J-Coupling Potential term
 
Constructor:
  JCoupPot(instanceName ,
           restraints   ,
           simulation   )  - creates a potential term with the given name.
                             restraints is a string which contains a restraint
                             table (defaults to an empty string).
                             simulation defaults to 
                             simulation.currentSimulation.
 
Methods:
  calcEnergy()                    - calcs energy
  calcEnergyAndDerivs(DerivList)  - calcs energy and derivative info
    note that these routines also update all other potential-specific data.
 
  addRestraints(restraints)- add entries to the restraint table.
 
  ensWeigth(index) - return the ensemble weight associated with the
                     specified member.
  setEnsWeights(vals) - use the specified ensemble weights instead of those
                        in the underlying EnsembleSimulation.
Read-Write Accessors:
  A         - coefficient of cos^2 term (see formula below).
  B         - coefficient of cos term (see formula below).
  C         - constant term (see formula below).
  phase     - phase in j-coupling formula (see formula below).
  potType   - potential type: 'harmonic' or 'square' [harmonic].
  verbose   - if true, sporadically spit out info [False]
  threshold - threshold in violation calculation ( defaults to 0).
  showAllRestraints - boolean which changes the behavior of showViolations. If 
                      this parameter is set to True, the behavior of
                      showViolations is modified such that all restraints are
                      printed. Violated restraints are indicated by an
                      asterisk in the first column. [1]
  useSimEnsWeight - whether to use the ensemble wieghts set with setEnsWeights
                    or to use those of the underlying EnsembleSimulation.
 
Read-only accessors:
 
  violations()    - return number of violations. Defined in terms of jDiff_i.
  rms()           - return rms of jDiff_i
  numRestraints() - the number of restraints defined for this term.
  deviation()     - ensemble deviation of jCalc-jObs averaged over all 
                    restraints
 
  simulation()    - simulation used by this shape term. Is an EnsembleSimulation.
 
  info()                   - return string synopsis of potential info.
  showRestraints(violated) - return pretty-printed restraint info.
  showViolations()         - return pretty-printed violation info.
 
 
The potential term is defined as
 
  E = scale() * sum_i jDiff_i^2
 
where
   jDiff = jCalc - jDiff  if potType=='harmonic'
 
   if potType=='square, jDiff is
       jCalc-jObs-jPlus    if jCalc-jObs>jPlus
       jCalc-jObs+jMinus   if jCalc-jObs<-jMinus
             0             otherwise
 
  jObs is the observed j-coupling value.
  jCalc is the ensemble-average calulated j-coupling value:
 
      jCalc = A*cos(phi+phase)^2 + B*cos(phi+phase) + C
 
    where the constants A,B,C, and phase are inputs, and phi is the dihedral
    angle as specified in the assignment table.
 
 
The j-coupling assignment table consists of entries of the following form
 
ASSIgn  (sel1) (sel2) (sel3) (sel4) jObs jMinus [jPlus]
 
where the four single atom selections specify the dihedral angle. jMinus
and jPlus specify the range of the square potential, with jPlus defaulting
to jMinus if it is omitted.
 
 
Note that the degenerate assignments of the XPLOR COUP term are not
implemented here yet.
 
 
 
# This file was automatically generated by SWIG (http://www.swig.org).
# Version 1.3.40
#
# Do not make changes to this file unless you know what you are doing--modify
# the SWIG interface file instead.
# This file is compatible with both classic and new-style classes.

