| |
- builtins.object
-
- CDSList_DComplex
- CDSList_EigenPair_DComplex
- CDSList_EigenPair_double
- CDSList_FloatPair
- CDSList_Voxel
- CDSMatrix_complex
- CDSVector_CDSVector_Complex
- CDSVector_complex
- EigenPair_DComplex
- EigenPair_double
- EnsemblePot
-
- SolnScatPot_LetterClass
- InterpSphere_CDSVector_complex
- Modified
- ModifiedBase
- SolnScat
- SolnScatPot
- SolnScatRigid
- SolnScat_FracElec_SelIndex
- VarEnsWeights
- Voxel
- rc_EnsemblePot
class CDSList_DComplex(builtins.object) |
|
CDSList_DComplex(*args)
|
|
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
|
class CDSList_EigenPair_DComplex(builtins.object) |
|
CDSList_EigenPair_DComplex(*args)
|
|
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
|
class CDSList_EigenPair_double(builtins.object) |
|
CDSList_EigenPair_double(*args)
|
|
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
|
class CDSList_FloatPair(builtins.object) |
|
CDSList_FloatPair(*args)
|
|
Methods defined here:
- __delitem__(self, *args, **kwargs) -> 'void'
- __getitem__(self, *args) -> 'CDSList< Pair< double,double > >'
- __getslice__(self, *args, **kwargs) -> 'CDSList< Pair< double,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_FloatPair(...)
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
|
class CDSList_Voxel(builtins.object) |
|
CDSList_Voxel(*args)
|
|
Methods defined here:
- __delitem__(self, *args, **kwargs) -> 'void'
- __getitem__(self, *args) -> 'CDSList< Voxel >'
- __getslice__(self, *args, **kwargs) -> 'CDSList< Voxel >'
- __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_Voxel(...)
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
|
class CDSMatrix_complex(builtins.object) |
|
CDSMatrix_complex(*args)
|
|
Methods defined here:
- __add__(self, *args, **kwargs) -> 'CDSMatrix< CDS::Complex< double > >'
- __getitem__(self, *args, **kwargs) -> 'CDS::Complex< double >'
- __iadd__(self, *args, **kwargs) -> 'CDSMatrix< CDS::Complex< double > >'
- __init__(self, *args)
- Initialize self. See help(type(self)) for accurate signature.
- __mul__(self, *args) -> 'CDSMatrix< CDS::Complex< double > >'
- __neg__(self, *args, **kwargs) -> 'CDSMatrix< CDS::Complex< double > >'
- __repr__(self, *args, **kwargs) -> 'String'
- Return repr(self).
- __rmul__(self, *args, **kwargs) -> 'CDSMatrix< CDS::Complex< double > >'
- __setitem__(self, *args, **kwargs) -> 'void'
- __str__(self, *args, **kwargs) -> 'String'
- Return str(self).
- __sub__(self, *args, **kwargs) -> 'CDSMatrix< CDS::Complex< double > >'
- add(self, *args, **kwargs) -> 'void'
- cols(self, *args, **kwargs) -> 'int'
- fromList(s, l)
- get(self, *args, **kwargs) -> 'CDS::Complex< double >'
- rawData(self, *args, **kwargs) -> 'CDSVector< CDS::Complex< 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_complex(...)
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
|
class CDSVector_CDSVector_Complex(builtins.object) |
|
CDSVector_CDSVector_Complex(*args)
|
|
Methods defined here:
- __add__(self, *args) -> 'CDSVector< CDSVector< CDS::complex > >'
- __call__(self, *args) -> 'CDSVector< CDS::Complex< double >,0,CDS::DefaultAlloc,long,int > const &'
- Call self as a function.
- __getitem__(self, *args, **kwargs)
- __getslice__(self, *args, **kwargs) -> 'CDSVector< CDSVector< CDS::complex > >'
- __iadd__(self, *args) -> 'CDSVector< CDSVector< CDS::complex > >'
- __imul__(self, *args, **kwargs) -> 'CDSVector< CDSVector< CDS::complex > >'
- __init__(self, *args)
- Initialize self. See help(type(self)) for accurate signature.
- __isub__(self, *args) -> 'CDSVector< CDSVector< CDS::complex > >'
- __itruediv__(self, *args, **kwargs) -> 'CDSVector< CDSVector< CDS::complex > >'
- __len__(self, *args, **kwargs) -> 'long'
- __mul__(self, *args) -> 'CDSVector< CDSVector< CDS::complex > >'
- __neg__(self, *args, **kwargs) -> 'CDSVector< CDSVector< CDS::complex > >'
- __pow__(self, *args, **kwargs) -> 'CDSVector< CDSVector< CDS::complex > >'
- __radd__(self, *args, **kwargs) -> 'CDSVector< CDSVector< CDS::complex > >'
- __repr__ = _swig_repr(self)
- __rmul__(self, *args, **kwargs) -> 'CDSVector< CDSVector< CDS::complex > >'
- __rsub__(self, *args, **kwargs) -> 'CDSVector< CDSVector< CDS::complex > >'
- __rtruediv__(self, *args, **kwargs) -> 'CDSVector< CDSVector< CDS::complex > >'
- __setitem__(self, *args, **kwargs) -> 'void'
- __str__(self, *args, **kwargs) -> 'String'
- Return str(self).
