access to native XPLOR potential terms
 
The XplorPot class allows access to potential terms written using the XPLOR
interface. The setup of these terms is performed within the XPLOR interface, 
or using the helper functions in the protocol module. Analysis of most 
XPLOR terms is handled by the analyze function in the simulationTools
module.
 
Constructor:
  XplorPot(NAME) 
   NAME is a string (maximum 4 characters) which represents an XPLOR 
   potential term. 
 
   NAME can also be a list of XPLOR term names, separated by the "+" character. 
   This is useful for certain terms, like PVDW, and VDW which do not evaluate
   correctly if evaluated separately.
 
Methods:
 
  only the standard potential terms exist:
 
  potName()      - returns 'XplorPot'
  instanceName() - returns NAME given in the constructor
 
  scale()            - get/set a scale factor for this term
  setScale(scaleFac) -  NOTE: this is independent of scalings set within
                        the XPLOR interface.
 
  calcEnergy()                   - calc energy without and with gradient
  calcEnergyAndDerivs(DerivList) -   evaluation. Return the energy value.
 
  rms()        - return XPLOR-calculated RMSD for this term, if it is defined 
                 in python/xplorPotTools.py
  violations() - return XPLOR-calculated number of violations for this term, if
                 it is defined in python/xplorPotTools.py
  numRestraints() - return XPLOR-calculated number of restraints for this term,
                    if it is defined in python/xplorPotTools.py
 