Classes
		__builtin__.object CDSList_JCoup_Restraint CDSList_JCoup_RestraintPtr JCoupPot JCoupPotPtr JCoupPot_LetterClass JCoupPot_LetterClassPtr Modified ModifiedPtr ModifiedBase ModifiedBasePtr Restraint_JCoupPot JCoup_Restraint JCoup_RestraintPtr Restraint_JCoupPotPtr rc_ptr_JCoup_Restraint rc_ptr_JCoup_RestraintPtr   class CDSList_JCoup_Restraint(__builtin__.object)           Methods defined here: __del__ lambda self   __delitem__(self, *args, **kwargs)   __getattr__ lambda self, name   __getitem__(self, *args, **kwargs)   __getslice__(self, *args, **kwargs)   __init__(self, *args)   __len__(self, *args, **kwargs)   __repr__ = _swig_repr(self)   __setattr__ lambda self, name, value   __setitem__(self, *args, **kwargs)   append(self, *args, **kwargs)   help(self, *args, **kwargs)   remove(self, *args, **kwargs)   removeAll(self, *args, **kwargs)   Data and other attributes defined here: __dict__ = dict_proxy({'__swig_getmethods__': {}, '__module...one, '__len__': <function __len__ at 0x33b4410>})   dictionary for instance variables (if defined) __swig_destroy__ = <built-in function delete_CDSList_JCoup_Restraint>   __swig_getmethods__ = {} __swig_setmethods__ = {} __weakref__ = <attribute '__weakref__' of 'CDSList_JCoup_Restraint' objects>   list of weak references to the object (if defined)   class CDSList_JCoup_RestraintPtr(CDSList_JCoup_Restraint)           Method resolution order: CDSList_JCoup_RestraintPtr CDSList_JCoup_Restraint __builtin__.object Methods defined here: __init__(self, this)   Methods inherited from CDSList_JCoup_Restraint: __del__ lambda self   __delitem__(self, *args, **kwargs)   __getattr__ lambda self, name   __getitem__(self, *args, **kwargs)   __getslice__(self, *args, **kwargs)   __len__(self, *args, **kwargs)   __repr__ = _swig_repr(self)   __setattr__ lambda self, name, value   __setitem__(self, *args, **kwargs)   append(self, *args, **kwargs)   help(self, *args, **kwargs)   remove(self, *args, **kwargs)   removeAll(self, *args, **kwargs)   Data and other attributes inherited from CDSList_JCoup_Restraint: __dict__ = dict_proxy({'__module__': 'jCoupPot', '__doc__':...e, '__init__': <function __init__ at 0x33b4938>})   dictionary for instance variables (if defined) __swig_destroy__ = <built-in function delete_CDSList_JCoup_Restraint>   __swig_getmethods__ = {} __swig_setmethods__ = {} __weakref__ = <attribute '__weakref__' of 'CDSList_JCoup_Restraint' objects>   list of weak references to the object (if defined)   class JCoupPotPtr(JCoupPot)           Method resolution order: JCoupPotPtr JCoupPot __builtin__.object Methods defined here: __init__(self, this)   Methods inherited from JCoupPot: A(self, *args, **kwargs)   B(self, *args, **kwargs)   C(self, *args, **kwargs)   __del__ lambda self   __deref__(self, *args, **kwargs)   __getattr__ lambda self, name   __oldinit__ = __init__(self, *args)   __ref__(self, *args, **kwargs)   __repr__ = _swig_repr(self)   __setattr__ lambda self, name, value   #this next bit may be specific to a swig version (works w/ 1.3.40) addRestraints(self, *args, **kwargs)   calcEnergy(self, *args, **kwargs)   calcEnergyAndDerivs(self, *args, **kwargs)   decrRefCnt(self, *args, **kwargs)   deviation(self, *args, **kwargs)   energyMaybeDerivs0(self, *args, **kwargs)   energyMaybeDerivs1(self, *args, **kwargs)   energyMaybeDerivs2(self, *args, **kwargs)   energyMaybeDerivs3(self, *args, **kwargs)   energyMaybeDerivs4(self, *args, **kwargs)   ensWeight(self, *args, **kwargs)   ensWeights(self, *args, **kwargs)   help(self, *args, **kwargs)   incrRefCnt(self, *args, **kwargs)   info(self, *args, **kwargs)   instanceData(self, *args, **kwargs)   instanceName(self, *args, **kwargs)   numRestraints(self, *args, **kwargs)   phase(self, *args, **kwargs)   potName(self, *args, **kwargs)   