pyPot		index
pyPot.py


PyPot: base class used by potential terms written in Python.
 
to write a potential term in Python, define a class which derives from
pyPot.PyPot, and make sure to call the base class' constructor.
Then, the new class should define two methods: 
calcEnergy, and calcEnergyAndDerivs(DerivList). 
 
Here is a trivial example:
 
from pyPot import PyPot
 
class ConstEnergy(PyPot):
  def __init__(s,instanceName,constVal):
      PyPot.__init__(s,instanceName,s)
      s.val = constVal
      return
  def calcEnergy(s):
      return s.val
  def calcEnergyAndDerivs(s,derivs):
      return s.val
 

 
Classes
       
__builtin__.object
Modified
ModifiedPtr
ModifiedBase
ModifiedBasePtr
PyPot
PyPotPtr
PyPot_LetterClass
PyPot_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 0x12dee18>
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 0x12dea98>
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 0x12dea98>
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 PyPot(__builtin__.object)
     Methods defined here:
__del__(self, destroy=<built-in function delete_PyPot>)
__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)
pythonPot(*args)
registerInstanceData(*args)
registerTo(*args)
resetPotName(*args)
rms(*args)
scale(*args)
setScale(*args)
setThreshold(*args)
threshold(*args)
unRegister(*args)
updateValues(*args)
violations(*args)
Properties defined here:
instanceData_
get = PyPot_instanceData__get(...)
set = PyPot_instanceData__set(...)
modified
get = PyPot_modified_get(...)
set = PyPot_modified_set(...)
registeredSimulations
get = PyPot_registeredSimulations_get(...)
set = PyPot_registeredSimulations_set(...)
Data and other attributes defined here:
__dict__ = <dictproxy object at 0x12e1280>
dictionary for instance variables (if defined)
__swig_getmethods__ = {'instanceData_': <built-in function PyPot_instanceData__get>, 'modified': <built-in function PyPot_modified_get>, 'registeredSimulations': <built-in function PyPot_registeredSimulations_get>}
__swig_setmethods__ = {'instanceData_': <built-in function PyPot_instanceData__set>, 'modified': <built-in function PyPot_modified_set>, 'registeredSimulations': <built-in function PyPot_registeredSimulations_set>}
__weakref__ = <attribute '__weakref__' of 'PyPot' objects>
list of weak references to the object (if defined)

 
class PyPotPtr(PyPot)
    
Method resolution order:
PyPotPtr
PyPot
__builtin__.object
Methods defined here:
__init__(self, this)
Methods inherited from PyPot:
__del__(self, destroy=<built-in function delete_PyPot>)
__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)
pythonPot(*args)
registerInstanceData(*args)
registerTo(*args)
resetPotName(*args)
rms(*args)
scale(*args)
setScale(*args)
setThreshold(*args)
threshold(*args)
unRegister(*args)
updateValues(*args)
violations(*args)
Properties inherited from PyPot:
instanceData_
get = PyPot_instanceData__get(...)
set = PyPot_instanceData__set(...)
modified
get = PyPot_modified_get(...)
set = PyPot_modified_set(...)
registeredSimulations
get = PyPot_registeredSimulations_get(...)
set = PyPot_registeredSimulations_set(...)
Data and other attributes inherited from PyPot:
__dict__ = <dictproxy object at 0x12dede0>
dictionary for instance variables (if defined)
__swig_getmethods__ = {'instanceData_': <built-in function PyPot_instanceData__get>, 'modified': <built-in function PyPot_modified_get>, 'registeredSimulations': <built-in function PyPot_registeredSimulations_get>}
__swig_setmethods__ = {'instanceData_': <built-in function PyPot_instanceData__set>, 'modified': <built-in function PyPot_modified_set>, 'registeredSimulations': <built-in function PyPot_registeredSimulations_set>}
__weakref__ = <attribute '__weakref__' of 'PyPot' objects>
list of weak references to the object (if defined)

 
class PyPot_LetterClass(__builtin__.object)
     Methods defined here:
__del__(self, destroy=<built-in function delete_PyPot_LetterClass>)
__getattr__ lambda self, name
__init__(self, *args)
__repr__(self)
__setattr__ lambda self, name, value
help(*args)
numRestraints(*args)
pythonPot(*args)
rms(*args)
violations(*args)
Data and other attributes defined here:
__dict__ = <dictproxy object at 0x12dee50>
dictionary for instance variables (if defined)
__swig_getmethods__ = {}
__swig_setmethods__ = {}
__weakref__ = <attribute '__weakref__' of 'PyPot_LetterClass' objects>
list of weak references to the object (if defined)

 
class PyPot_LetterClassPtr(PyPot_LetterClass)
    
Method resolution order:
PyPot_LetterClassPtr
PyPot_LetterClass
__builtin__.object
Methods defined here:
__init__(self, this)
Methods inherited from PyPot_LetterClass:
__del__(self, destroy=<built-in function delete_PyPot_LetterClass>)
__getattr__ lambda self, name
__repr__(self)
__setattr__ lambda self, name, value
help(*args)
numRestraints(*args)
pythonPot(*args)
rms(*args)
violations(*args)
Data and other attributes inherited from PyPot_LetterClass:
__dict__ = <dictproxy object at 0x12ded70>
dictionary for instance variables (if defined)
__swig_getmethods__ = {}
__swig_setmethods__ = {}
__weakref__ = <attribute '__weakref__' of 'PyPot_LetterClass' objects>
list of weak references to the object (if defined)

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