Classes
		__builtin__.object Modified ModifiedPtr ModifiedBase ModifiedBasePtr XplorPot XplorPotPtr XplorPot_Delegate PyXplorPot_Delegate PyXplorPot_DelegatePtr XplorPot_DelegatePtr XplorPot_LetterClass XplorPot_LetterClassPtr   class Modified(__builtin__.object)       Methods defined here: __call__(*args) __del__(self, destroy=<built-in function delete_Modified>) __getattr__ lambda self, name __init__(self, *args) __repr__(self) __setattr__ lambda self, name, value clear(*args) set(*args) update(*args) value(*args) Data and other attributes defined here: MOD_SELF = 1 MOD_SIMULATION = 2 __dict__ = <dictproxy object at 0x12defd8> dictionary for instance variables (if defined) __swig_getmethods__ = {} __swig_setmethods__ = {} __weakref__ = <attribute '__weakref__' of 'Modified' objects> list of weak references to the object (if defined)   class ModifiedBase(__builtin__.object)       Methods defined here: __del__(self, destroy=<built-in function delete_ModifiedBase>) __getattr__ lambda self, name __init__(self) __repr__(self) __setattr__ lambda self, name, value registerTo(*args) unRegister(*args) updateValues(*args) Properties defined here: modified get = ModifiedBase_modified_get(...) set = ModifiedBase_modified_set(...) registeredSimulations get = ModifiedBase_registeredSimulations_get(...) set = ModifiedBase_registeredSimulations_set(...) Data and other attributes defined here: __dict__ = <dictproxy object at 0x12def68> dictionary for instance variables (if defined) __swig_getmethods__ = {'modified': <built-in function ModifiedBase_modified_get>, 'registeredSimulations': <built-in function ModifiedBase_registeredSimulations_get>} __swig_setmethods__ = {'modified': <built-in function ModifiedBase_modified_set>, 'registeredSimulations': <built-in function ModifiedBase_registeredSimulations_set>} __weakref__ = <attribute '__weakref__' of 'ModifiedBase' objects> list of weak references to the object (if defined)   class ModifiedBasePtr(ModifiedBase)       Method resolution order: ModifiedBasePtr ModifiedBase __builtin__.object Methods defined here: __init__(self, this) Methods inherited from ModifiedBase: __del__(self, destroy=<built-in function delete_ModifiedBase>) __getattr__ lambda self, name __repr__(self) __setattr__ lambda self, name, value registerTo(*args) unRegister(*args) updateValues(*args) Properties inherited from ModifiedBase: modified get = ModifiedBase_modified_get(...) set = ModifiedBase_modified_set(...) registeredSimulations get = ModifiedBase_registeredSimulations_get(...) set = ModifiedBase_registeredSimulations_set(...) Data and other attributes inherited from ModifiedBase: __dict__ = <dictproxy object at 0x12dec58> dictionary for instance variables (if defined) __swig_getmethods__ = {'modified': <built-in function ModifiedBase_modified_get>, 'registeredSimulations': <built-in function ModifiedBase_registeredSimulations_get>} __swig_setmethods__ = {'modified': <built-in function ModifiedBase_modified_set>, 'registeredSimulations': <built-in function ModifiedBase_registeredSimulations_set>} __weakref__ = <attribute '__weakref__' of 'ModifiedBase' objects> list of weak references to the object (if defined)   class ModifiedPtr(Modified)       Method resolution order: ModifiedPtr Modified __builtin__.object Methods defined here: __init__(self, this) Methods inherited from Modified: __call__(*args) __del__(self, destroy=<built-in function delete_Modified>) __getattr__ lambda self, name __repr__(self) __setattr__ lambda self, name, value clear(*args) set(*args) update(*args) value(*args) Data and other attributes inherited from Modified: MOD_SELF = 1 MOD_SIMULATION = 2 __dict__ = <dictproxy object at 0x12dec58> dictionary for instance variables (if defined) __swig_getmethods__ = {} __swig_setmethods__ = {} __weakref__ = <attribute '__weakref__' of 'Modified' objects> list of weak references to the object (if defined)   class PyXplorPot_Delegate(XplorPot_Delegate)       Method resolution order: PyXplorPot_Delegate XplorPot_Delegate __builtin__.object Methods defined here: __del__(self, destroy=<built-in function delete_PyXplorPot_Delegate>) __getattr__ lambda self, name __init__(self, *args) __repr__(self) __setattr__ lambda self, name, value calcPotData(*args) numRestraints(*args) rms(*args) violations(*args) Data and other attributes defined here: __swig_getmethods__ = {} __swig_setmethods__ = {} Data and other attributes inherited from XplorPot_Delegate: __dict__ = <dictproxy object at 0x12def30> dictionary for instance variables (if defined) __weakref__ = <attribute '__weakref__' of 'XplorPot_Delegate' objects> list of weak references to the object (if defined)   class PyXplorPot_DelegatePtr(PyXplorPot_Delegate)       Method resolution order: PyXplorPot_DelegatePtr PyXplorPot_Delegate XplorPot_Delegate __builtin__.object Methods defined here: __init__(self, this) Methods inherited from PyXplorPot_Delegate: __del__(self, destroy=<built-in function delete_PyXplorPot_Delegate>) __getattr__ lambda self, name __repr__(self) __setattr__ lambda self, name, value calcPotData(*args) numRestraints(*args) rms(*args) violations(*args) Data and other attributes inherited from PyXplorPot_Delegate: __swig_getmethods__ = {} __swig_setmethods__ = {} Data and other attributes inherited from XplorPot_Delegate: __dict__ = <dictproxy object at 0x12dec90> dictionary for instance variables (if defined) __weakref__ = <attribute '__weakref__' of 'XplorPot_Delegate' objects> list of weak references to the object (if defined)   class XplorPot(__builtin__.object)       Methods defined here: __del__(self, destroy=<built-in function delete_XplorPot>) __deref__(*args) __getattr__ lambda self, name __init__ = construct(self, *args) __mul__(*args) __oldinit__ = __init__(self, *args) __repr__(self) __setattr__ lambda self, name, value