potType(self, *args, **kwargs)   refCnt(self, *args, **kwargs)   registerInstanceData(self, *args, **kwargs)   registerTo(self, *args, **kwargs)   resetPotName(self, *args, **kwargs)   restraints(self, *args, **kwargs)   rms(self, *args, **kwargs)   scale(self, *args, **kwargs)   setA(self, *args, **kwargs)   setB(self, *args, **kwargs)   setC(self, *args, **kwargs)   setEnsWeights(self, *args, **kwargs)   setPhase(self, *args, **kwargs)   setPotType(self, *args, **kwargs)   setScale(self, *args, **kwargs)   setShowAllRestraints(self, *args, **kwargs)   setThreshold(self, *args, **kwargs)   setUseSimEnsWeights(self, *args, **kwargs)   setVerbose(self, *args, **kwargs)   showAllRestraints(self, *args, **kwargs)   showRestraints(self, *args, **kwargs)   showViolations(self, *args, **kwargs)   simulation(self, *args)   threshold(self, *args, **kwargs)   unRegister(self, *args, **kwargs)   updateDelta(self, *args, **kwargs)   updateValues(self, *args, **kwargs)   useSimEnsWeights(self, *args, **kwargs)   verbose(self, *args, **kwargs)   violations(self, *args, **kwargs)   Properties inherited from JCoupPot: instanceDataCleanup   get = JCoupPot_instanceDataCleanup_get(...)   set = JCoupPot_instanceDataCleanup_set(...)   instanceDataCreate   get = JCoupPot_instanceDataCreate_get(...)   set = JCoupPot_instanceDataCreate_set(...)   instanceData_   get = JCoupPot_instanceData__get(...)   set = JCoupPot_instanceData__set(...)   modified   get = JCoupPot_modified_get(...)   set = JCoupPot_modified_set(...)   phaseInRadians   get = JCoupPot_phaseInRadians_get(...)   set = JCoupPot_phaseInRadians_set(...)   registeredSimulations   get = JCoupPot_registeredSimulations_get(...)   set = JCoupPot_registeredSimulations_set(...)   Data and other attributes inherited from JCoupPot: __dict__ = dict_proxy({'__module__': 'jCoupPot', '__doc__':...e, '__init__': <function __init__ at 0x33b0e60>})   dictionary for instance variables (if defined) __swig_destroy__ = <built-in function delete_JCoupPot>   __swig_getmethods__ = {'instanceDataCleanup': <built-in function JCoupPot_instanceDataCleanup_get>, 'instanceDataCreate': <built-in function JCoupPot_instanceDataCreate_get>, 'instanceData_': <built-in function JCoupPot_instanceData__get>, 'modified': <built-in function JCoupPot_modified_get>, 'phaseInRadians': <built-in function JCoupPot_phaseInRadians_get>, 'registeredSimulations': <built-in function JCoupPot_registeredSimulations_get>} __swig_setmethods__ = {'instanceDataCleanup': <built-in function JCoupPot_instanceDataCleanup_set>, 'instanceDataCreate': <built-in function JCoupPot_instanceDataCreate_set>, 'instanceData_': <built-in function JCoupPot_instanceData__set>, 'modified': <built-in function JCoupPot_modified_set>, 'phaseInRadians': <built-in function JCoupPot_phaseInRadians_set>, 'registeredSimulations': <built-in function JCoupPot_registeredSimulations_set>} __weakref__ = <attribute '__weakref__' of 'JCoupPot' objects>   list of weak references to the object (if defined)   class JCoupPot_LetterClass(__builtin__.object)           Methods defined here: A(self, *args, **kwargs)   B(self, *args, **kwargs)   C(self, *args, **kwargs)   __del__ lambda self   __getattr__ lambda self, name   __init__(self, *args, **kwargs)   __repr__ = _swig_repr(self)   __setattr__ lambda self, name, value   addRestraints(self, *args, **kwargs)   deviation(self, *args, **kwargs)   energyMaybeDerivs0(self, *args, **kwargs)   energyMaybeDerivs1(self, *args, **kwargs)   energyMaybeDerivs2(self, *args, **kwargs)   help(self, *args, **kwargs)   info(self, *args, **kwargs)   numRestraints(self, *args, **kwargs)   phase(self, *args, **kwargs)   potType(self, *args, **kwargs)   restraints(self, *args, **kwargs)   rms(self, *args, **kwargs)   setA(self, *args, **kwargs)   setB(self, *args, **kwargs)   setC(self, *args, **kwargs)   setPhase(self, *args, **kwargs)   setPotType(self, *args, **kwargs)   setShowAllRestraints(self, *args, **kwargs)   setVerbose(self, *args, **kwargs)   showAllRestraints(self, *args, **kwargs)   showRestraints(self, *args, **kwargs)   showViolations(self, *args, **kwargs)   verbose(self, *args, **kwargs)   violations(self, *args, **kwargs)   Properties defined here: phaseInRadians   get = JCoupPot_LetterClass_phaseInRadians_get(...)   