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- builtins.object
-
- Cos2RatioPot
- CosRatioPot
- EnsemblePot
-
- Cos2RatioPot_LetterClass
- CosRatioPot_LetterClass
- Modified
- ModifiedBase
- VarEnsWeights
- rc_EnsemblePot
class Cos2RatioPot_LetterClass(EnsemblePot) |
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Cos2RatioPot_LetterClass(*args, **kwargs)
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- Method resolution order:
- Cos2RatioPot_LetterClass
- EnsemblePot
- builtins.object
Methods defined here:
- __init__(self, *args, **kwargs)
- Initialize self. See help(type(self)) for accurate signature.
- __repr__ = _swig_repr(self)
- atom01(self, *args, **kwargs) -> 'Atom const'
- atom02(self, *args, **kwargs) -> 'Atom const'
- atom03(self, *args, **kwargs) -> 'Atom const'
- atom04(self, *args, **kwargs) -> 'Atom const'
- atoma1(self, *args, **kwargs) -> 'Atom const'
- atoma2(self, *args, **kwargs) -> 'Atom const'
- atoma3(self, *args, **kwargs) -> 'Atom const'
- atoma4(self, *args, **kwargs) -> 'Atom const'
- atomb1(self, *args, **kwargs) -> 'Atom const'
- atomb2(self, *args, **kwargs) -> 'Atom const'
- atomb3(self, *args, **kwargs) -> 'Atom const'
- atomb4(self, *args, **kwargs) -> 'Atom const'
- cos1(self, *args, **kwargs) -> 'float_type'
- cos2(self, *args, **kwargs) -> 'float_type'
- cos3(self, *args, **kwargs) -> 'float_type'
- cos4(self, *args, **kwargs) -> 'float_type'
- energyMaybeDerivs0(self, *args, **kwargs) -> 'float_type'
- energyMaybeDerivs1(self, *args, **kwargs) -> 'float_type'
- info(self, *args, **kwargs) -> 'String'
- numRestraints(self, *args, **kwargs) -> 'int'
- pyXplorHelp(self, *args, **kwargs) -> 'String'
- rms(self, *args, **kwargs) -> 'float_type'
- setAtom01(self, *args, **kwargs) -> 'void'
- setAtom02(self, *args, **kwargs) -> 'void'
- setAtom03(self, *args, **kwargs) -> 'void'
- setAtom04(self, *args, **kwargs) -> 'void'
- setAtoma1(self, *args, **kwargs) -> 'void'
- setAtoma2(self, *args, **kwargs) -> 'void'
- setAtoma3(self, *args, **kwargs) -> 'void'
- setAtoma4(self, *args, **kwargs) -> 'void'
- setAtomb1(self, *args, **kwargs) -> 'void'
- setAtomb2(self, *args, **kwargs) -> 'void'
- setAtomb3(self, *args, **kwargs) -> 'void'
- setAtomb4(self, *args, **kwargs) -> 'void'
- violations(self, *args, **kwargs) -> 'float_type'
Static methods defined here:
- __swig_destroy__ = delete_Cos2RatioPot_LetterClass(...)
Data descriptors defined here:
- thisown
The membership flag
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'
- 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'
Data descriptors inherited from EnsemblePot:
- __dict__
dictionary for instance variables (if defined)
- __weakref__
list of weak references to the object (if defined)
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class CosRatioPot_LetterClass(EnsemblePot) |
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CosRatioPot_LetterClass(*args, **kwargs)
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- Method resolution order:
- CosRatioPot_LetterClass
- EnsemblePot
- builtins.object
Methods defined here:
- __init__(self, *args, **kwargs)
- Initialize self. See help(type(self)) for accurate signature.
- __repr__ = _swig_repr(self)
- atom01(self, *args, **kwargs) -> 'Atom const'
- atom02(self, *args, **kwargs) -> 'Atom const'
- atoma1(self, *args, **kwargs) -> 'Atom const'
- atoma2(self, *args, **kwargs) -> 'Atom const'
- atomb1(self, *args, **kwargs) -> 'Atom const'
- atomb2(self, *args, **kwargs) -> 'Atom const'
- cos1(self, *args, **kwargs) -> 'float_type'
- cos2(self, *args, **kwargs) -> 'float_type'
- energyMaybeDerivs0(self, *args, **kwargs) -> 'float_type'
- energyMaybeDerivs1(self, *args, **kwargs) -> 'float_type'
- energyMaybeDerivs2(self, *args, **kwargs) -> 'float_type'
- info(self, *args, **kwargs) -> 'String'
- numRestraints(self, *args, **kwargs) -> 'int'
- pyXplorHelp(self, *args, **kwargs) -> 'String'
- ratio(self, *args, **kwargs) -> 'float_type const'
- rms(self, *args, **kwargs) -> 'float_type'
- setAtom01(self, *args, **kwargs) -> 'void'
- setAtom02(self, *args, **kwargs) -> 'void'
- setAtoma1(self, *args, **kwargs) -> 'void'
- setAtoma2(self, *args, **kwargs) -> 'void'
- setAtomb1(self, *args, **kwargs) -> 'void'
- setAtomb2(self, *args, **kwargs) -> 'void'
- setRatio(self, *args, **kwargs) -> 'void'
- setTargetType(self, *args, **kwargs) -> 'void'
- targetType(self, *args, **kwargs) -> 'CosRatioPot::CosRatioTargetType const'
- violations(self, *args, **kwargs) -> 'float_type'
Static methods defined here:
- __swig_destroy__ = delete_CosRatioPot_LetterClass(...)
