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Python: module ensSymSimulation
 
ensSymSimulation		 index

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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
Modified
ModifiedBase
EnsSymSimulation(ensembleSimulationBase.EnsembleSimulationBase, ModifiedBase)
ensembleSimulationBase.EnsMemberSimulationBase(simulation.Simulation)
EnsSymMemberSimulation
ensembleSimulationBase.EnsembleSimulationBase(simulation.Simulation)
EnsSymSimulation(ensembleSimulationBase.EnsembleSimulationBase, ModifiedBase)

 
class EnsSymMemberSimulation(ensembleSimulationBase.EnsMemberSimulationBase)
    EnsSymMemberSimulation(*args, **kwargs)
 

 
 
Method resolution order:
EnsSymMemberSimulation
ensembleSimulationBase.EnsMemberSimulationBase
simulation.Simulation
builtins.object
Methods defined here:
__init__(self, *args, **kwargs)
Initialize self.  See help(type(self)) for accurate signature.
__repr__ = _swig_repr(self)
addDependent(self, *args, **kwargs) -> 'void'
atomCharge(self, *args, **kwargs) -> 'float_type const &'
atomFric(self, *args, **kwargs) -> 'float_type const &'
atomID(self, *args, **kwargs) -> 'int'
atomMass(self, *args, **kwargs) -> 'float_type const &'
atomMassArr(self, *args, **kwargs) -> 'CDSVector< float_type >'
atomName(self, *args, **kwargs) -> 'String'
atomNameArr(self, *args, **kwargs) -> 'CDSVector< Simulation::char4 >'
atomPos(self, *args, **kwargs) -> 'Vec3 const &'
atomPosArr(self, *args, **kwargs) -> 'CDSVector< Vec3 >'
atomVel(self, *args, **kwargs) -> 'Vec3 const &'
atomVelArr(self, *args, **kwargs) -> 'CDSVector< Vec3 >'
bondPairByID(self, *args, **kwargs) -> 'BondIDPair const &'
calcKE(self, *args, **kwargs) -> 'float_type'
chemType(self, *args, **kwargs) -> 'String'
chemTypeArr(self, *args, **kwargs) -> 'CDSVector< Simulation::char4 >'
deleteAtoms(self, *args, **kwargs) -> 'void'
ensembleSim(self, *args, **kwargs) -> 'EnsSymSimulation *'
lookupID(self, *args, **kwargs) -> 'int'
markAsModified(self, *args, **kwargs) -> 'void'
memberIndex(self, *args, **kwargs) -> 'int'
modifiedID(self, *args, **kwargs) -> 'Simulation const *'
removeDependent(self, *args, **kwargs) -> 'void'
residueName(self, *args, **kwargs) -> 'String'
residueNameArr(self, *args, **kwargs) -> 'CDSVector< Simulation::char4 >'
residueNum(self, *args, **kwargs) -> 'int'
residueNumArr(self, *args, **kwargs) -> 'CDSVector< int >'
resize(self, *args, **kwargs) -> 'void'
segmentName(self, *args, **kwargs) -> 'String'
segmentNameArr(self, *args, **kwargs) -> 'CDSVector< Simulation::char4 >'
select(self, *args, **kwargs) -> 'CDSList< int >'
setAtomCharge(self, *args, **kwargs) -> 'void'
setAtomFric(self, *args, **kwargs) -> 'void'
setAtomMass(self, *args, **kwargs) -> 'void'
setAtomMassArr(self, *args, **kwargs) -> 'void'
setAtomName(self, *args, **kwargs) -> 'void'
setAtomPos(self, *args, **kwargs) -> 'void'
setAtomPosArr(self, *args, **kwargs) -> 'void'
setAtomVel(self, *args, **kwargs) -> 'void'
setAtomVelArr(self, *args, **kwargs) -> 'void'
setChemType(self, *args, **kwargs) -> 'void'
setResidueName(self, *args, **kwargs) -> 'void'
setResidueNum(self, *args, **kwargs) -> 'void'
setSegmentName(self, *args, **kwargs) -> 'void'
sleep(self, *args, **kwargs) -> 'void'
subSim(self, *args, **kwargs) -> 'SymSimulation *'
syncDerivs(self, *args, **kwargs) -> 'void'
type(self, *args, **kwargs) -> 'String const'
wake(self, *args, **kwargs) -> 'void'
weight(self, *args, **kwargs) -> 'float_type'
Static methods defined here:
__swig_destroy__ = delete_EnsSymMemberSimulation(...)
Data descriptors defined here:
thisown