set = JCoupPot_LetterClass_phaseInRadians_set(...)   Data and other attributes defined here: HARMONIC = 0 SQUARE = 1 __dict__ = dict_proxy({'__swig_getmethods__': {'phaseInRadi...traints': <function addRestraints at 0x33b15f0>})   dictionary for instance variables (if defined) __swig_destroy__ = <built-in function delete_JCoupPot_LetterClass>   __swig_getmethods__ = {'phaseInRadians': <built-in function JCoupPot_LetterClass_phaseInRadians_get>} __swig_setmethods__ = {'phaseInRadians': <built-in function JCoupPot_LetterClass_phaseInRadians_set>} __weakref__ = <attribute '__weakref__' of 'JCoupPot_LetterClass' objects>   list of weak references to the object (if defined)   class JCoupPot_LetterClassPtr(JCoupPot_LetterClass)           Method resolution order: JCoupPot_LetterClassPtr JCoupPot_LetterClass __builtin__.object Methods defined here: __init__(self, this)   Methods inherited from JCoupPot_LetterClass: A(self, *args, **kwargs)   B(self, *args, **kwargs)   C(self, *args, **kwargs)   __del__ lambda self   __getattr__ lambda self, name   __repr__ = _swig_repr(self)   __setattr__ lambda self, name, value   addRestraints(self, *args, **kwargs)   deviation(self, *args, **kwargs)   energyMaybeDerivs0(self, *args, **kwargs)   energyMaybeDerivs1(self, *args, **kwargs)   energyMaybeDerivs2(self, *args, **kwargs)   help(self, *args, **kwargs)   info(self, *args, **kwargs)   numRestraints(self, *args, **kwargs)   phase(self, *args, **kwargs)   potType(self, *args, **kwargs)   restraints(self, *args, **kwargs)   rms(self, *args, **kwargs)   setA(self, *args, **kwargs)   setB(self, *args, **kwargs)   setC(self, *args, **kwargs)   setPhase(self, *args, **kwargs)   setPotType(self, *args, **kwargs)   setShowAllRestraints(self, *args, **kwargs)   setVerbose(self, *args, **kwargs)   showAllRestraints(self, *args, **kwargs)   showRestraints(self, *args, **kwargs)   showViolations(self, *args, **kwargs)   verbose(self, *args, **kwargs)   violations(self, *args, **kwargs)   Properties inherited from JCoupPot_LetterClass: phaseInRadians   get = JCoupPot_LetterClass_phaseInRadians_get(...)   set = JCoupPot_LetterClass_phaseInRadians_set(...)   Data and other attributes inherited from JCoupPot_LetterClass: HARMONIC = 0 SQUARE = 1 __dict__ = dict_proxy({'__module__': 'jCoupPot', '__doc__':...e, '__init__': <function __init__ at 0x33b2320>})   dictionary for instance variables (if defined) __swig_destroy__ = <built-in function delete_JCoupPot_LetterClass>   __swig_getmethods__ = {'phaseInRadians': <built-in function JCoupPot_LetterClass_phaseInRadians_get>} __swig_setmethods__ = {'phaseInRadians': <built-in function JCoupPot_LetterClass_phaseInRadians_set>} __weakref__ = <attribute '__weakref__' of 'JCoupPot_LetterClass' objects>   list of weak references to the object (if defined)   class JCoup_Restraint(Restraint_JCoupPot)           Method resolution order: JCoup_Restraint Restraint_JCoupPot __builtin__.object Methods defined here: __del__ lambda self   __getattr__ lambda self, name   __init__(self, *args, **kwargs)   __repr__ = _swig_repr(self)   __setattr__ lambda self, name, value   calcContrib(self, *args, **kwargs)   deriv(self, *args, **kwargs)   energy(self, *args, **kwargs)   name(self, *args, **kwargs)   ok(self, *args, **kwargs)   Properties defined here: contrib   get = JCoup_Restraint_contrib_get(...)   