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- builtins.object
-
- CDSList_CDSList_int
- CDSList_DA
- CDSList_DAClass
- CDSList_Pair_int_int
- HBBasePot_RacerHBKernel
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- RacerHBPot_LetterClass
- HBBase_DAClass
- Modified
- ModifiedBase
- Pair_int_int
- RacerHBKernel
- RacerHBPot
- RacerHBPot_DA
- RacerHBPot_Geom
class CDSList_CDSList_int(builtins.object) |
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CDSList_CDSList_int(*args)
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Methods defined here:
- __delitem__(self, *args, **kwargs) -> 'void'
- __getitem__(self, *args) -> 'CDSList< CDSList< int > >'
- __getslice__(self, *args, **kwargs) -> 'CDSList< CDSList< int > >'
- __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_CDSList_int(...)
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_DA(builtins.object) |
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CDSList_DA(*args)
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Methods defined here:
- __delitem__(self, *args, **kwargs) -> 'void'
- __getitem__(self, *args) -> 'CDSList< RacerHBPot_DA >'
- __getslice__(self, *args, **kwargs) -> 'CDSList< RacerHBPot_DA >'
- __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_DA(...)
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_DAClass(builtins.object) |
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CDSList_DAClass(*args)
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Methods defined here:
- __delitem__(self, *args, **kwargs) -> 'void'
- __getitem__(self, *args) -> 'CDSList< HBBase_DAClass >'
- __getslice__(self, *args, **kwargs) -> 'CDSList< HBBase_DAClass >'
- __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_DAClass(...)
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_Pair_int_int(builtins.object) |
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CDSList_Pair_int_int(*args)
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Methods defined here:
- __delitem__(self, *args, **kwargs) -> 'void'
- __getitem__(self, *args) -> 'CDSList< Pair< int,int > >'
- __getslice__(self, *args, **kwargs) -> 'CDSList< Pair< int,int > >'
- __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_Pair_int_int(...)
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 HBBasePot_RacerHBKernel(builtins.object) |
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HBBasePot_RacerHBKernel(*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)
- acceptors(self, *args, **kwargs) -> 'CDSList< HBBasePot< RacerHBKernel >::DAType > const &'
- calcEnergy(self, *args, **kwargs) -> 'float_type'
- calcEnergyAndDerivs(self, *args, **kwargs) -> 'float_type'
- donors(self, *args, **kwargs) -> 'CDSList< HBBasePot< RacerHBKernel >::DAType > const &'
- findAcceptorsDonors(self, *args, **kwargs) -> 'void'
- hbonds(self, *args, **kwargs) -> 'CDSList< Pair< int,int > > const &'
- moveTol(self, *args, **kwargs) -> 'float_type const'
- numRestraints(self, *args, **kwargs) -> 'int'
- rMax(self, *args, **kwargs) -> 'float_type const'
- rOn(self, *args, **kwargs) -> 'float_type const'
- residCutoff(self, *args, **kwargs) -> 'int const'
- rms(self, *args, **kwargs) -> 'float_type'
- selection(self, *args, **kwargs) -> 'AtomSel'
- setMoveTol(self, *args, **kwargs) -> 'void'
- setRMax(self, *args, **kwargs) -> 'void'
- setROn(self, *args, **kwargs) -> 'void'
- setResidCutoff(self, *args, **kwargs) -> 'void'
- setVerbose(self, *args, **kwargs) -> 'void'
- verbose(self, *args, **kwargs) -> 'bool const'
- violations(self, *args, **kwargs) -> 'float_type'
Static methods defined here:
- __swig_destroy__ = delete_HBBasePot_RacerHBKernel(...)
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 HBBase_DAClass(builtins.object) |
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HBBase_DAClass(*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_HBBase_DAClass(...)
Data descriptors defined here:
- __dict__
dictionary for instance variables (if defined)
- __weakref__
list of weak references to the object (if defined)
- nextSel
- num
- sel
- thisown
The membership flag
- typeStr
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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'
- 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 Pair_int_int(builtins.object) |
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Pair_int_int(*args)
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Methods defined here:
- __eq__(self, *args, **kwargs) -> 'bool'
- Return self==value.
- __init__(self, *args)
- Initialize self. See help(type(self)) for accurate signature.
- __repr__ = _swig_repr(self)
Static methods defined here:
- __swig_destroy__ = delete_Pair_int_int(...)
Data descriptors defined here:
- __dict__
dictionary for instance variables (if defined)
- __weakref__
list of weak references to the object (if defined)
- a
- b
- thisown
The membership flag
Data and other attributes defined here:
- __hash__ = None
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class RacerHBKernel(builtins.object) |
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RacerHBKernel(*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)
- construct(self, *args, **kwargs) -> 'void'
- energyMaybeDeriv(self, *args, **kwargs) -> 'float_type'
- getGeom(self, *args, **kwargs) -> 'RacerHBPot_Geom'
- violated(self, *args, **kwargs) -> 'bool'
Static methods defined here:
- __swig_destroy__ = delete_RacerHBKernel(...)
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 RacerHBPot_DA(builtins.object) |
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RacerHBPot_DA(*args)
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Methods defined here:
- __init__(self, *args)
- Initialize self. See help(type(self)) for accurate signature.
- __repr__ = _swig_repr(self)
Static methods defined here:
- __swig_destroy__ = delete_RacerHBPot_DA(...)
Data descriptors defined here:
- __dict__
dictionary for instance variables (if defined)
- __weakref__
list of weak references to the object (if defined)
- atom
- atom1
- atom2
- thisown
The membership flag
- typeNum
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class RacerHBPot_Geom(builtins.object) |
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RacerHBPot_Geom(*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_RacerHBPot_Geom(...)