 
The membership flag
Methods inherited from ensembleSimulationBase.EnsMemberSimulationBase:
getKE(self, *args, **kwargs) -> 'float_type'
Methods inherited from simulation.Simulation:
__eq__(self, other)
Return self==value.
__ne__(self, other)
Return self!=value.
atomByID(self, *args, **kwargs) -> 'Atom'
atomString(self, *args, **kwargs) -> 'String'
deleteAtoms_byIndex(self, *args, **kwargs) -> 'void'
forceUpdate(self, *args, **kwargs) -> 'int const'
kineticEnergy(self, *args, **kwargs) -> 'float_type'
name(self, *args, **kwargs) -> 'String const'
noFit(self, *args, **kwargs) -> 'bool const'
numAtoms(self, *args, **kwargs) -> 'int'
numBonds(self, *args, **kwargs) -> 'int'
numDependents(self, *args, **kwargs) -> 'int'
pyXplorHelp(self, *args, **kwargs) -> 'String'
rawID(self, *args, **kwargs) -> 'int'
registerCallbacks(self, *args, **kwargs) -> 'void'
setForceUpdate(self, *args, **kwargs) -> 'void'
setNoFit(self, *args, **kwargs) -> 'void'
sync(self, *args, **kwargs) -> 'void'
Static methods inherited from simulation.Simulation:
currentSimulation(*args, **kwargs) -> 'Simulation *'
deleteSimulation(*args, **kwargs) -> 'void'
getReference(*args, **kwargs) -> 'rc_Simulation &'
makeCurrent(*args, **kwargs) -> 'void'
numSimulations(*args, **kwargs) -> 'int'
simulationByID(*args, **kwargs) -> 'Simulation *'
syncAllSimulations(*args, **kwargs) -> 'void'
validSimulation(*args, **kwargs) -> 'bool'
Data descriptors inherited from simulation.Simulation:
__dict__

 
dictionary for instance variables (if defined)
__weakref__

 
list of weak references to the object (if defined)
Data and other attributes inherited from simulation.Simulation:
__hash__ = None

 
class EnsSymSimulation(ensembleSimulationBase.EnsembleSimulationBase, ModifiedBase)
    EnsSymSimulation(*args, **kwargs)
 

 
 
Method resolution order:
EnsSymSimulation
ensembleSimulationBase.EnsembleSimulationBase
simulation.Simulation
ModifiedBase
builtins.object
Methods defined here:
__del__(self)
#somewhat fragile...
__init__(self, *args, **kwargs)
Initialize self.  See help(type(self)) for accurate signature.
__repr__ = _swig_repr(self)
addDependent(self, *args, **kwargs) -> 'void'
atomCharge(self, *args, **kwargs) -> 'float_type const &'
atomFric(self, *args, **kwargs) -> 'float_type const &'
atomID(self, *args, **kwargs) -> 'int'
atomMass(self, *args, **kwargs) -> 'float_type const &'
atomMassArr(self, *args, **kwargs) -> 'CDSVector< float_type >'
atomName(self, *args, **kwargs) -> 'String'
atomNameArr(self, *args, **kwargs) -> 'CDSVector< Simulation::char4 >'
atomPos(self, *args, **kwargs) -> 'Vec3 const &'
atomPosArr(self, *args, **kwargs) -> 'CDSVector< Vec3 >'
atomString(self, *args, **kwargs) -> 'String'
atomVel(self, *args, **kwargs) -> 'Vec3 const &'
atomVelArr(self, *args, **kwargs) -> 'CDSVector< Vec3 >'
aveType(self, *args, **kwargs) -> 'EnsSimulation::AveType'
barrier(self, *args, **kwargs) -> 'void'
bondPairByID(self, *args, **kwargs) -> 'BondIDPair const &'
chemType(self, *args, **kwargs) -> 'String'
chemTypeArr(self, *args, **kwargs) -> 'CDSVector< Simulation::char4 >'
deleteAtoms(self, *args, **kwargs) -> 'void'
ensembleSim(self, *args) -> 'EnsembleSimulation const *'
kineticEnergy(self, *args, **kwargs) -> 'float_type'
lookupID(self, *args, **kwargs) -> 'int'
markAsModified(self, *args, **kwargs) -> 'void'
modifiedID(self, *args, **kwargs) -> 'Simulation const *'
multiThread(self, *args, **kwargs) -> 'void'
registerCallbacks(self, *args, **kwargs) -> 'void'
removeDependent(self, *args, **kwargs) -> 'void'
residueName(self, *args, **kwargs) -> 'String'
residueNameArr(self, *args, **kwargs) -> 'CDSVector< Simulation::char4 >'
residueNum(self, *args, **kwargs) -> 'int'
residueNumArr(self, *args, **kwargs) -> 'CDSVector< int >'
resize(self, *args, **kwargs) -> 'void'
segmentName(self, *args, **kwargs) -> 'String'
segmentNameArr(self, *args, **kwargs) -> 'CDSVector< Simulation::char4 >'
select(self, *args, **kwargs) -> 'CDSList< int >'
setAtomCharge(self, *args, **kwargs) -> 'void'
setAtomFric(self, *args, **kwargs) -> 'void'
setAtomMass(self, *args, **kwargs) -> 'void'
setAtomMassArr(self, *args, **kwargs) -> 'void'
setAtomName(self, *args, **kwargs) -> 'void'
setAtomPos(self, *args, **kwargs) -> 'void'
setAtomPosArr(self, *args, **kwargs) -> 'void'
setAtomVel(self, *args, **kwargs) -> 'void'
setAtomVelArr(self, *args, **kwargs) -> 'void'
setAveType(self, *args, **kwargs) -> 'void'
setChemType(self, *args, **kwargs) -> 'void'
setResidueName(self, *args, **kwargs) -> 'void'
setResidueNum(self, *args, **kwargs) -> 'void'
setSegmentName(self, *args, **kwargs) -> 'void'
setWeights(self, *args, **kwargs) -> 'void'
sharedObj(self, obj=0)
sharedString(self, *args, **kwargs) -> 'EnsSimulation::SharedString *'
singleThread(self, *args, **kwargs) -> 'bool'
singleThreaded(self, *args, **kwargs) -> 'bool'
size(self, *args, **kwargs) -> 'int'
symSim(self, *args) -> 'SymSimulation const *'
sync(self, *args, **kwargs) -> 'void'
syncDerivs(self, *args, **kwargs) -> 'void'
type(self, *args, **kwargs) -> 'String const'
updateValues(self, *args, **kwargs) -> 'void'
weight(self, *args, **kwargs) -> 'float_type'
Static methods defined here:
__swig_destroy__ = delete_EnsSymSimulation(...)
Data descriptors defined here:
thisown