- __sub__(self, *args) -> 'CDSVector< CDSVector< CDS::complex > >'
- __truediv__(self, *args) -> 'CDSVector< CDSVector< CDS::complex > >'
- append(self, *args, **kwargs) -> 'void'
- fromList(s, l)
- get(self, *args, **kwargs) -> 'CDSVector< CDS::Complex< double >,0,CDS::DefaultAlloc,long,int >'
- help(self, *args, **kwargs) -> 'String'
- offset(self, *args, **kwargs) -> 'int'
- scale(self, *args, **kwargs) -> 'void'
Static methods defined here:
- __swig_destroy__ = delete_CDSVector_CDSVector_Complex(...)
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
|
class CDSVector_complex(builtins.object) |
|
CDSVector_complex(*args)
|
|
Methods defined here:
- __add__(self, *args) -> 'CDSVector< CDS::complex >'
- __call__(self, *args) -> 'CDS::Complex< double > const &'
- Call self as a function.
- __getitem__(self, *args, **kwargs)
- __getslice__(self, *args, **kwargs) -> 'CDSVector< CDS::complex >'
- __iadd__(self, *args) -> 'CDSVector< CDS::complex >'
- __imul__(self, *args, **kwargs) -> 'CDSVector< CDS::complex >'
- __init__(self, *args)
- Initialize self. See help(type(self)) for accurate signature.
- __isub__(self, *args) -> 'CDSVector< CDS::complex >'
- __itruediv__(self, *args, **kwargs) -> 'CDSVector< CDS::complex >'
- __len__(self, *args, **kwargs) -> 'long'
- __mul__(self, *args) -> 'CDSVector< CDS::complex >'
- __neg__(self, *args, **kwargs) -> 'CDSVector< CDS::complex >'
- __pow__(self, *args, **kwargs) -> 'CDSVector< CDS::complex >'
- __radd__(self, *args, **kwargs) -> 'CDSVector< CDS::complex >'
- __repr__ = _swig_repr(self)
- __rmul__(self, *args, **kwargs) -> 'CDSVector< CDS::complex >'
- __rsub__(self, *args, **kwargs) -> 'CDSVector< CDS::complex >'
- __rtruediv__(self, *args, **kwargs) -> 'CDSVector< CDS::complex >'
- __setitem__(self, *args, **kwargs) -> 'void'
- __str__(self, *args, **kwargs) -> 'String'
- Return str(self).
- __sub__(self, *args) -> 'CDSVector< CDS::complex >'
- __truediv__(self, *args) -> 'CDSVector< CDS::complex >'
- append(self, *args, **kwargs) -> 'void'
- fromList(s, l)
- get(self, *args, **kwargs) -> 'CDS::Complex< double >'
- help(self, *args, **kwargs) -> 'String'
- offset(self, *args, **kwargs) -> 'int'
- scale(self, *args, **kwargs) -> 'void'
Static methods defined here:
- __swig_destroy__ = delete_CDSVector_complex(...)
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
|
class EigenPair_DComplex(builtins.object) |
|
EigenPair_DComplex(*args, **kwargs)
|
|
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_
|
class EigenPair_double(builtins.object) |
|
EigenPair_double(*args, **kwargs)
|
|
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_
|
class EnsemblePot(builtins.object) |
|
EnsemblePot(*args, **kwargs)
|
|
Methods defined here:
- __init__(self, *args, **kwargs)
- Initialize self. See help(type(self)) for accurate signature.
- __repr__ = _swig_repr(self)
- addEnsWeights(self, *args, **kwargs) -> 'void'
- calcEnergy(self, *args, **kwargs) -> 'float_type'
- calcEnergyAndDerivs(self, *args, **kwargs) -> 'float_type'
- calcWDerivs(self, *args, **kwargs) -> 'bool const'
- clearEnsWeights(self, *args, **kwargs) -> 'void'
- energyMaybeDerivs0(self, *args, **kwargs) -> 'float_type'
- energyMaybeDerivs1(self, *args, **kwargs) -> 'float_type'
- energyMaybeDerivs2(self, *args, **kwargs) -> 'float_type'
- energyMaybeDerivs3(self, *args, **kwargs) -> 'float_type'
- energyMaybeDerivs4(self, *args, **kwargs) -> 'float_type'
- energyMaybeDerivsPost(self, *args, **kwargs) -> 'float_type'
- energyMaybeDerivsPre(self, *args, **kwargs) -> 'float_type'
- ensWeight(self, *args, **kwargs) -> 'float_type'
- ensWeights(self, *args, **kwargs) -> 'CDSList< float_type >'
- ensWeightsInfo(self, *args, **kwargs) -> 'String'
- getEnsWeights(self, *args, **kwargs) -> 'CDSList< VarEnsWeights > &'
- setCalcWDerivs(self, *args, **kwargs) -> 'void'
- setEnsWeights(self, *args, **kwargs) -> 'void'
- setUseSimEnsWeights(self, *args, **kwargs) -> 'void'
- simulation(self, *args) -> 'EnsembleSimulationBase const *'
- updateEnsWeights(self, *args, **kwargs) -> 'void'
- useSimEnsWeights(self, *args, **kwargs) -> 'bool const'
Static methods defined here:
- __swig_destroy__ = delete_EnsemblePot(...)
