Python: module racerHBPot
 
racerHBPot
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# This file was automatically generated by SWIG (http://www.swig.org).
# Version 4.0.2
#
# Do not make changes to this file unless you know what you are doing--modify
# the SWIG interface file instead.

 
Classes
       
builtins.object
CDSList_CDSList_int
CDSList_DA
CDSList_DAClass
CDSList_Pair_int_int
HBBasePot_RacerHBKernel
RacerHBPot_LetterClass
HBBase_DAClass
Modified
ModifiedBase
Pair_int_int
RacerHBKernel
RacerHBPot
RacerHBPot_DA
RacerHBPot_Geom

 
class CDSList_CDSList_int(builtins.object)
    CDSList_CDSList_int(*args)
 

 
  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

 
class CDSList_DA(builtins.object)
    CDSList_DA(*args)
 

 
  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

 
class CDSList_DAClass(builtins.object)
    CDSList_DAClass(*args)
 

 
  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

 
class CDSList_Pair_int_int(builtins.object)
    CDSList_Pair_int_int(*args)
 

 
  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

 
class HBBasePot_RacerHBKernel(builtins.object)
    HBBasePot_RacerHBKernel(*args, **kwargs)
 

 
  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

 
class HBBase_DAClass(builtins.object)
    HBBase_DAClass(*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_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

 

 
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'
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

 
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 Pair_int_int(builtins.object)
    Pair_int_int(*args)
 

 
  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

 
class RacerHBKernel(builtins.object)
    RacerHBKernel(*args, **kwargs)
 

 
  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

 
class RacerHBPot_DA(builtins.object)
    RacerHBPot_DA(*args)
 

 
  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

 

 
class RacerHBPot_Geom(builtins.object)
    RacerHBPot_Geom(*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_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

 
class RacerHBPot_LetterClass(HBBasePot_RacerHBKernel)
    RacerHBPot_LetterClass(*args, **kwargs)
 

 
 
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)

 
realRacerHBPot = class RacerHBPot(builtins.object)
    realRacerHBPot(*args)
 

 
  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

 
Functions
       
RacerHBPot(*args)
pyXplorHelp(*args) -> 'String'