nbTargetPot
index
/home/schwitrs/bzr-repo/xplor-python3/bin.Linux_x86_64/nbTargetPot.py


Potential term used to fit solvent NOEs and solvent PRES to an
empirical measure of surface accessibility as described in
 
   Yu Wang, C.D. Schwieters, N. Tjandra, ``Parameterization of
   Solvent-Protein Interaction and Its Use on NMR Protein
   Structure Determination,'' J. Magn. Res. 221, 76-84 (2012).
 
Please use nbTargetPotTools.create_NBTargetPot to instantiate
instances of this potential term.
 
 
Constructor:
  NBTargetPot(instanceName,
              selection   ) 
 
  instanceName is a user-specified identifier
  selection is a atomSel.AtomSel object specifying the atoms to include
  when calculating sums- see below for details.
 
methods:
 
  calcEnergy()
 
  addRestraints(str) - add restraints specified in the input string
 
  rms()            - rmsd of this term
  correlation()    - correlation of calculated to target values.
  deviation()      - ensemble deviation of the restraints
  violations()     - number of restraints violated
  numRestraints()  - total number of restraints
 
 
  selection()      - atom selection specified when the term was created
  simulation()     - associated simulation.Simulation
 
  info()           - information on the term
  showViolations() - return a string which info on violated restraints.
                     if showAllRestraints()=True, info on all restraints is 
                     returned.
 
  restraints()     - return a sequence of Restraint objects.
 
 The following parameters can be set [defaults in square brackets]
 
    slope      - The slope parameter applied to the calculated values. See 
                 below. [1]
    intercept  - The intercept parameter applied to the calculated values. See 
                 below. [0]
    moveTol    - maximum distance in Angstroms any atom can move before
                 triggering a recalculation of the neighbor list [0].
    cutoffDist - cutoff distance beyond which atom contributions to
                 the sum are not evaluated [10].
    potType    - potential type, "rmsd" or "correlation"  to use in
                 energy computation [RMSD].
    aveType    - averaging type, "center" or "sum"  to use in
                 effective surface area computation [CENTER].
    aveExp     - the exponent used in averaging [6].
    invPow     - the inverse power used in the effective surface area
                 computation [3].
    excludeSameResid  - a boolean specifying whether or not to exclude
                        atoms in the same residue in the sum
                        computation [True]. 
    showAllRestraints - a boolean describing whether or not to print
                        out information on all restraints, rather than
                        only violated restraints, in the violations
                        file [False].
    ensWeights()      - return ensemble weights.
    verbose           - a boolean describing whether or not to print
                        detailed information on the neighbor lists [False].
 
 the above quantities may be retrieved using the member function form
 quantity(), while they are set using the form setQuantity(value).
 
 
Each Restraint contains the following members:
  
  targetSel - atom selection corresponding to one or more atoms whose
              effective surface area has been measured.
  neighbors - a list of indices of atoms which are neighbors. These
              indices correspond to atoms as listed in the associated
              simulation.Simulation.
  targetVal - effective surface area as specified in the input table.
  targetErr - effective surface area error as specified in the input table.
  calcdVal  - effective surface area as computed from the molecular structure.
  variance  - a measure of spread over ensemble members.
 
  name()    - return the restraint name - by default this in the
              string associated with the targetSel
 
 
For "sum" aveType, the effective surface area is calculated as
 
  Sacc = slope * [ \sum_{i,j} |r_i - r_j|^{-aveExp} ]^{-invPow} + intercept
 
while for "center" aveType it is
 
  Sacc = slope * [ \sum_j |r_c - r_j|^{-aveExp} ]^{-invPow} + intercept
 
where i runs over all atoms in targetSel, j runs over all neighbor
atoms, r_i is the position of atom i, and r_c is the average position
of all atoms in targetSel. For ensembleSimulation.EnsembleSimulations, the 
effective surface area is calculated as
 
  Sacc = \sum_k w_k Sacc_k
 
where Sacc_k is the effective surface area of ensemble member k, and
w_k is the associated ensemble weight.
 