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
|
class InterpSphere_CDSVector_complex(builtins.object) |
|
InterpSphere_CDSVector_complex(*args, **kwargs)
|
|
Methods defined here:
- __call__(self, *args, **kwargs) -> 'CDSVector< CDS::Complex< double >,0,CDS::DefaultAlloc,long,int >'
- Call self as a function.
- __init__(self, *args, **kwargs)
- Initialize self. See help(type(self)) for accurate signature.
- __repr__ = _swig_repr(self)
- derivs(self, *args, **kwargs) -> 'XplorNIH::InterpSphere< CDSVector< CDS::Complex< double > > >::GradType'
- valAndDerivs(self, *args, **kwargs) -> 'void'
Static methods defined here:
- __swig_destroy__ = delete_InterpSphere_CDSVector_complex(...)
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
|
class Modified(builtins.object) |
|
Modified(*args, **kwargs)
|
|
Methods defined here:
- __call__(self, *args, **kwargs) -> 'int'
- Call self as a function.
- __init__(self, *args, **kwargs)
- Initialize self. See help(type(self)) for accurate signature.
- __repr__ = _swig_repr(self)
- asString(self, *args, **kwargs) -> 'String'
- clear(self, *args, **kwargs) -> 'void'
- set(self, *args, **kwargs) -> 'void'
- update(self, *args, **kwargs) -> 'void'
- value(self, *args, **kwargs) -> 'int'
Static methods defined here:
- __swig_destroy__ = delete_Modified(...)
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
Data and other attributes defined here:
- MOD_SELF = 1
- MOD_SIMULATION = 2
|
class ModifiedBase(builtins.object) |
|
ModifiedBase(*args, **kwargs)
|
|
Methods defined here:
- __init__(self, *args, **kwargs)
- Initialize self. See help(type(self)) for accurate signature.
- __repr__ = _swig_repr(self)
- registerTo(self, *args, **kwargs) -> 'void'
- unRegister(self, *args, **kwargs) -> 'void'
- updateValues(self, *args, **kwargs) -> 'void'
Static methods defined here:
- __swig_destroy__ = delete_ModifiedBase(...)
Data descriptors defined here:
- __dict__
dictionary for instance variables (if defined)
- __weakref__
list of weak references to the object (if defined)
- modified
- registeredSimulations
- thisown
The membership flag
|
class SolnScat(builtins.object) |
|
SolnScat(*args, **kwargs)
|
|
Methods defined here:
- __init__(self, *args, **kwargs)
- Initialize self. See help(type(self)) for accurate signature.
- __repr__ = _swig_repr(self)
- addRigidRegion(self, *args, **kwargs) -> 'void'
- angleType(self, *args, **kwargs) -> 'SolnScat::SolnScatAngleType'
- aveRadius(self, *args, **kwargs) -> 'float_type'
- aveVolume(self, *args, **kwargs) -> 'float_type'
- boundaryI(self, *args, **kwargs) -> 'CDSVector< float_type >'
- boundaryThickness(self, *args, **kwargs) -> 'float_type const'
- boundaryVol(self, *args, **kwargs) -> 'float_type'
- calcBoundary(self, *args, **kwargs) -> 'bool const'
- calcBoundaryPoints(self, *args, **kwargs) -> 'void'
- calcDerivs(self, *args, **kwargs) -> 'CDSVector< Vec3 >'
- calcFGlob(self, *args, **kwargs) -> 'void'
- calcI(self, *args, **kwargs) -> 'CDSVector< float_type >'
- calcIFromPos(self, *args, **kwargs) -> 'CDSVector< float_type >'
- calcI_N(self, *args, **kwargs) -> 'CDSVector< float_type >'
- calcI_N2(self, *args, **kwargs) -> 'CDSVector< float_type >'
- calcI_multipole(self, *args, **kwargs) -> 'CDSVector< float_type >'
- calcI_uniform(self, *args, **kwargs) -> 'CDSVector< float_type >'
- calcPosGlob(self, *args, **kwargs) -> 'void'
- calcType(self, *args, **kwargs) -> 'SolnScat::SolnScatCalcType const'
- calc_g(self, *args, **kwargs) -> 'float_type'