calcEnergy(*args) calcEnergyAndDerivs(*args) help(*args) incrRefCount(*args) instanceData(*args) instanceName(*args) numRestraints(*args) pointer(*args) potName(*args) registerInstanceData(*args) registerTo(*args) resetPotName(*args) rms(*args) scale(*args) setDelegate(*args) setScale(*args) setThreshold(*args) simulation(*args) threshold(*args) unRegister(*args) updateValues(*args) violations(*args) Properties defined here: instanceData_ get = XplorPot_instanceData__get(...) set = XplorPot_instanceData__set(...) modified get = XplorPot_modified_get(...) set = XplorPot_modified_set(...) registeredSimulations get = XplorPot_registeredSimulations_get(...) set = XplorPot_registeredSimulations_set(...) Data and other attributes defined here: __dict__ = <dictproxy object at 0x12def30> dictionary for instance variables (if defined) __swig_getmethods__ = {'instanceData_': <built-in function XplorPot_instanceData__get>, 'modified': <built-in function XplorPot_modified_get>, 'registeredSimulations': <built-in function XplorPot_registeredSimulations_get>} __swig_setmethods__ = {'instanceData_': <built-in function XplorPot_instanceData__set>, 'modified': <built-in function XplorPot_modified_set>, 'registeredSimulations': <built-in function XplorPot_registeredSimulations_set>} __weakref__ = <attribute '__weakref__' of 'XplorPot' objects> list of weak references to the object (if defined)   class XplorPotPtr(XplorPot)       Method resolution order: XplorPotPtr XplorPot __builtin__.object Methods defined here: __init__(self, this) Methods inherited from XplorPot: __del__(self, destroy=<built-in function delete_XplorPot>) __deref__(*args) __getattr__ lambda self, name __mul__(*args) __oldinit__ = __init__(self, *args) __repr__(self) __setattr__ lambda self, name, value calcEnergy(*args) calcEnergyAndDerivs(*args) help(*args) incrRefCount(*args) instanceData(*args) instanceName(*args) numRestraints(*args) pointer(*args) potName(*args) registerInstanceData(*args) registerTo(*args) resetPotName(*args) rms(*args) scale(*args) setDelegate(*args) setScale(*args) setThreshold(*args) simulation(*args) threshold(*args) unRegister(*args) updateValues(*args) violations(*args) Properties inherited from XplorPot: instanceData_ get = XplorPot_instanceData__get(...) set = XplorPot_instanceData__set(...) modified get = XplorPot_modified_get(...) set = XplorPot_modified_set(...) registeredSimulations get = XplorPot_registeredSimulations_get(...) set = XplorPot_registeredSimulations_set(...) Data and other attributes inherited from XplorPot: __dict__ = <dictproxy object at 0x12defd8> dictionary for instance variables (if defined) __swig_getmethods__ = {'instanceData_': <built-in function XplorPot_instanceData__get>, 'modified': <built-in function XplorPot_modified_get>, 'registeredSimulations': <built-in function XplorPot_registeredSimulations_get>} __swig_setmethods__ = {'instanceData_': <built-in function XplorPot_instanceData__set>, 'modified': <built-in function XplorPot_modified_set>, 'registeredSimulations': <built-in function XplorPot_registeredSimulations_set>} __weakref__ = <attribute '__weakref__' of 'XplorPot' objects> list of weak references to the object (if defined)   class XplorPot_Delegate(__builtin__.object)       Methods defined here: __del__(self, destroy=<built-in function delete_XplorPot_Delegate>) __getattr__ lambda self, name __init__(self, *args) __repr__(self) __setattr__ lambda self, name, value numRestraints(*args) rms(*args) violations(*args) Data and other attributes defined here: __dict__ = <dictproxy object at 0x12dec58> dictionary for instance variables (if defined) __swig_getmethods__ = {} __swig_setmethods__ = {} __weakref__ = <attribute '__weakref__' of 'XplorPot_Delegate' objects> list of weak references to the object (if defined)   class XplorPot_DelegatePtr(XplorPot_Delegate)       Method resolution order: XplorPot_DelegatePtr XplorPot_Delegate __builtin__.object Methods defined here: __init__(self, this) Methods inherited from XplorPot_Delegate: __del__(self, destroy=<built-in function delete_XplorPot_Delegate>) __getattr__ lambda self, name __repr__(self) __setattr__ lambda self, name, value numRestraints(*args) rms(*args) violations(*args) Data and other attributes inherited from XplorPot_Delegate: __dict__ = <dictproxy object at 0x12dee18> dictionary for instance variables (if defined) __swig_getmethods__ = {} __swig_setmethods__ = {} __weakref__ = <attribute '__weakref__' of 'XplorPot_Delegate' objects> list of weak references to the object (if defined)   class XplorPot_LetterClass(__builtin__.object)       Methods defined here: __del__(self, destroy=<built-in function delete_XplorPot_LetterClass>) __getattr__ lambda self, name __init__(self, *args) __repr__(self) __setattr__ lambda self, name, value calcEnergy(*args) calcEnergyAndDerivs(*args) help(*args) numRestraints(*args) rms(*args) setDelegate(*args) simulation(*args) violations(*args) Data and other attributes defined here: __dict__ = <dictproxy object at 0x12defd8> dictionary for instance variables (if defined) __swig_getmethods__ = {} __swig_setmethods__ = {} __weakref__ = <attribute '__weakref__' of 'XplorPot_LetterClass' objects> list of weak references to the object (if defined)   class XplorPot_LetterClassPtr(XplorPot_LetterClass)       Method resolution order: XplorPot_LetterClassPtr XplorPot_LetterClass __builtin__.object Methods defined here: __init__(self, this) Methods inherited from XplorPot_LetterClass: __del__(self, destroy=<built-in function delete_XplorPot_LetterClass>) __getattr__ lambda self, name __repr__(self) __setattr__ lambda self, name, value calcEnergy(*args) calcEnergyAndDerivs(*args) help(*args) numRestraints(*args) rms(*args) setDelegate(*args) simulation(*args) violations(*args) Data and other attributes inherited from XplorPot_LetterClass: __dict__ = <dictproxy object at 0x12deef8> dictionary for instance variables (if defined) __swig_getmethods__ = {} __swig_setmethods__ = {} __weakref__ = <attribute '__weakref__' of 'XplorPot_LetterClass' objects> list of weak references to the object (if defined)

Functions
		construct(self, *args) help(...) oldConstructor = __init__(self, *args) unbound XplorPot method