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- builtins.object
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- CDSList_TagPair_Restraint
- Modified
- ModifiedBase
- Restraint_TagPairPot
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- TagPair_Restraint
- TagPairPot
- TagPairPot_LetterClass
- rc_ptr_TagPair_Restraint
class CDSList_TagPair_Restraint(builtins.object) |
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CDSList_TagPair_Restraint(*args)
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Methods defined here:
- __delitem__(self, *args, **kwargs) -> 'void'
- __getitem__(self, *args) -> 'CDSList< CDS::rc_ptr< TagPair_Restraint > >'
- __getslice__(self, *args, **kwargs) -> 'CDSList< CDS::rc_ptr< TagPair_Restraint > >'
- __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_TagPair_Restraint(...)
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 Restraint_TagPairPot(builtins.object) |
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Restraint_TagPairPot(*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)
- diff(self, *args, **kwargs) -> 'float_type'
- name(self, *args, **kwargs) -> 'String const'
- setName(self, *args, **kwargs) -> 'void'
- violated(self, *args, **kwargs) -> 'bool'
Static methods defined here:
- __swig_destroy__ = delete_Restraint_TagPairPot(...)
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 TagPairPot_LetterClass(builtins.object) |
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TagPairPot_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)
- aWeights1(self, *args, **kwargs) -> 'AWeights *'
- aWeights2(self, *args, **kwargs) -> 'AWeights *'
- addRestraint(self, *args, **kwargs) -> 'void'
- calcEnergy(self, *args, **kwargs) -> 'float_type'
- calcEnergyAndDerivs(self, *args, **kwargs) -> 'float_type'
- calcWeightDerivs(self, *args, **kwargs) -> 'float_type'
- clearRestraints(self, *args, **kwargs) -> 'void'
- nonTagSelection(self, *args, **kwargs) -> 'AtomSel const &'
- numRestraints(self, *args, **kwargs) -> 'int'
- pyXplorHelp(self, *args, **kwargs) -> 'String'
- removeTagAtoms1(self, *args, **kwargs) -> 'void'
- removeTagAtoms2(self, *args, **kwargs) -> 'void'
- restraints(self, *args, **kwargs) -> 'CDSList< CDS::rc_ptr< TagPair_Restraint > > &'
- rms(self, *args, **kwargs) -> 'float_type'
- setAWeights1(self, *args, **kwargs) -> 'void'
- setAWeights2(self, *args, **kwargs) -> 'void'
- setTargetType(self, *args, **kwargs) -> 'void'
- setVerbose(self, *args, **kwargs) -> 'void'
- simulation(self, *args, **kwargs) -> 'Simulation const *'
- tagEnv(self, *args, **kwargs) -> 'TagEnvironment &'
- targetType(self, *args, **kwargs) -> 'TagPairPot::TagPairTargetType const'
- verbose(self, *args, **kwargs) -> 'bool const'
- violations(self, *args, **kwargs) -> 'float_type'
Static methods defined here:
- __swig_destroy__ = delete_TagPairPot_LetterClass(...)
Data descriptors defined here:
- __dict__
dictionary for instance variables (if defined)
- __weakref__
list of weak references to the object (if defined)
- d_dw1
- d_dw2
- thisown
The membership flag
Data and other attributes defined here:
- CORRELATION = 0
- DIFFERENCE = 1
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class TagPair_Restraint(Restraint_TagPairPot) |
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TagPair_Restraint(*args)
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- Method resolution order:
- TagPair_Restraint
- Restraint_TagPairPot
- builtins.object
Methods defined here:
- Pr(self, *args, **kwargs) -> 'CDSVector< float_type >'
- PrObs(self, *args, **kwargs) -> 'CDSVector< float_type >'
- __init__(self, *args)
- Initialize self. See help(type(self)) for accurate signature.
- __repr__ = _swig_repr(self)
- calcWeightDerivs(self, *args, **kwargs) -> 'float_type'
- correlation(self, *args, **kwargs) -> 'float_type'
- energy(self, *args, **kwargs) -> 'float_type'
- energyAndDerivs(self, *args, **kwargs) -> 'float_type'
- iWeights1(self, *args, **kwargs) -> 'CDSVector< float_type >'
- iWeights2(self, *args, **kwargs) -> 'CDSVector< float_type >'
- pairDist(self, *args, **kwargs) -> 'PairDist &'
- rVals(self, *args, **kwargs) -> 'CDSVector< float_type > const &'
- scale(self, *args, **kwargs) -> 'float_type const'
- setIWeights1(self, *args, **kwargs) -> 'void'
- setIWeights2(self, *args, **kwargs) -> 'void'
- setScale(self, *args, **kwargs) -> 'void'
- tagPairDist(self, *args, **kwargs) -> 'TagPairDist &'
- updateDistanceWeights(self, *args, **kwargs) -> 'void'
Static methods defined here:
- __swig_destroy__ = delete_TagPair_Restraint(...)
Data descriptors defined here:
- PrObs_
- ave_Pr
- ave_PrObs
- comment
- d_dw1
- d_dw2
- denom
- num
- sum_PrObs2
- thisown
The membership flag
Methods inherited from Restraint_TagPairPot:
- diff(self, *args, **kwargs) -> 'float_type'
- name(self, *args, **kwargs) -> 'String const'
- setName(self, *args, **kwargs) -> 'void'
- violated(self, *args, **kwargs) -> 'bool'
Data descriptors inherited from Restraint_TagPairPot:
- __dict__
dictionary for instance variables (if defined)
- __weakref__
list of weak references to the object (if defined)
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class rc_ptr_TagPair_Restraint(builtins.object) |
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rc_ptr_TagPair_Restraint(*args)
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Methods defined here:
- Pr(self, *args, **kwargs) -> 'CDSVector< float_type >'
- PrObs(self, *args, **kwargs) -> 'CDSVector< float_type >'
- __deref__(self, *args, **kwargs) -> 'TagPair_Restraint *'
- __init__(self, *args)
- Initialize self. See help(type(self)) for accurate signature.