- convertFormFactors(self, *args, **kwargs) -> 'void'
- formFactors(self, *args, **kwargs) -> 'CDSVector< SolnScat::FormFactorMap > const &'
- formScale(self, *args, **kwargs) -> 'float_type'
- freeSurfVoxels(self, *args, **kwargs) -> 'bool const'
- getF(self, *args, **kwargs) -> 'CDSMatrix< CDS::complex > const'
- globs(self, *args, **kwargs) -> 'CDSList< GlobDef > const &'
- iFormFactors(self, *args, **kwargs) -> 'CDSVector< SolnScat::FormFactorIMap > const &'
- innerBoundaryFilename(self, *args, **kwargs) -> 'String const'
- lMax(self, *args, **kwargs) -> 'int const'
- numAngles(self, *args, **kwargs) -> 'int'
- numRigidRegions(self, *args, **kwargs) -> 'int'
- outerBoundaryFilename(self, *args, **kwargs) -> 'String const'
- qValues(self, *args, **kwargs) -> 'CDSVector< float_type > const'
- radii(self, *args, **kwargs) -> 'CDSVector< float_type >'
- radiusScale(self, *args, **kwargs) -> 'float_type'
- radiusType(self, *args, **kwargs) -> 'SolnScat::SolnScatRadiusType'
- rho0(self, *args, **kwargs) -> 'float_type'
- rhob(self, *args, **kwargs) -> 'float_type const'
- rigidRegion(self, *args, **kwargs) -> 'SolnScatRigid const &'
- selection(self, *args, **kwargs) -> 'AtomSel'
- setAngleType(self, *args, **kwargs) -> 'void'
- setBoundaryThickness(self, *args, **kwargs) -> 'void'
- setCalcBoundary(self, *args, **kwargs) -> 'void'
- setCalcType(self, *args, **kwargs) -> 'void'
- setFormFactors(self, *args, **kwargs) -> 'void'
- setFormScale(self, *args, **kwargs) -> 'void'
- setFreeSurfVoxels(self, *args, **kwargs) -> 'void'
- setGlobs(self, *args, **kwargs) -> 'void'
- setIFormFactors(self, *args, **kwargs) -> 'void'
- setInnerBoundaryFilename(self, *args, **kwargs) -> 'void'
- setLMax(self, *args, **kwargs) -> 'void'
- setNumAngles(self, *args, **kwargs) -> 'void'
- setOuterBoundaryFilename(self, *args, **kwargs) -> 'void'
- setQValues(self, *args, **kwargs) -> 'void'
- setRadiusScale(self, *args, **kwargs) -> 'void'
- setRadiusType(self, *args, **kwargs) -> 'void'
- setRho0(self, *args, **kwargs) -> 'void'
- setRhob(self, *args, **kwargs) -> 'void'
- setSolventRadius(self, *args, **kwargs) -> 'void'
- setUseGlobs(self, *args, **kwargs) -> 'void'
- setVerbose(self, *args, **kwargs) -> 'void'
- setVolumeScale(self, *args, **kwargs) -> 'void'
- solventRadius(self, *args, **kwargs) -> 'float_type const'
- surfVoxels(self, *args, **kwargs) -> 'CDSList< Voxel >'
- useGlobs(self, *args, **kwargs) -> 'bool const'
- verbose(self, *args, **kwargs) -> 'int const'
- volumeScale(self, *args, **kwargs) -> 'float_type'
Static methods defined here:
- __swig_destroy__ = delete_SolnScat(...)
Data descriptors defined here:
- F
- QValues
- __dict__
dictionary for instance variables (if defined)
- __weakref__
list of weak references to the object (if defined)
- badVoxelFraction
- boundaryF
- boundaryI_
- boundaryPoints
- fGlob
- fValues
- posCenter
- posGlob
- rigidRegionModified
- rigidRegions
- surfVoxelsP
- surfaceAreaFraction
- thisown
The membership flag
Data and other attributes defined here:
- CALC_CURRENT = 4
- CALC_MULTIPOLE = 3
- CALC_N = 1
- CALC_N2 = 0
- CALC_NONE = 6
- CALC_REFERENCE = 5
- CALC_UNIFORM = 2
- RADIUS = 0
- VOLUME = 1
|
class SolnScatPot_LetterClass(EnsemblePot) |
|
SolnScatPot_LetterClass(*args, **kwargs)
|
|
- Method resolution order:
- SolnScatPot_LetterClass
- EnsemblePot
- builtins.object
Methods defined here:
- I_contrib(self, *args, **kwargs) -> 'CDSVector< float_type >'
- __init__(self, *args, **kwargs)
- Initialize self. See help(type(self)) for accurate signature.