 
The membership flag
Methods inherited from ensembleSimulationBase.EnsembleSimulationBase:
__eq__(self, other)
Return self==value.
__ne__(self, other)
Return self!=value.
collect(self, val)
meanAtomPosArr(self, *args, **kwargs) -> 'CDSVector< Vec3 >'
member(self, *args) -> 'EnsMemberSimulationBase const *'
members(self, *args) -> 'EnsMemberSimulationBase const *'
subSim(self, *args, **kwargs) -> 'Simulation *'
Data and other attributes inherited from ensembleSimulationBase.EnsembleSimulationBase:
__hash__ = None
Methods inherited from simulation.Simulation:
atomByID(self, *args, **kwargs) -> 'Atom'
deleteAtoms_byIndex(self, *args, **kwargs) -> 'void'
forceUpdate(self, *args, **kwargs) -> 'int const'
name(self, *args, **kwargs) -> 'String const'
noFit(self, *args, **kwargs) -> 'bool const'
numAtoms(self, *args, **kwargs) -> 'int'
numBonds(self, *args, **kwargs) -> 'int'
numDependents(self, *args, **kwargs) -> 'int'
pyXplorHelp(self, *args, **kwargs) -> 'String'
rawID(self, *args, **kwargs) -> 'int'
setForceUpdate(self, *args, **kwargs) -> 'void'
setNoFit(self, *args, **kwargs) -> 'void'
Static methods inherited from simulation.Simulation:
currentSimulation(*args, **kwargs) -> 'Simulation *'
deleteSimulation(*args, **kwargs) -> 'void'
getReference(*args, **kwargs) -> 'rc_Simulation &'
makeCurrent(*args, **kwargs) -> 'void'
numSimulations(*args, **kwargs) -> 'int'
simulationByID(*args, **kwargs) -> 'Simulation *'
syncAllSimulations(*args, **kwargs) -> 'void'
validSimulation(*args, **kwargs) -> 'bool'
Data descriptors inherited from simulation.Simulation:
__dict__

 
dictionary for instance variables (if defined)
__weakref__

 
list of weak references to the object (if defined)
Methods inherited from ModifiedBase:
registerTo(self, *args, **kwargs) -> 'void'
unRegister(self, *args, **kwargs) -> 'void'
Data descriptors inherited from ModifiedBase:
modified

 
registeredSimulations

 

 
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

 
Functions
       
fromSimulation(*args, **kwargs) -> 'EnsSymSimulation *'
memberFromSimulation(*args, **kwargs) -> 'EnsSymMemberSimulation *'
pyXplorHelp(*args) -> 'String'