An ordered collection of Pot objects - which is itself a Pot object. 
 
An instantiated object will act like a Python Sequence- it is iterable,
indexable (by position number, and by instance name), and the len()
builtin works as expected.
 
Constructor:
  PotList(NAME) 
   NAME is a name given to this instance of the PotList class.
 
Methods:
 
  only the standard potential terms exist:
 
  potName()      - returns 'PotList'
  instanceName() - returns NAME given in the constructor
 
  scale()/ setScale(scaleFac) 
                 - get/set a scale factor for this term
                   NOTE: this is independent of scalings set within
                        the XPLOR interface.
 
  calcEnergy()                   - calc energy without and with gradient
  calcEnergyAndDerivs(DerivList) -   evaluation. Return the value of energy
                                 - these calculate and sum energy of each term
                                 - in the list.
 
  energyReports()      - return a list of energyReport.EnergyReports for 
                         each term. This list is sorted by the instanceNames
                         of each term.
 
  clearEnergyReports() - clear the EnergyReport list.
 
  violations()         - report the sum of all violations
  rms()                - report the average rmsd. If the PotList consists of 
                         term which are all the same type, and which contain
                         restraints, the returned value R is computed as
                         
                             R^2 = sum_i N_i * w_i * R_i^2 / (sum_i N_i * w_i)
 
                         where for term i, R_i is rms(), w_i is scale(), N_i is
                         numRestraints(). If the terms are of the same type, 
                         but don't have a meaningful concept of restraint 
                         (numRestraints()==-1), then N_i is set to 1 in the 
                         above equation. If all terms return rms=-1, then 
                         return rms, else skip those terms which have 
                         negative rms
  numRestraints()      - return the sum of the values of numRestraints() for
                         all included potential terms, for positive values of
                         numRestraints.
 
  append(pot)          - add a new term to the end of the list.
  remove(name)         - remove the term with the given name.
  removeAll()          - remove all terms.
  makeCopy(name="")    - return a copy of this PotList, with the argument
                         giving the instanceName of the new term. If name is
                         omitted, the name will be instanceName()+"_copy".
 
  byName(instanceName) - return the potential term specified.
 
  keys()               - return a list of instanceNames of all potential
                         terms in the list.
 
  ensWeights()    - ensemble weights. Not directly used in any computations.
  setEnsWeights() - set ensemble weights for all contain potential terms. 
 
  isParallel()             - if True, run all the energy terms in parallel,
  setIsParallel(val=False)   using OpenMP. This requires thread-safe
                             behavior of all the contained energy terms, and
                             currently no term is tested to work correctly.
 
 
 
# This file was automatically generated by SWIG (http://www.swig.org).
# Version 4.0.2
#
# Do not make changes to this file unless you know what you are doing--modify
# the SWIG interface file instead.

