kwargs) -> 'void'
- calcGradient(self, *args, **kwargs) -> 'void'
- gamma(self, *args, **kwargs) -> 'float_type const'
- info(self, *args, **kwargs) -> 'String'
- maxType(self, *args, **kwargs) -> 'AtomProbHeight::MaxType const'
- qc(self, *args, **kwargs) -> 'Vec3 const'
- radiusGradient(self, *args, **kwargs) -> 'CDSVector< float_type >'
- setGamma(self, *args, **kwargs) -> 'void'
- setMaxType(self, *args, **kwargs) -> 'void'
- setQc(self, *args, **kwargs) -> 'void'
- setSigma(self, *args, **kwargs) -> 'void'
- sigma(self, *args, **kwargs) -> 'float_type const'
- zMin(self, *args, **kwargs) -> 'float_type'
- zMinSoft(self, *args, **kwargs) -> 'float_type'
Static methods defined here:
- __swig_destroy__ = delete_AtomProbHeight(...)
Data descriptors defined here:
- heightGrid
- heightSoftGrid
- indexMaxGrid
- indexMin
- sumExpGrid
- thisown
The membership flag
- zMinSoftDenom
- zMinSoft_
- zMin_
Data and other attributes defined here:
- HARD = 0
- LOGSUMEXP = 1
Methods inherited from atomProb.AtomProb:
- atomRadius(self, *args, **kwargs) -> 'double'
- atomWeights(self, *args, **kwargs) -> 'CDSVector< float_type > const'
- copyGrid(self, *args, **kwargs) -> 'void'
- distType(self, *args, **kwargs) -> 'AtomProb::DistType'
- generateGrid(self, *args, **kwargs) -> 'bool const'
- getGrid(self, *args, **kwargs) -> 'DensityGrid *'
- getGridRaw(self, *args, **kwargs) -> 'DensityGrid *'
- gridParams(self, *args, **kwargs) -> 'DensityGrid_Params const'
- mapResolution(self, *args, **kwargs) -> 'float_type const'
- mapType(self, *args, **kwargs) -> 'AtomProb::MapType'
- modified(self, *args, **kwargs) -> 'bool'
- orientation(self, *args, **kwargs) -> 'Mat3 const'
- pyXplorHelp(self, *args, **kwargs) -> 'String'
- radii(self, *args, **kwargs) -> 'CDSVector< float_type > const'
- scaleType(self, *args, **kwargs) -> 'AtomProb::ScaleType'
- selection(self, *args, **kwargs) -> 'AtomSel'
- setAtomRadius(self, *args, **kwargs) -> 'void'
- setAtomWeights(self, *args, **kwargs) -> 'void'
- setDistType(self, *args, **kwargs) -> 'void'
- setGenerateGrid(self, *args, **kwargs) -> 'void'
- setGridParams(self, *args, **kwargs) -> 'void'
- setIsProjection(s, isProjection)
- backwards compatibility
- setMapResolution(self, *args, **kwargs) -> 'void'
- setMapType(self, *args, **kwargs) -> 'void'
- setOrientation(self, *args, **kwargs) -> 'void'
- setRadii(self, *args, **kwargs) -> 'void'
- setScaleType(self, *args, **kwargs) -> 'void'
- setTranslation(self, *args, **kwargs) -> 'void'
- setVerbose(self, *args, **kwargs) -> 'void'
- setWeights(self, *args, **kwargs) -> 'void'
- translation(self, *args, **kwargs) -> 'Vec3 const'
- updateValues(self, *args, **kwargs) -> 'void'
- val(self, *args, **kwargs) -> 'double'
- verbose(self, *args, **kwargs) -> 'bool const'
- weights(self, *args, **kwargs) -> 'CDSVector< float_type >'
- writeEDM(self, *args, **kwargs) -> 'void'
Data descriptors inherited from atomProb.AtomProb:
- __dict__
dictionary for instance variables (if defined)
- __weakref__
list of weak references to the object (if defined)
- d_dR
- d_dt
Data and other attributes inherited from atomProb.AtomProb:
- AMPLITUDE = 0
- DENSITY = 0
- DISTRIBUTION = 1
- FLAT = 3
- GAUSSIAN = 1
- HEIGHT = 2
- NORMALIZE = 2
- OFF = 4
- PROJECTION = 1
- QUARTIC = 0
- QUARTICSPREAD = 2
- VOLUME = 5
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class CDSList_DComplex(builtins.object) |
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CDSList_DComplex(*args)
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Methods defined here:
- __delitem__(self, *args, **kwargs) -> 'void'
- __getitem__(self, *args) -> 'CDSList< DComplex >'
- __getslice__(self, *args, **kwargs) -> 'CDSList< DComplex >'
- __init__(self, *args)
- Initialize self. See help(type(self)) for accurate signature.