set = JCoup_Restraint_contrib_set(...)   verbose   get = JCoup_Restraint_verbose_get(...)   set = JCoup_Restraint_verbose_set(...)   Data and other attributes defined here: __swig_destroy__ = <built-in function delete_JCoup_Restraint>   __swig_getmethods__ = {'contrib': <built-in function JCoup_Restraint_contrib_get>, 'verbose': <built-in function JCoup_Restraint_verbose_get>} __swig_setmethods__ = {'contrib': <built-in function JCoup_Restraint_contrib_set>, 'verbose': <built-in function JCoup_Restraint_verbose_set>} Methods inherited from Restraint_JCoupPot: diff(self, *args, **kwargs)   setName(self, *args, **kwargs)   violated(self, *args, **kwargs)   Data and other attributes inherited from Restraint_JCoupPot: __dict__ = dict_proxy({'__swig_getmethods__': {'contrib': <...lcContrib': <function calcContrib at 0x33b25f0>})   dictionary for instance variables (if defined) __weakref__ = <attribute '__weakref__' of 'Restraint_JCoupPot' objects>   list of weak references to the object (if defined)   class JCoup_RestraintPtr(JCoup_Restraint)           Method resolution order: JCoup_RestraintPtr JCoup_Restraint Restraint_JCoupPot __builtin__.object Methods defined here: __init__(self, this)   Methods inherited from JCoup_Restraint: __del__ lambda self   __getattr__ lambda self, name   __repr__ = _swig_repr(self)   __setattr__ lambda self, name, value   calcContrib(self, *args, **kwargs)   deriv(self, *args, **kwargs)   energy(self, *args, **kwargs)   name(self, *args, **kwargs)   ok(self, *args, **kwargs)   Properties inherited from JCoup_Restraint: contrib   get = JCoup_Restraint_contrib_get(...)   set = JCoup_Restraint_contrib_set(...)   verbose   get = JCoup_Restraint_verbose_get(...)   set = JCoup_Restraint_verbose_set(...)   Data and other attributes inherited from JCoup_Restraint: __swig_destroy__ = <built-in function delete_JCoup_Restraint>   __swig_getmethods__ = {'contrib': <built-in function JCoup_Restraint_contrib_get>, 'verbose': <built-in function JCoup_Restraint_verbose_get>} __swig_setmethods__ = {'contrib': <built-in function JCoup_Restraint_contrib_set>, 'verbose': <built-in function JCoup_Restraint_verbose_set>} Methods inherited from Restraint_JCoupPot: diff(self, *args, **kwargs)   setName(self, *args, **kwargs)   violated(self, *args, **kwargs)   Data and other attributes inherited from Restraint_JCoupPot: __dict__ = dict_proxy({'__module__': 'jCoupPot', '__doc__':...e, '__init__': <function __init__ at 0x33b27d0>})   dictionary for instance variables (if defined) __weakref__ = <attribute '__weakref__' of 'Restraint_JCoupPot' objects>   list of weak references to the object (if defined)   class Modified(__builtin__.object)           Methods defined here: __call__(self, *args, **kwargs)   __del__ lambda self   __getattr__ lambda self, name   __init__(self, *args, **kwargs)   __repr__ = _swig_repr(self)   __setattr__ lambda self, name, value   clear(self, *args, **kwargs)   set(self, *args, **kwargs)   update(self, *args, **kwargs)   value(self, *args, **kwargs)   Data and other attributes defined here: MOD_SELF = 1 MOD_SIMULATION = 2 __dict__ = dict_proxy({'__swig_getmethods__': {}, '__module...unction __call__ at 0x338bc08>, '__doc__': None})   dictionary for instance variables (if defined) __swig_destroy__ = <built-in function delete_Modified>   __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__ lambda self   __getattr__ lambda self, name   __init__(self, *args, **kwargs)   __repr__ = _swig_repr(self)   __setattr__ lambda self, name, value   registerTo(self, *args, **kwargs)   unRegister(self, *args, **kwargs)   updateValues(self, *args, **kwargs)   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__ = dict_proxy({'__swig_getmethods__': {'registeredS...e, '__init__': <function __init__ at 0x338be60>})   dictionary for instance