- __ref__(self, *args, **kwargs) -> 'TagPair_Restraint &'
- __repr__ = _swig_repr(self)
- calcWeightDerivs(self, *args, **kwargs) -> 'float_type'
- correlation(self, *args, **kwargs) -> 'float_type'
- count(self, *args, **kwargs) -> 'int'
- decr(self, *args, **kwargs) -> 'void'
- diff(self, *args, **kwargs) -> 'float_type'
- energy(self, *args, **kwargs) -> 'float_type'
- energyAndDerivs(self, *args, **kwargs) -> 'float_type'
- forceDelete(self, *args, **kwargs) -> 'void'
- iWeights1(self, *args, **kwargs) -> 'CDSVector< float_type >'
- iWeights2(self, *args, **kwargs) -> 'CDSVector< float_type >'
- incr(self, *args, **kwargs) -> 'void'
- name(self, *args, **kwargs) -> 'String const'
- pairDist(self, *args, **kwargs) -> 'PairDist &'
- ptr(self, *args, **kwargs) -> 'TagPair_Restraint *'
- rVals(self, *args, **kwargs) -> 'CDSVector< float_type > const &'
- release(self, *args, **kwargs) -> 'TagPair_Restraint *'
- reset(self, *args, **kwargs) -> 'void'
- scale(self, *args, **kwargs) -> 'float_type const'
- setIWeights1(self, *args, **kwargs) -> 'void'
- setIWeights2(self, *args, **kwargs) -> 'void'
- setName(self, *args, **kwargs) -> 'void'
- setScale(self, *args, **kwargs) -> 'void'
- tagPairDist(self, *args, **kwargs) -> 'TagPairDist &'
- updateDistanceWeights(self, *args, **kwargs) -> 'void'
- violated(self, *args, **kwargs) -> 'bool'
Static methods defined here:
- __swig_destroy__ = delete_rc_ptr_TagPair_Restraint(...)
Data descriptors defined here:
- PrObs_
- __dict__
dictionary for instance variables (if defined)
- __weakref__
list of weak references to the object (if defined)
- ave_Pr
- ave_PrObs
- comment
- d_dw1
- d_dw2
- denom
- num
- sum_PrObs2
- thisown
The membership flag
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realTagPairPot = class TagPairPot(builtins.object) |
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realTagPairPot(*args)
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Methods defined here:
- __deref__(self, *args, **kwargs) -> 'TagPairPot *'
- __init__(self, *args)
- __oldinit__ = __init__(self, *args, **kwargs)
- __ref__(self, *args, **kwargs) -> 'TagPairPot &'
- __repr__ = _swig_repr(self)
- aWeights1(self, *args, **kwargs) -> 'AWeights *'
- aWeights2(self, *args, **kwargs) -> 'AWeights *'
- addRestraint(self, *args, **kwargs) -> 'void'
- calcEnergy(self, *args, **kwargs) -> 'float_type'
- calcEnergyAndDerivs(self, *args, **kwargs) -> 'float_type'
- calcWeightDerivs(self, *args, **kwargs) -> 'float_type'
- clearRestraints(self, *args, **kwargs) -> 'void'
- decrRefCnt(self, *args, **kwargs) -> 'void'
- incrRefCnt(self, *args, **kwargs) -> 'void'
- instanceData(self, *args, **kwargs) -> 'PyObject *'
- instanceName(self, *args, **kwargs) -> 'char const *'
- nonTagSelection(self, *args, **kwargs) -> 'AtomSel 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'
- removeTagAtoms1(self, *args, **kwargs) -> 'void'
- removeTagAtoms2(self, *args, **kwargs) -> 'void'
- resetInstanceName(self, *args, **kwargs) -> 'void'
- resetPotName(self, *args, **kwargs) -> 'void'
- restraints(self, *args, **kwargs) -> 'CDSList< CDS::rc_ptr< TagPair_Restraint > > &'
- rms(self, *args, **kwargs) -> 'float_type'
- scale(self, *args, **kwargs) -> 'float_type const'
- setAWeights1(self, *args, **kwargs) -> 'void'
- setAWeights2(self, *args, **kwargs) -> 'void'
- setScale(self, *args, **kwargs) -> 'void'
- setTargetType(self, *args, **kwargs) -> 'void'
- setThreshold(self, *args, **kwargs) -> 'void'
- setVerbose(self, *args, **kwargs) -> 'void'
- simulation(self, *args, **kwargs) -> 'Simulation const *'
- tagEnv(self, *args, **kwargs) -> 'TagEnvironment &'
- targetType(self, *args, **kwargs) -> 'TagPairPot::TagPairTargetType const'
- threshold(self, *args, **kwargs) -> 'float_type const'
- unRegister(self, *args, **kwargs) -> 'void'
- updateDelta(self, *args, **kwargs) -> 'void'
- updateValues(self, *args, **kwargs) -> 'void'
- verbose(self, *args, **kwargs) -> 'bool const'
- violations(self, *args, **kwargs) -> 'float_type'
Static methods defined here:
- __swig_destroy__ = delete_TagPairPot(...)
Data descriptors defined here:
- __dict__
dictionary for instance variables (if defined)
- __weakref__
list of weak references to the object (if defined)
- d_dw1
- d_dw2
- instanceDataCleanup
- instanceDataCreate
- instanceData_
- modified
- registeredSimulations
- thisown
The membership flag
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