Classes
		builtins.object CDSList_rc_Pot Modified ModifiedBase PotList_LetterClass rc_Pot PotList rc_ptr_Pot   class CDSList_rc_Pot(builtins.object)     CDSList_rc_Pot(*args)       Methods defined here: __delitem__(self, *args, **kwargs) -> 'void' __getitem__(self, *args) -> 'CDSList< rc_Pot >' __getslice__(self, *args, **kwargs) -> 'CDSList< rc_Pot >' __init__(self, *args) Initialize self.  See help(type(self)) for accurate signature. __len__(self, *args, **kwargs) -> 'int' __repr__ = _swig_repr(self) __setitem__(self, *args, **kwargs) -> 'void' append(self, *args, **kwargs) -> 'void' help(self, *args, **kwargs) -> 'String' remove(self, *args, **kwargs) -> 'void' removeAll(self, *args, **kwargs) -> 'void' Static methods defined here: __swig_destroy__ = delete_CDSList_rc_Pot(...) Data descriptors defined here: __dict__   dictionary for instance variables (if defined) __weakref__   list of weak references to the object (if defined) thisown   The membership flag   class Modified(builtins.object)     Modified(*args, **kwargs)       Methods defined here: __call__(self, *args, **kwargs) -> 'int' Call self as a function. __init__(self, *args, **kwargs) Initialize self.  See help(type(self)) for accurate signature. __repr__ = _swig_repr(self) asString(self, *args, **kwargs) -> 'String' assertClear(self, *args, **kwargs) -> 'void' clear(self, *args, **kwargs) -> 'void' set(self, *args, **kwargs) -> 'void' update(self, *args, **kwargs) -> 'void' value(self, *args, **kwargs) -> 'int' Static methods defined here: __swig_destroy__ = delete_Modified(...) Data descriptors defined here: __dict__   dictionary for instance variables (if defined) __weakref__   list of weak references to the object (if defined) thisown   The membership flag Data and other attributes defined here: MOD_SELF = 1 MOD_SIMULATION = 2   class ModifiedBase(builtins.object)     ModifiedBase(*args, **kwargs)       Methods defined here: __init__(self, *args, **kwargs) Initialize self.  See help(type(self)) for accurate signature. __repr__ = _swig_repr(self) registerTo(self, *args, **kwargs) -> 'void' unRegister(self, *args, **kwargs) -> 'void' updateValues(self, *args, **kwargs) -> 'void' Static methods defined here: __swig_destroy__ = delete_ModifiedBase(...) Data descriptors defined here: __dict__   dictionary for instance variables (if defined) __weakref__   list of weak references to the object (if defined) modified   registeredSimulations   thisown   The membership flag   class PotList_LetterClass(builtins.object)     PotList_LetterClass(*args, **kwargs)       Methods defined here: __getitem__(self, cnt) __getslice__(self, *args, **kwargs) -> 'PotList' __init__(self, *args, **kwargs) Initialize self.  See help(type(self)) for accurate signature. __len__(self, *args, **kwargs) -> 'int' __repr__ = _swig_repr(self) add(self, pot) addEnergyReport(self, *args, **kwargs) -> 'void' append(self, pot) byName(self, *args, **kwargs) -> 'rc_Pot' calcEnergy(self, *args, **kwargs) -> 'float_type' calcEnergyAndDerivs(self, *args, **kwargs) -> 'float_type' clearEnergyReports(self, *args, **kwargs) -> 'void' copy(self, potList) energyMaybeDerivs0(self, *args, **kwargs) -> 'float_type' energyMaybeDerivs1(self, *args, **kwargs) -> 'float_type' energyMaybeDerivs2(self, *args, **kwargs) -> 'float_type' energyMaybeDerivs3(self, *args, **kwargs) -> 'float_type' energyMaybeDerivs4(self, *args, **kwargs) -> 'float_type' energyMaybeDerivsPost(self, *args, **kwargs) -> 'float_type' energyMaybeDerivsPre(self, *args, **kwargs) -> 'float_type' energyReports(self, *args, **kwargs) -> 'CDSList< EnergyReport >' getitem_int(self, *args, **kwargs) -> 'rc_Pot' getitem_string(self, *args, **kwargs) -> 'rc_Pot' isParallel(self, *args, **kwargs) -> 'bool const' keys(self) list(self, *args, **kwargs) -> 