variables (if defined) __swig_destroy__ = <built-in function delete_ModifiedBase>   __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__ lambda self   __getattr__ lambda self, name   __repr__ = _swig_repr(self)   __setattr__ lambda self, name, value   registerTo(self, *args, **kwargs)   unRegister(self, *args, **kwargs)   updateValues(self, *args, **kwargs)   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__ = dict_proxy({'__module__': 'jCoupPot', '__doc__':...e, '__init__': <function __init__ at 0x33af140>})   dictionary for instance variables (if defined) __swig_destroy__ = <built-in function delete_ModifiedBase>   __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__(self, *args, **kwargs)   __del__ lambda self   __getattr__ lambda self, name   __repr__ = _swig_repr(self)   __setattr__ lambda self, name, value   clear(self, *args, **kwargs)   set(self, *args, **kwargs)   update(self, *args, **kwargs)   value(self, *args, **kwargs)   Data and other attributes inherited from Modified: MOD_SELF = 1 MOD_SIMULATION = 2 __dict__ = dict_proxy({'__module__': 'jCoupPot', '__doc__':...e, '__init__': <function __init__ at 0x338bcf8>})   dictionary for instance variables (if defined) __swig_destroy__ = <built-in function delete_Modified>   __swig_getmethods__ = {} __swig_setmethods__ = {} __weakref__ = <attribute '__weakref__' of 'Modified' objects>   list of weak references to the object (if defined)   class Restraint_JCoupPot(__builtin__.object)           Methods defined here: __del__ lambda self   __getattr__ lambda self, name   __init__(self, *args, **kwargs)   __repr__ = _swig_repr(self)   __setattr__ lambda self, name, value   diff(self, *args, **kwargs)   name(self, *args, **kwargs)   setName(self, *args, **kwargs)   violated(self, *args, **kwargs)   Data and other attributes defined here: __dict__ = dict_proxy({'__swig_getmethods__': {}, '__module...: <built-in function delete_Restraint_JCoupPot>})   dictionary for instance variables (if defined) __swig_destroy__ = <built-in function delete_Restraint_JCoupPot>   __swig_getmethods__ = {} __swig_setmethods__ = {} __weakref__ = <attribute '__weakref__' of 'Restraint_JCoupPot' objects>   list of weak references to the object (if defined)   class Restraint_JCoupPotPtr(Restraint_JCoupPot)           Method resolution order: Restraint_JCoupPotPtr Restraint_JCoupPot __builtin__.object Methods defined here: __init__(self, this)   Methods inherited from Restraint_JCoupPot: __del__ lambda self   __getattr__ lambda self, name   __repr__ = _swig_repr(self)   __setattr__ lambda self, name, value   diff(self, *args, **kwargs)   name(self, *args, **kwargs)   setName(self, *args, **kwargs)   violated(self, *args, **kwargs)   Data and other attributes inherited from Restraint_JCoupPot: __dict__ = dict_proxy({'__module__': 'jCoupPot', '__doc__':...e, '__init__': <function __init__ at 0x33b1398>})   dictionary for instance variables (if defined) __swig_destroy__ = <built-in function delete_Restraint_JCoupPot>   __swig_getmethods__ = {} __swig_setmethods__ = {} __weakref__ = <attribute '__weakref__' of 'Restraint_JCoupPot' objects>   list of weak references to the object (if defined)   class rc_ptr_JCoup_Restraint(__builtin__.object)           Methods defined here: __del__ lambda self   __deref__(self, *args, **kwargs)   __getattr__ lambda self, name   __init__(self, *args)   __ref__(self, *args, **kwargs)   __repr__ = _swig_repr(self)   __setattr__ lambda self, name, value   calcContrib(self, *args, **kwargs)   count(self, *args, **kwargs)   decr(self, *args, **kwargs)   deriv(self, *args, **kwargs)   diff(self, *args, **kwargs)   energy(self, *args, **kwargs)   forceDelete(self, *args, **kwargs)   incr(self, *args, **kwargs)   name(self, *args, **kwargs)   ok(self, *args, **kwargs)   ptr(self, *args, **kwargs)   release(self, *args, **kwargs)   reset(self, *args, **kwargs)   setName(self, *args, **kwargs)   violated(self, *args, **kwargs)   Properties defined here: contrib   get = rc_ptr_JCoup_Restraint_contrib_get(...)   