- __repr__ = _swig_repr(self)
- addRigidRegion(self, *args, **kwargs) -> 'void'
- angleType(self, *args, **kwargs) -> 'XplorNIH::SpherePointType'
- aveRadius(self, *args, **kwargs) -> 'float_type'
- aveVolume(self, *args, **kwargs) -> 'float_type'
- bg(self, *args, **kwargs) -> 'float_type'
- boundaryI(self, *args, **kwargs) -> 'CDSVector< float_type >'
- boundaryThickness(self, *args, **kwargs) -> 'float_type'
- boundaryVol(self, *args, **kwargs) -> 'float_type'
- calcBoundary(self, *args, **kwargs) -> 'bool'
- calcBoundaryPoints(self, *args, **kwargs) -> 'void'
- calcDerivs(self, *args, **kwargs) -> 'CDSVector< Vec3 >'
- calcGlobCorrect_calcType(self, *args, **kwargs) -> 'void'
- calcGlobCorrect_vec(self, *args, **kwargs) -> 'void'
- calcType(self, *args, **kwargs) -> 'SolnScat::SolnScatCalcType'
- calcd(self, *args, **kwargs) -> 'CDSVector< float_type >'
- calcdScale(self, *args, **kwargs) -> 'float_type'
- cmpType(self, *args, **kwargs) -> 'SolnScatPot::SolnScatCmpType'
- convertFormFactors(self, *args, **kwargs) -> 'void'
- energyMaybeDerivs0(self, *args, **kwargs) -> 'float_type'
- energyMaybeDerivs1(self, *args, **kwargs) -> 'float_type'
- energyMaybeDerivs2(self, *args, **kwargs) -> 'float_type'
- expt(self, *args, **kwargs) -> 'CDSVector< float_type >'
- exptScale(self, *args, **kwargs) -> 'float_type'
- formFactors(self, *args, **kwargs) -> 'CDSVector< SolnScat::FormFactorMap > const &'
- formScale(self, *args, **kwargs) -> 'float_type'
- getF(self, *args, **kwargs) -> 'CDSMatrix< CDS::complex > const'
- globCorrectCalcType(self, *args, **kwargs) -> 'SolnScat::SolnScatCalcType'
- globCorrectMovement(self, *args, **kwargs) -> 'float_type const'
- globCorrectNeedsUpdating(self, *args, **kwargs) -> 'bool const'
- globCorrectReference(self, *args, **kwargs) -> 'rc_DerivedPot< SolnScatPot >'
- globCorrectSteps(self, *args, **kwargs) -> 'int const'
- iFormFactors(self, *args, **kwargs) -> 'CDSVector< SolnScat::FormFactorIMap > const &'
- info(self, *args, **kwargs) -> 'String'
- lMax(self, *args, **kwargs) -> 'int'
- normalizeIndex(self, *args, **kwargs) -> 'int'
- numAngles(self, *args, **kwargs) -> 'int'
- numRestraints(self, *args, **kwargs) -> 'int'
- pyXplorHelp(self, *args, **kwargs) -> 'String'
- qValues(self, *args, **kwargs) -> 'CDSVector< float_type > const &'
- qValuesExpt(self, *args, **kwargs) -> 'CDSVector< float_type > const &'
- radii(self, *args, **kwargs) -> 'CDSVector< float_type >'
- radiusScale(self, *args, **kwargs) -> 'float_type'
- radiusType(self, *args, **kwargs) -> 'SolnScat::SolnScatRadiusType'
- rho0(self, *args, **kwargs) -> 'float_type'
- rhob(self, *args, **kwargs) -> 'float_type'
- rms(self, *args, **kwargs) -> 'float_type'
- selection(self, *args, **kwargs) -> 'AtomSel'
- setAngleType(self, *args, **kwargs) -> 'void'
- setBG(self, *args, **kwargs) -> 'void'
- setBoundaryThickness(self, *args, **kwargs) -> 'void'
- setCalcBoundary(self, *args, **kwargs) -> 'void'
- setCalcType(self, *args, **kwargs) -> 'void'
- setCmpType(self, *args, **kwargs) -> 'void'
- setExpt(self, *args, **kwargs) -> 'void'
- setFormFactors(self, *args, **kwargs) -> 'void'
- setFormScale(self, *args, **kwargs) -> 'void'
- setGlobCorrectCalcType(self, *args, **kwargs) -> 'void'
- setGlobCorrectMovement(self, *args, **kwargs) -> 'void'
- setGlobCorrectNeedsUpdating(self, *args, **kwargs) -> 'void'
- setGlobCorrectReference(self, *args, **kwargs) -> 'void'
- setGlobCorrectSteps(self, *args, **kwargs) -> 'void'
- setGlobs(self, *args, **kwargs) -> 'void'
- setIFormFactors(self, *args, **kwargs) -> 'void'
- setLMax(self, *args, **kwargs) -> 'void'
- setNormalizeIndex(self, *args, **kwargs) -> 'void'
- setNumAngles(self, *args, **kwargs) -> 'void'
- setQValues(self, *args, **kwargs) -> 'void'
- setRadiusScale(self, *args, **kwargs) -> 'void'
- setRadiusType(self, *args, **kwargs) -> 'void'
- setRho0(self, *args, **kwargs) -> 'void'
- setRhob(self, *args, **kwargs) -> 'void'
- setSolventRadius(self, *args, **kwargs) -> 'void'
- setUseGlobs(self, *args, **kwargs) -> 'void'
- setVerbose(self, *args, **kwargs) -> 'void'
- setVolumeScale(self, *args, **kwargs) -> 'void'
- setWeights(self, *args, **kwargs) -> 'void'
- simulation(self, *args) -> 'EnsembleSimulationBase const *'
- solnScat(self, *args, **kwargs) -> 'SolnScat *'
- solventRadius(self, *args, **kwargs) -> 'float_type'
- splined(self, *args, **kwargs) -> 'CDSVector< float_type >'
- updateDelta(self, *args, **kwargs) -> 'void'
- updateGlobCorrect(self, *args, **kwargs) -> 'void'
- useGlobs(self, *args, **kwargs) -> 'bool'
- verbose(self, *args, **kwargs) -> 'int'
- violations(self, *args, **kwargs) -> 'float_type'
- volumeScale(self, *args, **kwargs) -> 'float_type'
- weights(self, *args, **kwargs) -> 'CDSVector< float_type >'
Static methods defined here:
- __swig_destroy__ = delete_SolnScatPot_LetterClass(...)