- __len__(self, *args, **kwargs) -> 'int'
- __repr__ = _swig_repr(self)
- __setitem__(self, *args, **kwargs) -> 'void'
- append(self, *args, **kwargs) -> 'void'
- help(self, *args, **kwargs) -> 'String'
- remove(self, *args, **kwargs) -> 'void'
- removeAll(self, *args, **kwargs) -> 'void'
Static methods defined here:
- __swig_destroy__ = delete_CDSList_DComplex(...)
Data descriptors defined here:
- __dict__
dictionary for instance variables (if defined)
- __weakref__
list of weak references to the object (if defined)
- thisown
The membership flag
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class CDSList_EigenPair_DComplex(builtins.object) |
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CDSList_EigenPair_DComplex(*args)
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Methods defined here:
- __delitem__(self, *args, **kwargs) -> 'void'
- __getitem__(self, *args) -> 'CDSList< EigenPair< DComplex > >'
- __getslice__(self, *args, **kwargs) -> 'CDSList< EigenPair< DComplex > >'
- __init__(self, *args)
- Initialize self. See help(type(self)) for accurate signature.
- __len__(self, *args, **kwargs) -> 'int'
- __repr__ = _swig_repr(self)
- __setitem__(self, *args, **kwargs) -> 'void'
- append(self, *args, **kwargs) -> 'void'
- help(self, *args, **kwargs) -> 'String'
- remove(self, *args, **kwargs) -> 'void'
- removeAll(self, *args, **kwargs) -> 'void'
Static methods defined here:
- __swig_destroy__ = delete_CDSList_EigenPair_DComplex(...)
Data descriptors defined here:
- __dict__
dictionary for instance variables (if defined)
- __weakref__
list of weak references to the object (if defined)
- thisown
The membership flag
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class CDSList_EigenPair_double(builtins.object) |
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CDSList_EigenPair_double(*args)
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Methods defined here:
- __delitem__(self, *args, **kwargs) -> 'void'
- __getitem__(self, *args) -> 'CDSList< EigenPair< double > >'
- __getslice__(self, *args, **kwargs) -> 'CDSList< EigenPair< double > >'
- __init__(self, *args)
- Initialize self. See help(type(self)) for accurate signature.
- __len__(self, *args, **kwargs) -> 'int'
- __repr__ = _swig_repr(self)
- __setitem__(self, *args, **kwargs) -> 'void'
- append(self, *args, **kwargs) -> 'void'
- help(self, *args, **kwargs) -> 'String'
- remove(self, *args, **kwargs) -> 'void'
- removeAll(self, *args, **kwargs) -> 'void'
Static methods defined here:
- __swig_destroy__ = delete_CDSList_EigenPair_double(...)
Data descriptors defined here:
- __dict__
dictionary for instance variables (if defined)
- __weakref__
list of weak references to the object (if defined)
- thisown
The membership flag
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class CDSMatrix_float_type(builtins.object) |
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CDSMatrix_float_type(*args)
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Methods defined here:
- __add__(self, *args, **kwargs) -> 'CDSMatrix< double >'
- __getitem__(self, *args, **kwargs) -> 'double'
- __iadd__(self, *args, **kwargs) -> 'CDSMatrix< double >'
- __init__(self, *args)
- Initialize self. See help(type(self)) for accurate signature.