set = rc_ptr_JCoup_Restraint_contrib_set(...)   verbose   get = rc_ptr_JCoup_Restraint_verbose_get(...)   set = rc_ptr_JCoup_Restraint_verbose_set(...)   Data and other attributes defined here: __dict__ = dict_proxy({'__swig_getmethods__': {'contrib': <... '__repr__': <function _swig_repr at 0x338b578>})   dictionary for instance variables (if defined) __swig_destroy__ = <built-in function delete_rc_ptr_JCoup_Restraint>   __swig_getmethods__ = {'contrib': <built-in function rc_ptr_JCoup_Restraint_contrib_get>, 'verbose': <built-in function rc_ptr_JCoup_Restraint_verbose_get>} __swig_setmethods__ = {'contrib': <built-in function rc_ptr_JCoup_Restraint_contrib_set>, 'verbose': <built-in function rc_ptr_JCoup_Restraint_verbose_set>} __weakref__ = <attribute '__weakref__' of 'rc_ptr_JCoup_Restraint' objects>   list of weak references to the object (if defined)   class rc_ptr_JCoup_RestraintPtr(rc_ptr_JCoup_Restraint)           Method resolution order: rc_ptr_JCoup_RestraintPtr rc_ptr_JCoup_Restraint __builtin__.object Methods defined here: __init__(self, this)   Methods inherited from rc_ptr_JCoup_Restraint: __del__ lambda self   __deref__(self, *args, **kwargs)   __getattr__ lambda self, name   __ref__(self, *args, **kwargs)   __repr__ = _swig_repr(self)   __setattr__ lambda self, name, value   calcContrib(self, *args, **kwargs)   count(self, *args, **kwargs)   decr(self, *args, **kwargs)   deriv(self, *args, **kwargs)   diff(self, *args, **kwargs)   energy(self, *args, **kwargs)   forceDelete(self, *args, **kwargs)   incr(self, *args, **kwargs)   name(self, *args, **kwargs)   ok(self, *args, **kwargs)   ptr(self, *args, **kwargs)   release(self, *args, **kwargs)   reset(self, *args, **kwargs)   setName(self, *args, **kwargs)   violated(self, *args, **kwargs)   Properties inherited from rc_ptr_JCoup_Restraint: contrib   get = rc_ptr_JCoup_Restraint_contrib_get(...)   set = rc_ptr_JCoup_Restraint_contrib_set(...)   verbose   get = rc_ptr_JCoup_Restraint_verbose_get(...)   set = rc_ptr_JCoup_Restraint_verbose_set(...)   Data and other attributes inherited from rc_ptr_JCoup_Restraint: __dict__ = dict_proxy({'__module__': 'jCoupPot', '__doc__':...e, '__init__': <function __init__ at 0x33b42a8>})   dictionary for instance variables (if defined) __swig_destroy__ = <built-in function delete_rc_ptr_JCoup_Restraint>   __swig_getmethods__ = {'contrib': <built-in function rc_ptr_JCoup_Restraint_contrib_get>, 'verbose': <built-in function rc_ptr_JCoup_Restraint_verbose_get>} __swig_setmethods__ = {'contrib': <built-in function rc_ptr_JCoup_Restraint_contrib_set>, 'verbose': <built-in function rc_ptr_JCoup_Restraint_verbose_set>} __weakref__ = <attribute '__weakref__' of 'rc_ptr_JCoup_Restraint' objects>   list of weak references to the object (if defined)   realJCoupPot = class JCoupPot(__builtin__.object)           Methods defined here: A(self, *args, **kwargs)   B(self, *args, **kwargs)   C(self, *args, **kwargs)   __del__ lambda self   __deref__(self, *args, **kwargs)   __getattr__ lambda self, name   __init__(self, *args)   __oldinit__ = __init__(self, *args)   __ref__(self, *args, **kwargs)   __repr__ = _swig_repr(self)   __setattr__ lambda self, name, value   #this next bit may be specific to a swig version (works w/ 1.3.40) addRestraints(self, *args, **kwargs)   calcEnergy(self, *args, **kwargs)   calcEnergyAndDerivs(self, *args, **kwargs)   decrRefCnt(self, *args, **kwargs)   deviation(self, *args, **kwargs)   energyMaybeDerivs0(self, *args, **kwargs)   energyMaybeDerivs1(self, *args, **kwargs)   energyMaybeDerivs2(self, *args, **kwargs)   