publicIVM		index
publicIVM.py

low level C++ IVM interface
 
please see the ivm module for a user-callable interface.
 
 
 
# This file was created automatically by SWIG.
# Don't modify this file, modify the SWIG interface instead.
# This file is compatible with both classic and new-style classes.

 
Classes
       
__builtin__.object
CDSList_PublicNode
CDSList_PublicNodePtr
PublicIVM
PublicIVMPtr
PublicNode
PublicNodePtr
PyConvert_Exception
PyConvert_ExceptionPtr

 
class CDSList_PublicNode(__builtin__.object)
   
 

 
  Methods defined here:
__del__(self, destroy=<built-in function delete_CDSList_PublicNode>)

 
__delitem__(*args)

 
__getattr__ lambda self, name

 
__getitem__(*args)

 
__getslice__(*args)

 
__init__(self, *args)

 
__len__(*args)

 
__repr__(self)

 
__setattr__ lambda self, name, value

 
__setitem__(*args)

 
help(*args)

 
Data and other attributes defined here:
__dict__ = <dictproxy object at 0x2ab2da8>

 
dictionary for instance variables (if defined)
__swig_getmethods__ = {}
__swig_setmethods__ = {}
__weakref__ = <attribute '__weakref__' of 'CDSList_PublicNode' objects>

 
list of weak references to the object (if defined)

 
class CDSList_PublicNodePtr(CDSList_PublicNode)
   
 

 
 
Method resolution order:
CDSList_PublicNodePtr
CDSList_PublicNode
__builtin__.object
Methods defined here:
__init__(self, this)

 
Methods inherited from CDSList_PublicNode:
__del__(self, destroy=<built-in function delete_CDSList_PublicNode>)

 
__delitem__(*args)

 
__getattr__ lambda self, name

 
__getitem__(*args)

 
__getslice__(*args)

 
__len__(*args)

 
__repr__(self)

 
__setattr__ lambda self, name, value

 
__setitem__(*args)

 
help(*args)

 
Data and other attributes inherited from CDSList_PublicNode:
__dict__ = <dictproxy object at 0x2ab2e50>

 
dictionary for instance variables (if defined)
__swig_getmethods__ = {}
__swig_setmethods__ = {}
__weakref__ = <attribute '__weakref__' of 'CDSList_PublicNode' objects>

 
list of weak references to the object (if defined)

 
class PublicIVM(__builtin__.object)
   
 

 
  Methods defined here:
Ekinetic(*args)

 
Epotential(*args)

 
Etotal(*args)

 
__del__(self, destroy=<built-in function delete_PublicIVM>)

 
__getattr__ lambda self, name

 
__init__(self, *args)

 
__repr__(self)

 
__setattr__ lambda self, name, value

 
adjustStepsize(*args)

 
bathTemp(*args)

 
bondExclude(*args)

 
breakAllBondsIn(*args)

 
cTolerance(*args)

 
calcEnergy(*args)

 
calcTemperature(*args)

 
constrainLengths(*args)

 
constraintList(*args)

 
currentTemp(*args)

 
dEpred(*args)

 
dim(*args)

 
dof(*args)

 
eCount(*args)

 
eCountReset(*args)

 
eTolerance(*args)

 
frictionCoeff(*args)

 
gTolerance(*args)

 
gradMagnitude(*args)

 
groupList(*args)

 
groupTorsion(*args)

 
hingeList(*args)

 
idAtom(*args)

 
init(*args)

 
initDynamics(*args)

 
kBoltzmann(*args)

 
maxCalls(*args)

 
maxDeltaE(*args)

 
maxTSFactor(*args)

 
minStepSize(*args)

 
minimization(*args)

 
nodeList(*args)

 
oldBaseAtoms(*args)

 
pos(*args)

 
potList(*args)

 
printStepDetails(*args)

 
recenterLargeDispl(*args)

 
resetCM(*args)

 
responseTime(*args)

 
scaleVel(*args)

 
setAdjustStepsize(*args)

 
setBathTemp(*args)

 
setBondExclude(*args)

 
setCTolerance(*args)

 
setConstrainLengths(*args)

 
setConstraintList(*args)

 
setDEpred(*args)

 
setETolerance(*args)

 
setFrictionCoeff(*args)

 
setGTolerance(*args)

 
setGroupList(*args)