- __mul__(self, *args) -> 'CDSMatrix< double >'
- __neg__(self, *args, **kwargs) -> 'CDSMatrix< double >'
- __repr__(self, *args, **kwargs) -> 'String'
- Return repr(self).
- __rmul__(self, *args, **kwargs) -> 'CDSMatrix< double >'
- __setitem__(self, *args, **kwargs) -> 'void'
- __str__(self, *args, **kwargs) -> 'String'
- Return str(self).
- __sub__(self, *args, **kwargs) -> 'CDSMatrix< double >'
- add(self, *args, **kwargs) -> 'void'
- cols(self, *args, **kwargs) -> 'int'
- fromList(s, l)
- get(self, *args, **kwargs) -> 'double'
- rawData(self, *args, **kwargs) -> 'CDSVector< double >'
- resize(self, *args, **kwargs) -> 'void'
- rows(self, *args, **kwargs) -> 'int'
- scale(self, *args, **kwargs) -> 'void'
- set(self, *args) -> 'void'
- setDiag(self, *args) -> 'void'
Static methods defined here:
- __swig_destroy__ = delete_CDSMatrix_float_type(...)
Data descriptors defined here:
- __dict__
dictionary for instance variables (if defined)
- __weakref__
list of weak references to the object (if defined)
- thisown
The membership flag
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class CDSVectorBase_float_type_long(builtins.object) |
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CDSVectorBase_float_type_long(*args)
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Methods defined here:
- __call__(self, *args, **kwargs) -> 'double const &'
- Call self as a function.
- __iadd__(self, *args) -> 'CDSVectorBase< double,CDS::DefaultAlloc,long > &'
- __init__(self, *args)
- Initialize self. See help(type(self)) for accurate signature.
- __isub__(self, *args) -> 'CDSVectorBase< double,CDS::DefaultAlloc,long > &'
- __repr__ = _swig_repr(self)
- copy(self, *args) -> 'CDSVectorBase< double,CDS::DefaultAlloc,long > &'
- count(self, *args, **kwargs) -> 'int'
- data(self, *args) -> 'double const &'
- loadRawArray(self, *args, **kwargs) -> 'void'
- pointer(self, *args) -> 'double *'
- remove(self, *args, **kwargs) -> 'void'
- resize(self, *args, **kwargs) -> 'CDSVectorBase< double,CDS::DefaultAlloc,long > &'
- set(self, *args, **kwargs) -> 'void'
- setAlloc(self, *args, **kwargs) -> 'void'
- size(self, *args, **kwargs) -> 'long'
- splitRep(self, *args, **kwargs) -> 'void'
Static methods defined here:
- __swig_destroy__ = delete_CDSVectorBase_float_type_long(...)
Data descriptors defined here:
- __dict__
dictionary for instance variables (if defined)
- __weakref__
list of weak references to the object (if defined)
- thisown
The membership flag
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CDSVector_float_type = class CDSVector_float_type_0_long_int(CDSVectorBase_float_type_long) |
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CDSVector_float_type(*args)
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- Method resolution order:
- CDSVector_float_type_0_long_int
- CDSVectorBase_float_type_long
- builtins.object
Methods defined here:
- __add__(self, *args) -> 'CDSVector< float_type,0,CDS::DefaultAlloc,long,int >'
- __call__(self, *args) -> 'double const &'
- Call self as a function.
- __getitem__(self, *args, **kwargs)
- __getslice__(self, *args, **kwargs) -> 'CDSVector< float_type,0,CDS::DefaultAlloc,long,int >'
- __iadd__(self, *args) -> 'CDSVector< float_type,0,CDS::DefaultAlloc,long,int >'
- __imul__(self, *args, **kwargs) -> 'CDSVector< float_type,0,CDS::DefaultAlloc,long,int >'
- __init__(self, *args)
- Initialize self. See help(type(self)) for accurate signature.