Data descriptors defined here:
- thisown
The membership flag
Data and other attributes defined here:
- AVERAGE = 0
- FIXED = 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'
- simulation(self, *args) -> 'EnsembleSimulationBase const *'
- 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)
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class EnsemblePot(builtins.object) |
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EnsemblePot(*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)
- 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
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class Modified(builtins.object) |
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Modified(*args, **kwargs)
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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'
- assertClear(self, *args, **kwargs) -> 'void'
- 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
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class ModifiedBase(builtins.object) |
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ModifiedBase(*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)
- 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
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class VarEnsWeights(builtins.object) |
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VarEnsWeights(*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)
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
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class rc_EnsemblePot(builtins.object) |
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rc_EnsemblePot(*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)
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
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realCos2RatioPot = class Cos2RatioPot(builtins.object) |
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realCos2RatioPot(*args)
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Methods defined here:
- __deref__(self, *args, **kwargs) -> 'Cos2RatioPot *'
- __init__(self, *args)
- __oldinit__ = __init__(self, *args, **kwargs)
- __ref__(self, *args, **kwargs) -> 'Cos2RatioPot &'
- __repr__ = _swig_repr(self)
- addEnsWeights(self, *args, **kwargs) -> 'void'
- atom01(self, *args, **kwargs) -> 'Atom const'
- atom02(self, *args, **kwargs) -> 'Atom const'
- atom03(self, *args, **kwargs) -> 'Atom const'
- atom04(self, *args, **kwargs) -> 'Atom const'
- atoma1(self, *args, **kwargs) -> 'Atom const'
- atoma2(self, *args, **kwargs) -> 'Atom const'
- atoma3(self, *args, **kwargs) -> 'Atom const'
- atoma4(self, *args, **kwargs) -> 'Atom const'
- atomb1(self, *args, **kwargs) -> 'Atom const'
- atomb2(self, *args, **kwargs) -> 'Atom const'
- atomb3(self, *args, **kwargs) -> 'Atom const'
- atomb4(self, *args, **kwargs) -> 'Atom const'
- calcEnergy(self, *args, **kwargs) -> 'float_type'
- calcEnergyAndDerivs(self, *args, **kwargs) -> 'float_type'
- calcWDerivs(self, *args, **kwargs) -> 'bool const'
- clearEnsWeights(self, *args, **kwargs) -> 'void'
- cos1(self, *args, **kwargs) -> 'float_type'
- cos2(self, *args, **kwargs) -> 'float_type'
- cos3(self, *args, **kwargs) -> 'float_type'
- cos4(self, *args, **kwargs) -> 'float_type'
- 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'
- getEnsWeights(self, *args, **kwargs) -> 'CDSList< VarEnsWeights > &'
- incrRefCnt(self, *args, **kwargs) -> 'void'
- info(self, *args, **kwargs) -> 'String'
- instanceData(self, *args, **kwargs) -> 'PyObject *'
- instanceName(self, *args, **kwargs) -> 'char const *'
- numRestraints(self, *args, **kwargs) -> 'int'
- potName(self, *args, **kwargs) -> 'char const *'
- pyXplorHelp(self, *args, **kwargs) -> 'String'
- 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'
- rms(self, *args, **kwargs) -> 'float_type'
- scale(self, *args, **kwargs) -> 'float_type const'
- setAtom01(self, *args, **kwargs) -> 'void'
- setAtom02(self, *args, **kwargs) -> 'void'
- setAtom03(self, *args, **kwargs) -> 'void'
- setAtom04(self, *args, **kwargs) -> 'void'
- setAtoma1(self, *args, **kwargs) -> 'void'
- setAtoma2(self, *args, **kwargs) -> 'void'
- setAtoma3(self, *args, **kwargs) -> 'void'
- setAtoma4(self, *args, **kwargs) -> 'void'
- setAtomb1(self, *args, **kwargs) -> 'void'
- setAtomb2(self, *args, **kwargs) -> 'void'
- setAtomb3(self, *args, **kwargs) -> 'void'
- setAtomb4(self, *args, **kwargs) -> 'void'
- setCalcWDerivs(self, *args, **kwargs) -> 'void'
- setEnsWeights(self, *args, **kwargs) -> 'void'
- setScale(self, *args, **kwargs) -> 'void'
- setThreshold(self, *args, **kwargs) -> 'void'
- setUseSimEnsWeights(self, *args, **kwargs) -> 'void'
- simulation(self, *args) -> 'EnsembleSimulationBase const *'
- threshold(self, *args, **kwargs) -> 'float_type const'
- unRegister(self, *args, **kwargs) -> 'void'
- updateDelta(self, *args, **kwargs) -> 'void'
- updateEnsWeights(self, *args, **kwargs) -> 'void'
- updateValues(self, *args, **kwargs) -> 'void'
- useSimEnsWeights(self, *args, **kwargs) -> 'bool const'
- violations(self, *args, **kwargs) -> 'float_type'
Static methods defined here:
- __swig_destroy__ = delete_Cos2RatioPot(...)