 
setHingeList(*args)

 
setMaxCalls(*args)

 
setMaxDeltaE(*args)

 
setMaxTSFactor(*args)

 
setMinStepSize(*args)

 
setOldBaseAtoms(*args)

 
setPos(*args)

 
setPotList(*args)

 
setRVecProd(*args)

 
setRVecSize(*args)

 
setRecenterLargeDispl(*args)

 
setResponseTime(*args)

 
setScaleVel(*args)

 
setStepType(*args)

 
setVecVec3Prod(*args)

 
setVecVec3Size(*args)

 
setVel(*args)

 
setVerbose(*args)

 
simulation(*args)

 
step(*args)

 
stepType(*args)

 
vel(*args)

 
velFromCartesian(*args)

 
verbose(*args)

 
Data and other attributes defined here:
__dict__ = <dictproxy object at 0x2ab2fd8>

 
dictionary for instance variables (if defined)
__swig_getmethods__ = {}
__swig_setmethods__ = {}
__weakref__ = <attribute '__weakref__' of 'PublicIVM' objects>

 
list of weak references to the object (if defined)
printCMVel = 32
printCoords = 1
printEnergy = 16
printLoopDebug = 4096
printLoopInfo = 8192
printNodeDef = 2048
printNodeForce = 64
printNodeKE = 16384
printNodePos = 128
printNodeTheta = 256
printResetCM = 2
printStepDebug = 512
printStepInfo = 1024
printTemperature = 8
printVelFromCartCost = 4

 
class PublicIVMPtr(PublicIVM)
   
 

 
 
Method resolution order:
PublicIVMPtr
PublicIVM
__builtin__.object
Methods defined here:
__init__(self, this)

 
Methods inherited from PublicIVM:
Ekinetic(*args)

 
Epotential(*args)

 
Etotal(*args)

 
__del__(self, destroy=<built-in function delete_PublicIVM>)

 
__getattr__ lambda self, name

 
__repr__(self)

 
__setattr__ lambda self, name, value

 
adjustStepsize(*args)

 
bathTemp(*args)

 
bondExclude(*args)

 
breakAllBondsIn(*args)

 
cTolerance(*args)

 
calcEnergy(*args)

 
calcTemperature(*args)

 
constrainLengths(*args)

 
constraintList(*args)

 
currentTemp(*args)

 
dEpred(*args)

 
dim(*args)

 
dof(*args)

 
eCount(*args)

 
eCountReset(*args)

 
eTolerance(*args)

 
frictionCoeff(*args)

 
gTolerance(*args)

 
gradMagnitude(*args)

 
groupList(*args)

 
groupTorsion(*args)

 
hingeList(*args)

 
idAtom(*args)

 
init(*args)

 
initDynamics(*args)

 
kBoltzmann(*args)

 
maxCalls(*args)

 
maxDeltaE(*args)

 
maxTSFactor(*args)

 
minStepSize(*args)

 
minimization(*args)

 
nodeList(*args)

 
oldBaseAtoms(*args)

 
pos(*args)

 
potList(*args)

 
printStepDetails(*args)

 
recenterLargeDispl(*args)

 
resetCM(*args)

 
responseTime(*args)

 
scaleVel(*args)

 
setAdjustStepsize(*args)

 
setBathTemp(*args)

 
setBondExclude(*args)

 
setCTolerance(*args)

 
setConstrainLengths(*args)

 
setConstraintList(*args)

 
setDEpred(*args)

 
setETolerance(*args)

 
setFrictionCoeff(*args)

 
setGTolerance(*args)

 
setGroupList(*args)

 
setHingeList(*args)

 
setMaxCalls(*args)

 
setMaxDeltaE(*args)

 
setMaxTSFactor(*args)

 
setMinStepSize(*args)

 
setOldBaseAtoms(*args)

 
setPos(*args)

 
setPotList(*args)

 
setRVecProd(*args)

 
setRVecSize(*args)

 
setRecenterLargeDispl(*args)

 
setResponseTime(*args)

 
setScaleVel(*args)

 
setStepType(*args)

 
setVecVec3Prod(*args)

 
setVecVec3Size(*args)

 
setVel(*args)

 
setVerbose(*args)

 
simulation(*args)

 
step(*args)

 
stepType(*args)

 
vel(*args)

 
velFromCartesian(*args)

 
verbose(*args)