- __isub__(self, *args) -> 'CDSVector< float_type,0,CDS::DefaultAlloc,long,int >'
- __itruediv__(self, *args, **kwargs) -> 'CDSVector< float_type,0,CDS::DefaultAlloc,long,int >'
- __len__(self, *args, **kwargs) -> 'long'
- __mul__(self, *args) -> 'CDSVector< float_type,0,CDS::DefaultAlloc,long,int >'
- __neg__(self, *args, **kwargs) -> 'CDSVector< float_type,0,CDS::DefaultAlloc,long,int >'
- __pow__(self, *args, **kwargs) -> 'CDSVector< float_type,0,CDS::DefaultAlloc,long,int >'
- __radd__(self, *args, **kwargs) -> 'CDSVector< float_type,0,CDS::DefaultAlloc,long,int >'
- __repr__ = _swig_repr(self)
- __rmul__(self, *args, **kwargs) -> 'CDSVector< float_type,0,CDS::DefaultAlloc,long,int >'
- __rsub__(self, *args, **kwargs) -> 'CDSVector< float_type,0,CDS::DefaultAlloc,long,int >'
- __rtruediv__(self, *args, **kwargs) -> 'CDSVector< float_type,0,CDS::DefaultAlloc,long,int >'
- __setitem__(self, *args, **kwargs) -> 'void'
- __str__(self, *args, **kwargs) -> 'String'
- Return str(self).
- __sub__(self, *args) -> 'CDSVector< float_type,0,CDS::DefaultAlloc,long,int >'
- __truediv__(self, *args) -> 'CDSVector< float_type,0,CDS::DefaultAlloc,long,int >'
- append(self, *args, **kwargs) -> 'void'
- fromList(s, l)
- get(self, *args, **kwargs) -> 'double'
- help(self, *args, **kwargs) -> 'String'
- offset(self, *args, **kwargs) -> 'int'
- scale(self, *args, **kwargs) -> 'void'
Static methods defined here:
- __swig_destroy__ = delete_CDSVector_float_type_0_long_int(...)
Data descriptors defined here:
- thisown
The membership flag
Methods inherited from CDSVectorBase_float_type_long:
- copy(self, *args) -> 'CDSVectorBase< double,CDS::DefaultAlloc,long > &'
- count(self, *args, **kwargs) -> 'int'
- data(self, *args) -> 'double const &'
- loadRawArray(self, *args, **kwargs) -> 'void'
- pointer(self, *args) -> 'double *'
- remove(self, *args, **kwargs) -> 'void'
- resize(self, *args, **kwargs) -> 'CDSVectorBase< double,CDS::DefaultAlloc,long > &'
- set(self, *args, **kwargs) -> 'void'
- setAlloc(self, *args, **kwargs) -> 'void'
- size(self, *args, **kwargs) -> 'long'
- splitRep(self, *args, **kwargs) -> 'void'
Data descriptors inherited from CDSVectorBase_float_type_long:
- __dict__
dictionary for instance variables (if defined)
- __weakref__
list of weak references to the object (if defined)
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class CDSVector_float_type_0_long_int(CDSVectorBase_float_type_long) |
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CDSVector_float_type_0_long_int(*args)
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- Method resolution order:
- CDSVector_float_type_0_long_int
- CDSVectorBase_float_type_long
- builtins.object
Methods defined here:
- __add__(self, *args) -> 'CDSVector< float_type,0,CDS::DefaultAlloc,long,int >'
- __call__(self, *args) -> 'double const &'
- Call self as a function.
- __getitem__(self, *args, **kwargs)
- __getslice__(self, *args, **kwargs) -> 'CDSVector< float_type,0,CDS::DefaultAlloc,long,int >'
- __iadd__(self, *args) -> 'CDSVector< float_type,0,CDS::DefaultAlloc,long,int >'
- __imul__(self, *args, **kwargs) -> 'CDSVector< float_type,0,CDS::DefaultAlloc,long,int >'
- __init__(self, *args)
- Initialize self. See help(type(self)) for accurate signature.