Data descriptors defined here:
- __dict__
dictionary for instance variables (if defined)
- __weakref__
list of weak references to the object (if defined)
- instanceDataCleanup
- instanceDataCreate
- instanceData_
- modified
- registeredSimulations
- thisown
The membership flag
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realCosRatioPot = class CosRatioPot(builtins.object) |
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realCosRatioPot(*args)
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Methods defined here:
- __deref__(self, *args, **kwargs) -> 'CosRatioPot *'
- __init__(self, *args)
- __oldinit__ = __init__(self, *args, **kwargs)
- __ref__(self, *args, **kwargs) -> 'CosRatioPot &'
- __repr__ = _swig_repr(self)
- addEnsWeights(self, *args, **kwargs) -> 'void'
- atom01(self, *args, **kwargs) -> 'Atom const'
- atom02(self, *args, **kwargs) -> 'Atom const'
- atoma1(self, *args, **kwargs) -> 'Atom const'
- atoma2(self, *args, **kwargs) -> 'Atom const'
- atomb1(self, *args, **kwargs) -> 'Atom const'
- atomb2(self, *args, **kwargs) -> 'Atom const'
- calcEnergy(self, *args, **kwargs) -> 'float_type'
- calcEnergyAndDerivs(self, *args, **kwargs) -> 'float_type'
- calcWDerivs(self, *args, **kwargs) -> 'bool const'
- clearEnsWeights(self, *args, **kwargs) -> 'void'
- cos1(self, *args, **kwargs) -> 'float_type'
- cos2(self, *args, **kwargs) -> 'float_type'
- 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'
- getEnsWeights(self, *args, **kwargs) -> 'CDSList< VarEnsWeights > &'
- incrRefCnt(self, *args, **kwargs) -> 'void'
- info(self, *args, **kwargs) -> 'String'
- instanceData(self, *args, **kwargs) -> 'PyObject *'
- instanceName(self, *args, **kwargs) -> 'char const *'
- numRestraints(self, *args, **kwargs) -> 'int'
- potName(self, *args, **kwargs) -> 'char const *'
- pyXplorHelp(self, *args, **kwargs) -> 'String'
- ratio(self, *args, **kwargs) -> 'float_type const'
- 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'
- rms(self, *args, **kwargs) -> 'float_type'
- scale(self, *args, **kwargs) -> 'float_type const'
- setAtom01(self, *args, **kwargs) -> 'void'
- setAtom02(self, *args, **kwargs) -> 'void'
- setAtoma1(self, *args, **kwargs) -> 'void'
- setAtoma2(self, *args, **kwargs) -> 'void'
- setAtomb1(self, *args, **kwargs) -> 'void'
- setAtomb2(self, *args, **kwargs) -> 'void'
- setCalcWDerivs(self, *args, **kwargs) -> 'void'
- setEnsWeights(self, *args, **kwargs) -> 'void'
- setRatio(self, *args, **kwargs) -> 'void'
- setScale(self, *args, **kwargs) -> 'void'
- setTargetType(self, *args, **kwargs) -> 'void'
- setThreshold(self, *args, **kwargs) -> 'void'
- setUseSimEnsWeights(self, *args, **kwargs) -> 'void'
- simulation(self, *args) -> 'EnsembleSimulationBase const *'
- targetType(self, *args, **kwargs) -> 'CosRatioPot::CosRatioTargetType const'
- threshold(self, *args, **kwargs) -> 'float_type const'
- unRegister(self, *args, **kwargs) -> 'void'
- updateDelta(self, *args, **kwargs) -> 'void'
- updateEnsWeights(self, *args, **kwargs) -> 'void'
- updateValues(self, *args, **kwargs) -> 'void'
- useSimEnsWeights(self, *args, **kwargs) -> 'bool const'
- violations(self, *args, **kwargs) -> 'float_type'
Static methods defined here:
- __swig_destroy__ = delete_CosRatioPot(...)
Data descriptors defined here:
- __dict__
dictionary for instance variables (if defined)
- __weakref__
list of weak references to the object (if defined)
- instanceDataCleanup
- instanceDataCreate
- instanceData_
- modified
- registeredSimulations
- thisown
The membership flag
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