publicIVM		index
publicIVM.py

low level C++ IVM interface
 
please see the ivm module for a user-callable interface.
 

 
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 0x15937f8>
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 0x15939b8>
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 0x15938d8>
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 0x15939b8>
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 0x15935c8>
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 0x15937c0>
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 0x15938a0>
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 0x15939b8>
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(...)