For "rmsd" potType, the energy associated with restraint k is 
 
  E_k = ( Sacc - targetVal )^2 / targetErr^2
 
and the overall energy is the scaled sum:
 
  E = scale() * \sum_k E_k
 
For "correlation" potType
 
   E = scale() * correlation()
 
 
 
# 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_NBTarget_Restraint
EnsemblePot
NBTargetPot_LetterClass
Modified
ModifiedBase
NBTargetPot
Restraint_NBTarget
NBTarget_Restraint
VarEnsWeights
rc_EnsemblePot
rc_ptr_NBTarget_Restraint

 
class CDSList_NBTarget_Restraint(builtins.object)
    CDSList_NBTarget_Restraint(*args)
 

 
  Methods defined here:
__delitem__(self, *args, **kwargs) -> 'void'
__getitem__(self, *args) -> 'CDSList< CDS::rc_ptr< NBTarget_Restraint > >'
__getslice__(self, *args, **kwargs) -> 'CDSList< CDS::rc_ptr< NBTarget_Restraint > >'
__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_NBTarget_Restraint(...)

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 EnsemblePot(builtins.object)
    EnsemblePot(*args, **kwargs)
 

 
  Methods defined here:
__init__(self, *args, **kwargs)
Initialize self.  See help(type(self)) for accurate signature.
__repr__ = _swig_repr(self)
addEnsWeights(self, *args, **kwargs) -> 'void'
calcEnergy(self, *args, **kwargs) -> 'float_type'
calcEnergyAndDerivs(self, *args, **kwargs) -> 'float_type'
calcWDerivs(self, *args, **kwargs) -> 'bool const'
clearEnsWeights(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'
ensWeight(self, *args, **kwargs) -> 'float_type'
ensWeights(self, *args, **kwargs) -> 'CDSList< float_type >'
ensWeightsInfo(self, *args, **kwargs) -> 'String'
getEnsWeights(self, *args, **kwargs) -> 'CDSList< VarEnsWeights > &'
setCalcWDerivs(self, *args, **kwargs) -> 'void'
setEnsWeights(self, *args, **kwargs) -> 'void'
setUseSimEnsWeights(self, *args, **kwargs) -> 'void'
simulation(self, *args) -> 'EnsembleSimulation const *'
updateEnsWeights(self, *args, **kwargs) -> 'void'
useSimEnsWeights(self, *args, **kwargs) -> 'bool const'

Static methods defined here:
__swig_destroy__ = delete_EnsemblePot(...)

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)
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 NBTargetPot_LetterClass(EnsemblePot)
    NBTargetPot_LetterClass(*args, **kwargs)
 

 
 