 
Data and other attributes inherited from PublicIVM:
__dict__ = <dictproxy object at 0x2ab2d70>

 
dictionary for instance variables (if defined)
__swig_getmethods__ = {}
__swig_setmethods__ = {}
__weakref__ = <attribute '__weakref__' of 'PublicIVM' objects>

 
list of weak references to the object (if defined)
printCMVel = 32
printCoords = 1
printEnergy = 16
printLoopDebug = 4096
printLoopInfo = 8192
printNodeDef = 2048
printNodeForce = 64
printNodeKE = 16384
printNodePos = 128
printNodeTheta = 256
printResetCM = 2
printStepDebug = 512
printStepInfo = 1024
printTemperature = 8
printVelFromCartCost = 4

 
class PublicNode(__builtin__.object)
   
 

 
  Methods defined here:
__del__(self, destroy=<built-in function delete_PublicNode>)

 
__getattr__ lambda self, name

 
__init__(self, *args)

 
__repr__(self)

 
__setattr__ lambda self, name, value

 
atoms(*args)

 
dim(*args)

 
parentAtom(*args)

 
setAtoms(*args)

 
setDim(*args)

 
setParentAtom(*args)

 
setStartIndex(*args)

 
setType(*args)

 
startIndex(*args)

 
type(*args)

 
Data and other attributes defined here:
__dict__ = <dictproxy object at 0x2ab2fd8>

 
dictionary for instance variables (if defined)
__swig_getmethods__ = {}
__swig_setmethods__ = {}
__weakref__ = <attribute '__weakref__' of 'PublicNode' objects>

 
list of weak references to the object (if defined)

 
class PublicNodePtr(PublicNode)
   
 

 
 
Method resolution order:
PublicNodePtr
PublicNode
__builtin__.object
Methods defined here:
__init__(self, this)

 
Methods inherited from PublicNode:
__del__(self, destroy=<built-in function delete_PublicNode>)

 
__getattr__ lambda self, name

 
__repr__(self)

 
__setattr__ lambda self, name, value

 
atoms(*args)

 
dim(*args)

 
parentAtom(*args)

 
setAtoms(*args)

 
setDim(*args)

 
setParentAtom(*args)

 
setStartIndex(*args)

 
setType(*args)

 
startIndex(*args)

 
type(*args)

 
Data and other attributes inherited from PublicNode:
__dict__ = <dictproxy object at 0x2ab2e50>

 
dictionary for instance variables (if defined)
__swig_getmethods__ = {}
__swig_setmethods__ = {}
__weakref__ = <attribute '__weakref__' of 'PublicNode' objects>

 
list of weak references to the object (if defined)

 
class PyConvert_Exception(__builtin__.object)
   
 

 
  Methods defined here:
__del__(self, destroy=<built-in function delete_PyConvert_Exception>)

 
__getattr__ lambda self, name

 
__init__(self, *args)

 
__repr__(self)

 
__setattr__ lambda self, name, value

 
Data and other attributes defined here:
__dict__ = <dictproxy object at 0x2ab2da8>

 
dictionary for instance variables (if defined)
__swig_getmethods__ = {}
__swig_setmethods__ = {}
__weakref__ = <attribute '__weakref__' of 'PyConvert_Exception' objects>

 
list of weak references to the object (if defined)

 
class PyConvert_ExceptionPtr(PyConvert_Exception)
   
 

 
 
Method resolution order:
PyConvert_ExceptionPtr
PyConvert_Exception
__builtin__.object
Methods defined here:
__init__(self, this)

 
Methods inherited from PyConvert_Exception:
__del__(self, destroy=<built-in function delete_PyConvert_Exception>)

 
__getattr__ lambda self, name

 
__repr__(self)

 
__setattr__ lambda self, name, value

 
Data and other attributes inherited from PyConvert_Exception:
__dict__ = <dictproxy object at 0x2ab2f30>

 
dictionary for instance variables (if defined)
__swig_getmethods__ = {}
__swig_setmethods__ = {}
__weakref__ = <attribute '__weakref__' of 'PyConvert_Exception' objects>

 
list of weak references to the object (if defined)

 
Functions
       
help(...)

 

 
Data
        __package__ = None
pyXplorHelp = Type help() for interactive help, or help(object) for help about object.