energyMaybeDerivs3(self, *args, **kwargs)   energyMaybeDerivs4(self, *args, **kwargs)   ensWeight(self, *args, **kwargs)   ensWeights(self, *args, **kwargs)   help(self, *args, **kwargs)   incrRefCnt(self, *args, **kwargs)   info(self, *args, **kwargs)   instanceData(self, *args, **kwargs)   instanceName(self, *args, **kwargs)   numRestraints(self, *args, **kwargs)   phase(self, *args, **kwargs)   potName(self, *args, **kwargs)   potType(self, *args, **kwargs)   refCnt(self, *args, **kwargs)   registerInstanceData(self, *args, **kwargs)   registerTo(self, *args, **kwargs)   resetPotName(self, *args, **kwargs)   restraints(self, *args, **kwargs)   rms(self, *args, **kwargs)   scale(self, *args, **kwargs)   setA(self, *args, **kwargs)   setB(self, *args, **kwargs)   setC(self, *args, **kwargs)   setEnsWeights(self, *args, **kwargs)   setPhase(self, *args, **kwargs)   setPotType(self, *args, **kwargs)   setScale(self, *args, **kwargs)   setShowAllRestraints(self, *args, **kwargs)   setThreshold(self, *args, **kwargs)   setUseSimEnsWeights(self, *args, **kwargs)   setVerbose(self, *args, **kwargs)   showAllRestraints(self, *args, **kwargs)   showRestraints(self, *args, **kwargs)   showViolations(self, *args, **kwargs)   simulation(self, *args)   threshold(self, *args, **kwargs)   unRegister(self, *args, **kwargs)   updateDelta(self, *args, **kwargs)   updateValues(self, *args, **kwargs)   useSimEnsWeights(self, *args, **kwargs)   verbose(self, *args, **kwargs)   violations(self, *args, **kwargs)   Properties defined here: instanceDataCleanup   get = JCoupPot_instanceDataCleanup_get(...)   set = JCoupPot_instanceDataCleanup_set(...)   instanceDataCreate   get = JCoupPot_instanceDataCreate_get(...)   set = JCoupPot_instanceDataCreate_set(...)   instanceData_   get = JCoupPot_instanceData__get(...)   set = JCoupPot_instanceData__set(...)   modified   get = JCoupPot_modified_get(...)   set = JCoupPot_modified_set(...)   phaseInRadians   get = JCoupPot_phaseInRadians_get(...)   set = JCoupPot_phaseInRadians_set(...)   registeredSimulations   get = JCoupPot_registeredSimulations_get(...)   set = JCoupPot_registeredSimulations_set(...)   Data and other attributes defined here: __dict__ = dict_proxy({'__swig_getmethods__': {'instanceDat...redSimulations': <property object at 0x3390c00>})   dictionary for instance variables (if defined) __swig_destroy__ = <built-in function delete_JCoupPot>   __swig_getmethods__ = {'instanceDataCleanup': <built-in function JCoupPot_instanceDataCleanup_get>, 'instanceDataCreate': <built-in function JCoupPot_instanceDataCreate_get>, 'instanceData_': <built-in function JCoupPot_instanceData__get>, 'modified': <built-in function JCoupPot_modified_get>, 'phaseInRadians': <built-in function JCoupPot_phaseInRadians_get>, 'registeredSimulations': <built-in function JCoupPot_registeredSimulations_get>} __swig_setmethods__ = {'instanceDataCleanup': <built-in function JCoupPot_instanceDataCleanup_set>, 'instanceDataCreate': <built-in function JCoupPot_instanceDataCreate_set>, 'instanceData_': <built-in function JCoupPot_instanceData__set>, 'modified': <built-in function JCoupPot_modified_set>, 'phaseInRadians': <built-in function JCoupPot_phaseInRadians_set>, 'registeredSimulations': <built-in function JCoupPot_registeredSimulations_set>} __weakref__ = <attribute '__weakref__' of 'JCoupPot' objects>   list of weak references to the object (if defined)

Functions
		CDSList_JCoup_Restraint_swigregister(...)   JCoupPot(*args)   JCoupPot_LetterClass_swigregister(...)   JCoupPot_swigregister(...)   JCoup_Restraint_swigregister(...)   ModifiedBase_swigregister(...)   Modified_swigregister(...)   Restraint_JCoupPot_swigregister(...)   help(...)   rc_ptr_JCoup_Restraint_swigregister(...)

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