'CDSList< rc_Pot >' makeCopy(self, *args) numRestraints(self, *args, **kwargs) -> 'int' pyXplorHelp(self, *args, **kwargs) -> 'String' remove(self, name) removeAll(self, *args, **kwargs) -> 'void' renamed_add(self, *args, **kwargs) -> 'void' renamed_makeCopy(self, *args, **kwargs) -> 'rc_DerivedPot< PotList >' renamed_remove(self, *args, **kwargs) -> 'void' rms(self, *args, **kwargs) -> 'float_type' setEnsWeights(self, *args, **kwargs) -> 'void' setIsParallel(self, *args, **kwargs) -> 'void' showReport(self, *args, **kwargs) -> 'String' size(self, *args, **kwargs) -> 'int' updateDelta(self, *args, **kwargs) -> 'void' violations(self, *args, **kwargs) -> 'float_type' Static methods defined here: __swig_destroy__ = delete_PotList_LetterClass(...) Data descriptors defined here: __dict__   dictionary for instance variables (if defined) __weakref__   list of weak references to the object (if defined) thisown   The membership flag Data and other attributes defined here: noViolationStats = True   class rc_Pot(builtins.object)     rc_Pot(*args, **kwargs)       Methods defined here: __init__(self, *args, **kwargs) Initialize self.  See help(type(self)) for accurate signature. __repr__ = _swig_repr(self) calcEnergy(self, *args, **kwargs) -> 'float_type' calcEnergyAndDerivs(self, *args, **kwargs) -> 'float_type' instanceData(self, *args, **kwargs) -> 'PyObject *' instanceName(self, *args, **kwargs) -> 'String' potName(self, *args, **kwargs) -> 'String' scale(self, *args, **kwargs) -> 'float_type' setScale(self, *args, **kwargs) -> 'void' Static methods defined here: __swig_destroy__ = delete_rc_Pot(...) Data descriptors defined here: __dict__   dictionary for instance variables (if defined) __weakref__   list of weak references to the object (if defined) thisown   The membership flag   class rc_ptr_Pot(builtins.object)     rc_ptr_Pot(*args)       Methods defined here: __deref__(self, *args, **kwargs) -> 'Pot *' __init__(self, *args) Initialize self.  See help(type(self)) for accurate signature. __ref__(self, *args, **kwargs) -> 'Pot &' __repr__ = _swig_repr(self) calcEnergy(self, *args, **kwargs) -> 'float_type' calcEnergyAndDerivs(self, *args, **kwargs) -> 'float_type' count(self, *args, **kwargs) -> 'int' decr(self, *args, **kwargs) -> 'void' forceDelete(self, *args, **kwargs) -> 'void' incr(self, *args, **kwargs) -> 'void' instanceName(self, *args, **kwargs) -> 'char const *' numRestraints(self, *args, **kwargs) -> 'int' potName(self, *args, **kwargs) -> 'char const *' ptr(self, *args, **kwargs) -> 'Pot *' registerTo(self, *args, **kwargs) -> 'void' release(self, *args, **kwargs) -> 'Pot *' reset(self, *args, **kwargs) -> 'void' resetInstanceName(self, *args, **kwargs) -> 'void' resetPotName(self, *args, **kwargs) -> 'void' rms(self, *args, **kwargs) -> 'float_type' scale(self, *args, **kwargs) -> 'float_type const' setScale(self, *args, **kwargs) -> 'void' setThreshold(self, *args, **kwargs) -> 'void' threshold(self, *args, **kwargs) -> 'float_type const' unRegister(self, *args, **kwargs) -> 'void' updateDelta(self, *args, **kwargs) -> 'void' updateValues(self, *args, **kwargs) -> 'void' violations(self, *args, **kwargs) -> 'float_type' Static methods defined here: __swig_destroy__ = delete_rc_ptr_Pot(...) Data descriptors defined here: __dict__   dictionary for instance variables (if defined) __weakref__   list of weak references to the object (if defined) instanceDataCleanup   instanceDataCreate   instanceData_   modified   registeredSimulations   thisown   The membership flag   realPotList = class PotList(rc_Pot)     realPotList(*args)       Method resolution order: PotList rc_Pot builtins.object Methods defined here: __deref__(self, *args, **kwargs) -> 'PotList *' __getitem__(self, cnt) __getslice__(self, *args, **kwargs) -> 