Method resolution order:
NBTargetPot_LetterClass
EnsemblePot
builtins.object

Methods defined here:
__init__(self, *args, **kwargs)
Initialize self.  See help(type(self)) for accurate signature.
__repr__ = _swig_repr(self)
addRestraints(self, *args, **kwargs) -> 'void'
aveExp(self, *args, **kwargs) -> 'float_type const'
aveType(self, *args, **kwargs) -> 'NBTargetPot::NBTargetAveType const'
correlation(self, *args, **kwargs) -> 'float_type'
cutoffDist(self, *args, **kwargs) -> 'float_type const'
deviation(self, *args, **kwargs) -> 'float_type'
energyMaybeDerivs0(self, *args, **kwargs) -> 'float_type'
energyMaybeDerivs1(self, *args, **kwargs) -> 'float_type'
excludeSameResid(self, *args, **kwargs) -> 'bool const'
info(self, *args, **kwargs) -> 'String'
intercept(self, *args, **kwargs) -> 'float_type const'
invPow(self, *args, **kwargs) -> 'int const'
moveTol(self, *args, **kwargs) -> 'float_type const'
numRestraints(self, *args, **kwargs) -> 'int'
potType(self, *args, **kwargs) -> 'NBTargetPot::NBTargetPotType const'
pyXplorHelp(self, *args, **kwargs) -> 'String'
restraints(self, *args, **kwargs) -> 'CDSList< CDS::rc_ptr< NBTarget_Restraint > >'
rms(self, *args, **kwargs) -> 'double'
selection(self, *args, **kwargs) -> 'AtomSel const &'
setAveExp(self, *args, **kwargs) -> 'void'
setAveType(self, *args, **kwargs) -> 'void'
setCutoffDist(self, *args, **kwargs) -> 'void'
setExcludeSameResid(self, *args, **kwargs) -> 'void'
setIntercept(self, *args, **kwargs) -> 'void'
setInvPow(self, *args, **kwargs) -> 'void'
setMoveTol(self, *args, **kwargs) -> 'void'
setPotType(self, *args, **kwargs) -> 'void'
setShowAllRestraints(self, *args, **kwargs) -> 'void'
setSlope(self, *args, **kwargs) -> 'void'
setVerbose(self, *args, **kwargs) -> 'void'
showAllRestraints(self, *args, **kwargs) -> 'bool const'
showRestraints(self, *args, **kwargs) -> 'String'
showViolations(self, *args, **kwargs) -> 'String'
slope(self, *args, **kwargs) -> 'float_type const'
updateNeighborList(self, *args, **kwargs) -> 'void'
verbose(self, *args, **kwargs) -> 'bool const'
violations(self, *args, **kwargs) -> 'float_type'

Static methods defined here:
__swig_destroy__ = delete_NBTargetPot_LetterClass(...)

Data descriptors defined here:
ave_calcd

 
ave_obs

 
corr

 
denom

 
neighbors

 
num

 
restraints_

 
sumObs2

 
thisown

 
The membership flag

Data and other attributes defined here:
CENTER = 0
CORRELATION = 1
RMSD = 0
SUM = 1

Methods inherited from EnsemblePot:
addEnsWeights(self, *args, **kwargs) -> 'void'
calcEnergy(self, *args, **kwargs) -> 'float_type'
calcEnergyAndDerivs(self, *args, **kwargs) -> 'float_type'
calcWDerivs(self, *args, **kwargs) -> 'bool const'
clearEnsWeights(self, *args, **kwargs) -> 'void'
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'
ensWeight(self, *args, **kwargs) -> 'float_type'
ensWeights(self, *args, **kwargs) -> 'CDSList< float_type >'
ensWeightsInfo(self, *args, **kwargs) -> 'String'
getEnsWeights(self, *args, **kwargs) -> 'CDSList< VarEnsWeights > &'
setCalcWDerivs(self, *args, **kwargs) -> 'void'
setEnsWeights(self, *args, **kwargs) -> 'void'
setUseSimEnsWeights(self, *args, **kwargs) -> 'void'
simulation(self, *args) -> 'EnsembleSimulation const *'
updateEnsWeights(self, *args, **kwargs) -> 'void'
useSimEnsWeights(self, *args, **kwargs) -> 'bool const'

Data descriptors inherited from EnsemblePot:
__dict__

 
dictionary for instance variables (if defined)
__weakref__

 
list of weak references to the object (if defined)

 
class NBTarget_Restraint(Restraint_NBTarget)
    NBTarget_Restraint(*args, **kwargs)
 

 
 
Method resolution order:
NBTarget_Restraint
Restraint_NBTarget
builtins.object

Methods defined here:
__init__(self, *args, **kwargs)
Initialize self.  See help(type(self)) for accurate signature.
__repr__ = _swig_repr(self)
calcContrib(self, *args, **kwargs) -> 'void'
calcd(self, *args, **kwargs) -> 'float_type'
deriv(self, *args, **kwargs) -> 'void'
deviation(self, *args, **kwargs) -> 'float_type'
energy(self, *args, **kwargs) -> 'float_type'
err(self, *args, **kwargs) -> 'float_type'
name(self, *args, **kwargs) -> 'String'
obs(self, *args, **kwargs) -> 'float_type'
sel(self, *args, **kwargs) -> 'AtomSel const &'
updateNeighborList(self, *args, **kwargs) -> 'void'

Static methods defined here:
__swig_destroy__ = delete_NBTarget_Restraint(...)