Data descriptors defined here:
- dIs_dI
- globCorrect
- globCorrectCalcType_
- thisown
The membership flag
Data and other attributes defined here:
- CMP_LOG = 0
- CMP_PLAIN = 1
Methods inherited from EnsemblePot:
- addEnsWeights(self, *args, **kwargs) -> 'void'
- calcEnergy(self, *args, **kwargs) -> 'float_type'
- calcEnergyAndDerivs(self, *args, **kwargs) -> 'float_type'
- calcWDerivs(self, *args, **kwargs) -> 'bool const'
- clearEnsWeights(self, *args, **kwargs) -> 'void'
- energyMaybeDerivs3(self, *args, **kwargs) -> 'float_type'
- energyMaybeDerivs4(self, *args, **kwargs) -> 'float_type'
- energyMaybeDerivsPost(self, *args, **kwargs) -> 'float_type'
- energyMaybeDerivsPre(self, *args, **kwargs) -> 'float_type'
- ensWeight(self, *args, **kwargs) -> 'float_type'
- ensWeights(self, *args, **kwargs) -> 'CDSList< float_type >'
- ensWeightsInfo(self, *args, **kwargs) -> 'String'
- getEnsWeights(self, *args, **kwargs) -> 'CDSList< VarEnsWeights > &'
- setCalcWDerivs(self, *args, **kwargs) -> 'void'
- setEnsWeights(self, *args, **kwargs) -> 'void'
- setUseSimEnsWeights(self, *args, **kwargs) -> 'void'
- updateEnsWeights(self, *args, **kwargs) -> 'void'
- useSimEnsWeights(self, *args, **kwargs) -> 'bool const'
Data descriptors inherited from EnsemblePot:
- __dict__
dictionary for instance variables (if defined)
- __weakref__
list of weak references to the object (if defined)
|
class SolnScatRigid(builtins.object) |
|
SolnScatRigid(*args)
|
|
Methods defined here:
- __init__(self, *args)
- Initialize self. See help(type(self)) for accurate signature.
- __repr__ = _swig_repr(self)
- calcFContrib(self, *args, **kwargs) -> 'void'
- calcFatQ(self, *args, **kwargs) -> 'complex'
- derivContrib(self, *args, **kwargs) -> 'void'
- update(self, *args, **kwargs) -> 'void'
Static methods defined here:
- __swig_destroy__ = delete_SolnScatRigid(...)
Data descriptors defined here:
- F
- __dict__
dictionary for instance variables (if defined)
- __weakref__
list of weak references to the object (if defined)
- fitter
- relAtomIndices
- relGlobIndices
- sphereInterp
- thisown
The membership flag
|
class SolnScat_FracElec_SelIndex(builtins.object) |
|
SolnScat_FracElec_SelIndex(*args, **kwargs)
|
|
Methods defined here:
- __init__(self, *args, **kwargs)
- Initialize self. See help(type(self)) for accurate signature.
- __repr__ = _swig_repr(self)
Static methods defined here:
- __swig_destroy__ = delete_SolnScat_FracElec_SelIndex(...)
Data descriptors defined here:
- __dict__
dictionary for instance variables (if defined)
- __weakref__
list of weak references to the object (if defined)
- fracElec
- selIndex
- thisown
The membership flag
|
class VarEnsWeights(builtins.object) |
|
VarEnsWeights(*args, **kwargs)
|
|
Methods defined here:
- __init__(self, *args, **kwargs)
- Initialize self. See help(type(self)) for accurate signature.
- __repr__ = _swig_repr(self)
Static methods defined here:
- __swig_destroy__ = delete_VarEnsWeights(...)
Data descriptors defined here:
- __dict__
dictionary for instance variables (if defined)
- __weakref__
list of weak references to the object (if defined)
- ensWeights
- mult
- thisown
The membership flag
|
class Voxel(builtins.object) |
|
Voxel(*args, **kwargs)
|
|
Methods defined here:
- __init__(self, *args, **kwargs)
- Initialize self. See help(type(self)) for accurate signature.
- __repr__ = _swig_repr(self)
Static methods defined here:
- __swig_destroy__ = delete_Voxel(...)
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
- v1
- v1i
- v2
- v2i
- v3
- v3i
- vol
|
class rc_EnsemblePot(builtins.object) |
|
rc_EnsemblePot(*args, **kwargs)
|
|
Methods defined here:
- __init__(self, *args, **kwargs)
- Initialize self. See help(type(self)) for accurate signature.