'PotList' __init__(self, *args) __len__(self, *args, **kwargs) -> 'int' __oldinit__ = __init__(self, *args, **kwargs) __ref__(self, *args, **kwargs) -> 'PotList &' __repr__ = _swig_repr(self) add(self, pot) addEnergyReport(self, *args, **kwargs) -> 'void' addEnsWeights(self, *args, **kwargs) -> 'void' append(self, pot) byName(self, *args, **kwargs) -> 'rc_Pot' calcWDerivs(self, *args, **kwargs) -> 'bool const' clearEnergyReports(self, *args, **kwargs) -> 'void' clearEnsWeights(self, *args, **kwargs) -> 'void' copy(self, potList) decrRefCnt(self, *args, **kwargs) -> 'void' energyMaybeDerivs0(self, *args, **kwargs) -> 'float_type' energyMaybeDerivs1(self, *args, **kwargs) -> 'float_type' energyMaybeDerivs2(self, *args, **kwargs) -> 'float_type' energyMaybeDerivs3(self, *args, **kwargs) -> 'float_type' energyMaybeDerivs4(self, *args, **kwargs) -> 'float_type' energyMaybeDerivsPost(self, *args, **kwargs) -> 'float_type' energyMaybeDerivsPre(self, *args, **kwargs) -> 'float_type' energyReports(self, *args, **kwargs) -> 'CDSList< EnergyReport >' ensWeight(self, *args, **kwargs) -> 'float_type' ensWeights(self, *args, **kwargs) -> 'CDSList< float_type >' ensWeightsInfo(self, *args, **kwargs) -> 'String' getEnsWeights(self, *args, **kwargs) -> 'CDSList< VarEnsWeights > &' getitem_int(self, *args, **kwargs) -> 'rc_Pot' getitem_string(self, *args, **kwargs) -> 'rc_Pot' incrRefCnt(self, *args, **kwargs) -> 'void' instanceData(self, *args, **kwargs) -> 'PyObject *' isParallel(self, *args, **kwargs) -> 'bool const' keys(self) list(self, *args, **kwargs) -> 'CDSList< rc_Pot >' makeCopy(self, *args) numRestraints(self, *args, **kwargs) -> 'int' pyXplorHelp(self, *args, **kwargs) -> 'String' refCnt(self, *args, **kwargs) -> 'int' registerInstanceData(self, *args, **kwargs) -> 'void' registerTo(self, *args, **kwargs) -> 'void' remove(self, name) removeAll(self, *args, **kwargs) -> 'void' renamed_add(self, *args, **kwargs) -> 'void' renamed_makeCopy(self, *args, **kwargs) -> 'rc_DerivedPot< PotList >' renamed_remove(self, *args, **kwargs) -> 'void' resetInstanceName(self, *args, **kwargs) -> 'void' resetPotName(self, *args, **kwargs) -> 'void' rms(self, *args, **kwargs) -> 'float_type' setCalcWDerivs(self, *args, **kwargs) -> 'void' setEnsWeights(self, *args, **kwargs) -> 'void' setIsParallel(self, *args, **kwargs) -> 'void' setThreshold(self, *args, **kwargs) -> 'void' setUseSimEnsWeights(self, *args, **kwargs) -> 'void' showReport(self, *args, **kwargs) -> 'String' simulation(self, *args) -> 'EnsembleSimulationBase const *' size(self, *args, **kwargs) -> 'int' threshold(self, *args, **kwargs) -> 'float_type const' unRegister(self, *args, **kwargs) -> 'void' updateDelta(self, *args, **kwargs) -> 'void' updateEnsWeights(self, *args, **kwargs) -> 'void' updateValues(self, *args, **kwargs) -> 'void' useSimEnsWeights(self, *args, **kwargs) -> 'bool const' violations(self, *args, **kwargs) -> 'float_type' Static methods defined here: __swig_destroy__ = delete_PotList(...) Data descriptors defined here: instanceDataCleanup   instanceDataCreate   instanceData_   modified   registeredSimulations   thisown   The membership flag Data and other attributes defined here: noViolationStats = True Methods inherited from rc_Pot: calcEnergy(self, *args, **kwargs) -> 'float_type' calcEnergyAndDerivs(self, *args, **kwargs) -> 'float_type' instanceName(self, *args, **kwargs) -> 'String' potName(self, *args, **kwargs) -> 'String' scale(self, *args, **kwargs) -> 'float_type' setScale(self, *args, **kwargs) -> 'void' Data descriptors inherited from rc_Pot: __dict__   dictionary for instance variables (if defined) __weakref__   list of weak references to the object (if defined)

Functions
		PotList(*args) pyXplorHelp(*args) -> 'String'