- __isub__(self, *args) -> 'CDSVector< float_type,0,CDS::DefaultAlloc,long,int >'
- __itruediv__(self, *args, **kwargs) -> 'CDSVector< float_type,0,CDS::DefaultAlloc,long,int >'
- __len__(self, *args, **kwargs) -> 'long'
- __mul__(self, *args) -> 'CDSVector< float_type,0,CDS::DefaultAlloc,long,int >'
- __neg__(self, *args, **kwargs) -> 'CDSVector< float_type,0,CDS::DefaultAlloc,long,int >'
- __pow__(self, *args, **kwargs) -> 'CDSVector< float_type,0,CDS::DefaultAlloc,long,int >'
- __radd__(self, *args, **kwargs) -> 'CDSVector< float_type,0,CDS::DefaultAlloc,long,int >'
- __repr__ = _swig_repr(self)
- __rmul__(self, *args, **kwargs) -> 'CDSVector< float_type,0,CDS::DefaultAlloc,long,int >'
- __rsub__(self, *args, **kwargs) -> 'CDSVector< float_type,0,CDS::DefaultAlloc,long,int >'
- __rtruediv__(self, *args, **kwargs) -> 'CDSVector< float_type,0,CDS::DefaultAlloc,long,int >'
- __setitem__(self, *args, **kwargs) -> 'void'
- __str__(self, *args, **kwargs) -> 'String'
- Return str(self).
- __sub__(self, *args) -> 'CDSVector< float_type,0,CDS::DefaultAlloc,long,int >'
- __truediv__(self, *args) -> 'CDSVector< float_type,0,CDS::DefaultAlloc,long,int >'
- append(self, *args, **kwargs) -> 'void'
- fromList(s, l)
- get(self, *args, **kwargs) -> 'double'
- help(self, *args, **kwargs) -> 'String'
- offset(self, *args, **kwargs) -> 'int'
- scale(self, *args, **kwargs) -> 'void'
Static methods defined here:
- __swig_destroy__ = delete_CDSVector_float_type_0_long_int(...)
Data descriptors defined here:
- thisown
The membership flag
Methods inherited from CDSVectorBase_float_type_long:
- copy(self, *args) -> 'CDSVectorBase< double,CDS::DefaultAlloc,long > &'
- count(self, *args, **kwargs) -> 'int'
- data(self, *args) -> 'double const &'
- loadRawArray(self, *args, **kwargs) -> 'void'
- pointer(self, *args) -> 'double *'
- remove(self, *args, **kwargs) -> 'void'
- resize(self, *args, **kwargs) -> 'CDSVectorBase< double,CDS::DefaultAlloc,long > &'
- set(self, *args, **kwargs) -> 'void'
- setAlloc(self, *args, **kwargs) -> 'void'
- size(self, *args, **kwargs) -> 'long'
- splitRep(self, *args, **kwargs) -> 'void'
Data descriptors inherited from CDSVectorBase_float_type_long:
- __dict__
dictionary for instance variables (if defined)
- __weakref__
list of weak references to the object (if defined)
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class EigenPair_DComplex(builtins.object) |
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EigenPair_DComplex(*args, **kwargs)
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Methods defined here:
- __init__(self, *args, **kwargs)
- Initialize self. See help(type(self)) for accurate signature.
- __repr__ = _swig_repr(self)
- value(self, *args, **kwargs) -> 'DComplex'
- vector(self, *args, **kwargs) -> 'CDSList< DComplex >'
Static methods defined here:
- __swig_destroy__ = delete_EigenPair_DComplex(...)
Data descriptors defined here:
- __dict__
dictionary for instance variables (if defined)
- __weakref__
list of weak references to the object (if defined)
- thisown
The membership flag
- value_
- vector_
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class EigenPair_double(builtins.object) |
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EigenPair_double(*args, **kwargs)
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Methods defined here:
- __init__(self, *args, **kwargs)
- Initialize self. See help(type(self)) for accurate signature.
- __repr__ = _swig_repr(self)
- value(self, *args, **kwargs) -> 'double'
- vector(self, *args, **kwargs) -> 'CDSList< double >'
Static methods defined here:
- __swig_destroy__ = delete_EigenPair_double(...)
Data descriptors defined here:
- __dict__
dictionary for instance variables (if defined)
- __weakref__
list of weak references to the object (if defined)
- thisown
The membership flag
- value_
- vector_
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