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- builtins.object
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- Modified
- ModifiedBase
- RDCWavePot
- RDCWavePot_LetterClass
- RDCWaveRestraint
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 RDCWavePot_LetterClass(builtins.object) |
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RDCWavePot_LetterClass(*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)
- addToRestraints(self, *args, **kwargs) -> 'void'
- atomO(self, *args, **kwargs) -> 'Atom'
- atomX(self, *args, **kwargs) -> 'Atom'
- atomY(self, *args, **kwargs) -> 'Atom'
- atomZ(self, *args, **kwargs) -> 'Atom'
- axesOK(self, *args, **kwargs) -> 'int'
- calcEnergy(self, *args, **kwargs) -> 'float_type'
- calcEnergyAndDerivs(self, *args, **kwargs) -> 'float_type'
- forceConst(self, *args, **kwargs) -> 'float_type'
- numRestraints(self, *args, **kwargs) -> 'int'
- pyXplorHelp(self, *args, **kwargs) -> 'String'
- restraints(self, *args, **kwargs) -> 'CDSList< RDCWaveRestraintPtr > &'
- rms(self, *args, **kwargs) -> 'float_type'
- setAlignmentTensorAtoms(self, *args, **kwargs) -> 'void'
- setForceConst(self, *args, **kwargs) -> 'void'
- violations(self, *args, **kwargs) -> 'float_type'
Static methods defined here:
- __swig_destroy__ = delete_RDCWavePot_LetterClass(...)
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 RDCWaveRestraint(builtins.object) |
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RDCWaveRestraint(*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)
- atomA(self, *args, **kwargs) -> 'Atom'
- atomB(self, *args, **kwargs) -> 'Atom'
- atomC(self, *args, **kwargs) -> 'Atom'
- atomD(self, *args, **kwargs) -> 'Atom'
- calcEnergy(self, *args, **kwargs) -> 'float_type'
- calcEnergyAndDerivs(self, *args, **kwargs) -> 'float_type'
- calcPhi(self, *args, **kwargs) -> 'float_type'
- calcTheta(self, *args, **kwargs) -> 'float_type'
- deltaPhi(self, *args, **kwargs) -> 'float_type'
- deltaTheta(self, *args, **kwargs) -> 'float_type'
- makeNormRestraint(self, *args, **kwargs) -> 'void'
- makeSimpleRestraint(self, *args, **kwargs) -> 'void'
- mode(self, *args, **kwargs) -> 'String const'
- name(self, *args, **kwargs) -> 'String const &'
- phiTarget(self, *args, **kwargs) -> 'float_type'
- phiWidth(self, *args, **kwargs) -> 'float_type'
- setAtomA(self, *args, **kwargs) -> 'void'
- setAtomB(self, *args, **kwargs) -> 'void'
- setAtomC(self, *args, **kwargs) -> 'void'
- setAtomD(self, *args, **kwargs) -> 'void'
- setPhiTarget(self, *args, **kwargs) -> 'void'
- setPhiWidth(self, *args, **kwargs) -> 'void'
- setThetaTarget(self, *args, **kwargs) -> 'void'
- setThetaWidth(self, *args, **kwargs) -> 'void'
- thetaTarget(self, *args, **kwargs) -> 'float_type'
- thetaWidth(self, *args, **kwargs) -> 'float_type'
Static methods defined here:
- __swig_destroy__ = delete_RDCWaveRestraint(...)
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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realRDCWavePot = class RDCWavePot(builtins.object) |
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realRDCWavePot(*args)
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Methods defined here:
- __deref__(self, *args, **kwargs) -> 'RDCWavePot *'
- __init__(self, *args)
- __oldinit__ = __init__(self, *args, **kwargs)
- __ref__(self, *args, **kwargs) -> 'RDCWavePot &'
- __repr__ = _swig_repr(self)
- addToRestraints(self, *args, **kwargs) -> 'void'
- atomO(self, *args, **kwargs) -> 'Atom'
- atomX(self, *args, **kwargs) -> 'Atom'
- atomY(self, *args, **kwargs) -> 'Atom'
- atomZ(self, *args, **kwargs) -> 'Atom'
- axesOK(self, *args, **kwargs) -> 'int'
- calcEnergy(self, *args, **kwargs) -> 'float_type'
- calcEnergyAndDerivs(self, *args, **kwargs) -> 'float_type'
- decrRefCnt(self, *args, **kwargs) -> 'void'
- forceConst(self, *args, **kwargs) -> 'float_type'
- incrRefCnt(self, *args, **kwargs) -> 'void'
- 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'
- restraints(self, *args, **kwargs) -> 'CDSList< RDCWaveRestraintPtr > &'
- rms(self, *args, **kwargs) -> 'float_type'
- scale(self, *args, **kwargs) -> 'float_type const'
- setAlignmentTensorAtoms(self, *args, **kwargs) -> 'void'
- setForceConst(self, *args, **kwargs) -> 'void'
- setScale(self, *args, **kwargs) -> 'void'
- setThreshold(self, *args, **kwargs) -> 'void'
- threshold(self, *args, **kwargs) -> 'float_type const'
- unRegister(self, *args, **kwargs) -> 'void'
- updateDelta(self, *args, **kwargs) -> 'void'
- updateValues(self, *args, **kwargs) -> 'void'
- violations(self, *args, **kwargs) -> 'float_type'
Static methods defined here:
- __swig_destroy__ = delete_RDCWavePot(...)
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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