Data descriptors defined here:
calcdVal

 
contrib

 
neighbors

 
targetErr

 
targetSel

 
targetVal

 
thisown

 
The membership flag
variance

 

Methods inherited from Restraint_NBTarget:
diff(self, *args, **kwargs) -> 'float_type'
setName(self, *args, **kwargs) -> 'void'
violated(self, *args, **kwargs) -> 'bool'

Data descriptors inherited from Restraint_NBTarget:
__dict__

 
dictionary for instance variables (if defined)
__weakref__

 
list of weak references to the object (if defined)

 
class Restraint_NBTarget(builtins.object)
    Restraint_NBTarget(*args, **kwargs)
 

 
  Methods defined here:
__init__(self, *args, **kwargs)
Initialize self.  See help(type(self)) for accurate signature.
__repr__ = _swig_repr(self)
diff(self, *args, **kwargs) -> 'float_type'
name(self, *args, **kwargs) -> 'String const'
setName(self, *args, **kwargs) -> 'void'
violated(self, *args, **kwargs) -> 'bool'

Static methods defined here:
__swig_destroy__ = delete_Restraint_NBTarget(...)

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 VarEnsWeights(builtins.object)
    VarEnsWeights(*args, **kwargs)
 

 
  Methods defined here:
__init__(self, *args, **kwargs)
Initialize self.  See help(type(self)) for accurate signature.
__repr__ = _swig_repr(self)

Static methods defined here:
__swig_destroy__ = delete_VarEnsWeights(...)

Data descriptors defined here:
__dict__

 
dictionary for instance variables (if defined)
__weakref__

 
list of weak references to the object (if defined)
ensWeights

 
mult

 
thisown

 
The membership flag

 
class rc_EnsemblePot(builtins.object)
    rc_EnsemblePot(*args, **kwargs)
 

 
  Methods defined here:
__init__(self, *args, **kwargs)
Initialize self.  See help(type(self)) for accurate signature.
__repr__ = _swig_repr(self)

Static methods defined here:
__swig_destroy__ = delete_rc_EnsemblePot(...)

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_NBTarget_Restraint(builtins.object)
    rc_ptr_NBTarget_Restraint(*args)
 

 
  Methods defined here:
__deref__(self, *args, **kwargs) -> 'NBTarget_Restraint *'
__init__(self, *args)
Initialize self.  See help(type(self)) for accurate signature.
__ref__(self, *args, **kwargs) -> 'NBTarget_Restraint &'
__repr__ = _swig_repr(self)
calcContrib(self, *args, **kwargs) -> 'void'
calcd(self, *args, **kwargs) -> 'float_type'
count(self, *args, **kwargs) -> 'int'
decr(self, *args, **kwargs) -> 'void'
deriv(self, *args, **kwargs) -> 'void'
deviation(self, *args, **kwargs) -> 'float_type'
diff(self, *args, **kwargs) -> 'float_type'
energy(self, *args, **kwargs) -> 'float_type'
err(self, *args, **kwargs) -> 'float_type'
forceDelete(self, *args, **kwargs) -> 'void'
incr(self, *args, **kwargs) -> 'void'
name(self, *args, **kwargs) -> 'String'
obs(self, *args, **kwargs) -> 'float_type'
ptr(self, *args, **kwargs) -> 'NBTarget_Restraint *'
release(self, *args, **kwargs) -> 'NBTarget_Restraint *'
reset(self, *args, **kwargs) -> 'void'
sel(self, *args, **kwargs) -> 'AtomSel const &'
setName(self, *args, **kwargs) -> 'void'
updateNeighborList(self, *args, **kwargs) -> 'void'
violated(self, *args, **kwargs) -> 'bool'

Static methods defined here:
__swig_destroy__ = delete_rc_ptr_NBTarget_Restraint(...)