Data descriptors defined here:
- __dict__
dictionary for instance variables (if defined)
- __weakref__
list of weak references to the object (if defined)
- r
- theta_a
- theta_d
- thisown
The membership flag
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class RacerHBPot_LetterClass(HBBasePot_RacerHBKernel) |
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RacerHBPot_LetterClass(*args, **kwargs)
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- Method resolution order:
- RacerHBPot_LetterClass
- HBBasePot_RacerHBKernel
- builtins.object
Methods defined here:
- __init__(self, *args, **kwargs)
- Initialize self. See help(type(self)) for accurate signature.
- __repr__ = _swig_repr(self)
- acceptors(self, *args, **kwargs) -> 'CDSList< RacerHBPot_DA > const &'
- donors(self, *args, **kwargs) -> 'CDSList< RacerHBPot_DA > const &'
- energy(self, *args, **kwargs) -> 'float_type'
- epsilon(self, *args, **kwargs) -> 'float_type const'
- getGeom(self, *args, **kwargs) -> 'RacerHBPot_Geom'
- info(self, *args, **kwargs) -> 'String'
- setEpsilon(self, *args, **kwargs) -> 'void'
- setSigma(self, *args, **kwargs) -> 'void'
- sigma(self, *args, **kwargs) -> 'float_type const'
- violated(self, *args, **kwargs) -> 'bool'
Static methods defined here:
- __swig_destroy__ = delete_RacerHBPot_LetterClass(...)
Data descriptors defined here:
- thisown
The membership flag
Methods inherited from HBBasePot_RacerHBKernel:
- calcEnergy(self, *args, **kwargs) -> 'float_type'
- calcEnergyAndDerivs(self, *args, **kwargs) -> 'float_type'
- findAcceptorsDonors(self, *args, **kwargs) -> 'void'
- hbonds(self, *args, **kwargs) -> 'CDSList< Pair< int,int > > const &'
- moveTol(self, *args, **kwargs) -> 'float_type const'
- numRestraints(self, *args, **kwargs) -> 'int'
- rMax(self, *args, **kwargs) -> 'float_type const'
- rOn(self, *args, **kwargs) -> 'float_type const'
- residCutoff(self, *args, **kwargs) -> 'int const'
- rms(self, *args, **kwargs) -> 'float_type'
- selection(self, *args, **kwargs) -> 'AtomSel'
- setMoveTol(self, *args, **kwargs) -> 'void'
- setRMax(self, *args, **kwargs) -> 'void'
- setROn(self, *args, **kwargs) -> 'void'
- setResidCutoff(self, *args, **kwargs) -> 'void'
- setVerbose(self, *args, **kwargs) -> 'void'
- verbose(self, *args, **kwargs) -> 'bool const'
- violations(self, *args, **kwargs) -> 'float_type'
Data descriptors inherited from HBBasePot_RacerHBKernel:
- __dict__
dictionary for instance variables (if defined)
- __weakref__
list of weak references to the object (if defined)
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realRacerHBPot = class RacerHBPot(builtins.object) |
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realRacerHBPot(*args)
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Methods defined here:
- __deref__(self, *args, **kwargs) -> 'RacerHBPot *'
- __init__(self, *args)
- __oldinit__ = __init__(self, *args, **kwargs)
- __ref__(self, *args, **kwargs) -> 'RacerHBPot &'
- __repr__ = _swig_repr(self)
- acceptors(self, *args, **kwargs) -> 'CDSList< RacerHBPot_DA > const &'
- calcEnergy(self, *args, **kwargs) -> 'float_type'
- calcEnergyAndDerivs(self, *args, **kwargs) -> 'float_type'
- decrRefCnt(self, *args, **kwargs) -> 'void'
- donors(self, *args, **kwargs) -> 'CDSList< RacerHBPot_DA > const &'
- energy(self, *args, **kwargs) -> 'float_type'
- epsilon(self, *args, **kwargs) -> 'float_type const'
- findAcceptorsDonors(self, *args, **kwargs) -> 'void'
- getGeom(self, *args, **kwargs) -> 'RacerHBPot_Geom'
- hbonds(self, *args, **kwargs) -> 'CDSList< Pair< int,int > > const &'
- incrRefCnt(self, *args, **kwargs) -> 'void'
- info(self, *args, **kwargs) -> 'String'
- instanceData(self, *args, **kwargs) -> 'PyObject *'
- instanceName(self, *args, **kwargs) -> 'char const *'
- moveTol(self, *args, **kwargs) -> 'float_type const'
- numRestraints(self, *args, **kwargs) -> 'int'
- potName(self, *args, **kwargs) -> 'char const *'
- rMax(self, *args, **kwargs) -> 'float_type const'
- rOn(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'
- residCutoff(self, *args, **kwargs) -> 'int const'
- rms(self, *args, **kwargs) -> 'float_type'
- scale(self, *args, **kwargs) -> 'float_type const'
- selection(self, *args, **kwargs) -> 'AtomSel'
- setEpsilon(self, *args, **kwargs) -> 'void'
- setMoveTol(self, *args, **kwargs) -> 'void'
- setRMax(self, *args, **kwargs) -> 'void'
- setROn(self, *args, **kwargs) -> 'void'
- setResidCutoff(self, *args, **kwargs) -> 'void'
- setScale(self, *args, **kwargs) -> 'void'
- setSigma(self, *args, **kwargs) -> 'void'
- setThreshold(self, *args, **kwargs) -> 'void'
- setVerbose(self, *args, **kwargs) -> 'void'
- sigma(self, *args, **kwargs) -> 'float_type 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'
- violated(self, *args, **kwargs) -> 'bool'
- violations(self, *args, **kwargs) -> 'float_type'
Static methods defined here:
- __swig_destroy__ = delete_RacerHBPot(...)
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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