- __repr__ = _swig_repr(self)
Static methods defined here:
- __swig_destroy__ = delete_rc_EnsemblePot(...)
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
|
realSolnScatPot = class SolnScatPot(builtins.object) |
|
realSolnScatPot(*args)
|
|
Methods defined here:
- I_contrib(self, *args, **kwargs) -> 'CDSVector< float_type >'
- __deref__(self, *args, **kwargs) -> 'SolnScatPot *'
- __init__(self, *args)
- __oldinit__ = __init__(self, *args, **kwargs)
- __ref__(self, *args, **kwargs) -> 'SolnScatPot &'
- __repr__ = _swig_repr(self)
- addEnsWeights(self, *args, **kwargs) -> 'void'
- addRigidRegion(self, *args, **kwargs) -> 'void'
- angleType(self, *args, **kwargs) -> 'XplorNIH::SpherePointType'
- aveRadius(self, *args, **kwargs) -> 'float_type'
- aveVolume(self, *args, **kwargs) -> 'float_type'
- bg(self, *args, **kwargs) -> 'float_type'
- boundaryI(self, *args, **kwargs) -> 'CDSVector< float_type >'
- boundaryThickness(self, *args, **kwargs) -> 'float_type'
- boundaryVol(self, *args, **kwargs) -> 'float_type'
- calcBoundary(self, *args, **kwargs) -> 'bool'
- calcBoundaryPoints(self, *args, **kwargs) -> 'void'
- calcDerivs(self, *args, **kwargs) -> 'CDSVector< Vec3 >'
- calcEnergy(self, *args, **kwargs) -> 'float_type'
- calcEnergyAndDerivs(self, *args, **kwargs) -> 'float_type'
- calcGlobCorrect(s, arg='current')
- swig can't handle the enumtypemap with this overridden method:
we must do it manually
- calcGlobCorrect_calcType(self, *args, **kwargs) -> 'void'
- calcGlobCorrect_vec(self, *args, **kwargs) -> 'void'
- calcType(self, *args, **kwargs) -> 'SolnScat::SolnScatCalcType'
- calcWDerivs(self, *args, **kwargs) -> 'bool const'
- calcd(self, *args, **kwargs) -> 'CDSVector< float_type >'
- calcdScale(self, *args, **kwargs) -> 'float_type'
- clearEnsWeights(self, *args, **kwargs) -> 'void'
- cmpType(self, *args, **kwargs) -> 'SolnScatPot::SolnScatCmpType'
- convertFormFactors(self, *args, **kwargs) -> 'void'
- decrRefCnt(self, *args, **kwargs) -> 'void'
- energyMaybeDerivs0(self, *args, **kwargs) -> 'float_type'
- energyMaybeDerivs1(self, *args, **kwargs) -> 'float_type'
- energyMaybeDerivs2(self, *args, **kwargs) -> 'float_type'
- energyMaybeDerivs3(self, *args, **kwargs) -> 'float_type'
- energyMaybeDerivs4(self, *args, **kwargs) -> 'float_type'
- energyMaybeDerivsPost(self, *args, **kwargs) -> 'float_type'
- energyMaybeDerivsPre(self, *args, **kwargs) -> 'float_type'
- ensWeight(self, *args, **kwargs) -> 'float_type'
- ensWeights(self, *args, **kwargs) -> 'CDSList< float_type >'
- ensWeightsInfo(self, *args, **kwargs) -> 'String'
- expt(self, *args, **kwargs) -> 'CDSVector< float_type >'
- exptScale(self, *args, **kwargs) -> 'float_type'
- formFactors(self, *args, **kwargs) -> 'CDSVector< SolnScat::FormFactorMap > const &'
- formScale(self, *args, **kwargs) -> 'float_type'
- getEnsWeights(self, *args, **kwargs) -> 'CDSList< VarEnsWeights > &'
- getF(self, *args, **kwargs) -> 'CDSMatrix< CDS::complex > const'
- get_weights(self, *args, **kwargs) -> 'CDSVector< float_type >'
- globCorrectCalcType(self, *args, **kwargs) -> 'SolnScat::SolnScatCalcType'
- globCorrectMovement(self, *args, **kwargs) -> 'float_type const'
- globCorrectNeedsUpdating(self, *args, **kwargs) -> 'bool const'
- globCorrectReference(self, *args, **kwargs) -> 'rc_DerivedPot< SolnScatPot >'
- globCorrectSteps(self, *args, **kwargs) -> 'int const'
- iFormFactors(self, *args, **kwargs) -> 'CDSVector< SolnScat::FormFactorIMap > const &'
- incrRefCnt(self, *args, **kwargs) -> 'void'
- info(self, *args, **kwargs) -> 'String'
- instanceData(self, *args, **kwargs) -> 'PyObject *'
- instanceName(self, *args, **kwargs) -> 'char const *'
- lMax(self, *args, **kwargs) -> 'int'
- normalizeIndex(self, *args, **kwargs) -> 'int'
- numAngles(self, *args, **kwargs) -> 'int'
- numRestraints(self, *args, **kwargs) -> 'int'
- potName(self, *args, **kwargs) -> 'char const *'
- pyXplorHelp(self, *args, **kwargs) -> 'String'
- qValues(self, *args, **kwargs) -> 'CDSVector< float_type > const &'
- qValuesExpt(self, *args, **kwargs) -> 'CDSVector< float_type > const &'
- radii(self, *args, **kwargs) -> 'CDSVector< float_type >'
- radiusScale(self, *args, **kwargs) -> 'float_type'
- radiusType(self, *args, **kwargs) -> 'SolnScat::SolnScatRadiusType'
- refCnt(self, *args, **kwargs) -> 'int'
- registerInstanceData(self, *args, **kwargs) -> 'void'
- registerTo(self, *args, **kwargs) -> 'void'
- resetInstanceName(self, *args, **kwargs) -> 'void'
- resetPotName(self, *args, **kwargs) -> 'void'
- rho0(self, *args, **kwargs) -> 'float_type'
- rhob(self, *args, **kwargs) -> 'float_type'
- rms(self, *args, **kwargs) -> 'float_type'
- scale(self, *args, **kwargs) -> 'float_type const'
- selection(self, *args, **kwargs) -> 'AtomSel'
- setAngleType(self, *args, **kwargs) -> 'void'
- setBG(self, *args, **kwargs) -> 'void'
- setBoundaryThickness(self, *args, **kwargs) -> 'void'
- setCalcBoundary(self, *args, **kwargs) -> 'void'
- setCalcType(self, *args, **kwargs) -> 'void'
- setCalcWDerivs(self, *args, **kwargs) -> 'void'
- setCmpType(self, *args, **kwargs) -> 'void'
- setEnsWeights(self, *args, **kwargs) -> 'void'
- setExpt(self, *args, **kwargs) -> 'void'
- setFormFactors(self, *args, **kwargs) -> 'void'
- setFormScale(self, *args, **kwargs) -> 'void'
- setGlobCorrectCalcType(self, *args, **kwargs) -> 'void'
- setGlobCorrectMovement(self, *args, **kwargs) -> 'void'
- setGlobCorrectNeedsUpdating(self, *args, **kwargs) -> 'void'
- setGlobCorrectReference(self, *args, **kwargs) -> 'void'
- setGlobCorrectSteps(self, *args, **kwargs) -> 'void'
- setGlobs(self, *args, **kwargs) -> 'void'
- setIFormFactors(self, *args, **kwargs) -> 'void'
- setLMax(self, *args, **kwargs) -> 'void'
- setNormalizeIndex(self, *args, **kwargs) -> 'void'
- setNumAngles(self, *args, **kwargs) -> 'void'
- setQValues(self, *args, **kwargs) -> 'void'
- setRadiusScale(self, *args, **kwargs) -> 'void'
- setRadiusType(self, *args, **kwargs) -> 'void'
- setRho0(self, *args, **kwargs) -> 'void'
- setRhob(self, *args, **kwargs) -> 'void'
- setScale(self, *args, **kwargs) -> 'void'
- setSolventRadius(self, *args, **kwargs) -> 'void'
- setThreshold(self, *args, **kwargs) -> 'void'
- setUseGlobs(self, *args, **kwargs) -> 'void'
- setUseSimEnsWeights(self, *args, **kwargs) -> 'void'
- setVerbose(self, *args, **kwargs) -> 'void'
- setVolumeScale(self, *args, **kwargs) -> 'void'
- setWeights(self, *args, **kwargs) -> 'void'
- set_weights(self, *args, **kwargs) -> 'void'
- simulation(self, *args) -> 'EnsembleSimulationBase const *'
- solnScat(self, *args, **kwargs) -> 'SolnScat *'
- solventRadius(self, *args, **kwargs) -> 'float_type'
- splined(self, *args, **kwargs) -> 'CDSVector< float_type >'
- threshold(self, *args, **kwargs) -> 'float_type const'
- unRegister(self, *args, **kwargs) -> 'void'
- updateDelta(self, *args, **kwargs) -> 'void'
- updateEnsWeights(self, *args, **kwargs) -> 'void'
- updateGlobCorrect(self, *args, **kwargs) -> 'void'
- updateValues(self, *args, **kwargs) -> 'void'
- useGlobs(self, *args, **kwargs) -> 'bool'
- useSimEnsWeights(self, *args, **kwargs) -> 'bool const'
- verbose(self, *args, **kwargs) -> 'int'
- violations(self, *args, **kwargs) -> 'float_type'
- volumeScale(self, *args, **kwargs) -> 'float_type'
- weights(self, *args, **kwargs) -> 'CDSVector< float_type >'
Static methods defined here:
- __swig_destroy__ = delete_SolnScatPot(...)
Data descriptors defined here:
- __dict__
dictionary for instance variables (if defined)
- __weakref__
list of weak references to the object (if defined)
- dIs_dI
- globCorrect
- globCorrectCalcType_
- instanceDataCleanup
- instanceDataCreate
- instanceData_
- modified
- registeredSimulations
- thisown
The membership flag
| |