Data descriptors defined here:
__dict__

 
dictionary for instance variables (if defined)
__weakref__

 
list of weak references to the object (if defined)
calcdVal

 
contrib

 
neighbors

 
targetErr

 
targetSel

 
targetVal

 
thisown

 
The membership flag
variance

 

 
realNBTargetPot = class NBTargetPot(builtins.object)
    realNBTargetPot(*args)
 

 
  Methods defined here:
__deref__(self, *args, **kwargs) -> 'NBTargetPot *'
__init__(self, *args)
__oldinit__ = __init__(self, *args, **kwargs)
__ref__(self, *args, **kwargs) -> 'NBTargetPot &'
__repr__ = _swig_repr(self)
addEnsWeights(self, *args, **kwargs) -> 'void'
addRestraints(self, *args, **kwargs) -> 'void'
aveExp(self, *args, **kwargs) -> 'float_type const'
aveType(self, *args, **kwargs) -> 'NBTargetPot::NBTargetAveType const'
calcEnergy(self, *args, **kwargs) -> 'float_type'
calcEnergyAndDerivs(self, *args, **kwargs) -> 'float_type'
calcWDerivs(self, *args, **kwargs) -> 'bool const'
clearEnsWeights(self, *args, **kwargs) -> 'void'
correlation(self, *args, **kwargs) -> 'float_type'
cutoffDist(self, *args, **kwargs) -> 'float_type const'
decrRefCnt(self, *args, **kwargs) -> 'void'
deviation(self, *args, **kwargs) -> 'float_type'
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'
ensWeight(self, *args, **kwargs) -> 'float_type'
ensWeights(self, *args, **kwargs) -> 'CDSList< float_type >'
ensWeightsInfo(self, *args, **kwargs) -> 'String'
excludeSameResid(self, *args, **kwargs) -> 'bool const'
getEnsWeights(self, *args, **kwargs) -> 'CDSList< VarEnsWeights > &'
incrRefCnt(self, *args, **kwargs) -> 'void'
info(self, *args, **kwargs) -> 'String'
instanceData(self, *args, **kwargs) -> 'PyObject *'
instanceName(self, *args, **kwargs) -> 'char const *'
intercept(self, *args, **kwargs) -> 'float_type const'
invPow(self, *args, **kwargs) -> 'int const'
moveTol(self, *args, **kwargs) -> 'float_type const'
numRestraints(self, *args, **kwargs) -> 'int'
potName(self, *args, **kwargs) -> 'char const *'
potType(self, *args, **kwargs) -> 'NBTargetPot::NBTargetPotType const'
pyXplorHelp(self, *args, **kwargs) -> 'String'
refCnt(self, *args, **kwargs) -> 'int'
registerInstanceData(self, *args, **kwargs) -> 'void'
registerTo(self, *args, **kwargs) -> 'void'
resetInstanceName(self, *args, **kwargs) -> 'void'
resetPotName(self, *args, **kwargs) -> 'void'
restraints(self, *args, **kwargs) -> 'CDSList< CDS::rc_ptr< NBTarget_Restraint > >'
rms(self, *args, **kwargs) -> 'double'
scale(self, *args, **kwargs) -> 'float_type const'
selection(self, *args, **kwargs) -> 'AtomSel const &'
setAveExp(self, *args, **kwargs) -> 'void'
setAveType(self, *args, **kwargs) -> 'void'
setCalcWDerivs(self, *args, **kwargs) -> 'void'
setCutoffDist(self, *args, **kwargs) -> 'void'
setEnsWeights(self, *args, **kwargs) -> 'void'
setExcludeSameResid(self, *args, **kwargs) -> 'void'
setIntercept(self, *args, **kwargs) -> 'void'
setInvPow(self, *args, **kwargs) -> 'void'
setMoveTol(self, *args, **kwargs) -> 'void'
setPotType(self, *args, **kwargs) -> 'void'
setScale(self, *args, **kwargs) -> 'void'
setShowAllRestraints(self, *args, **kwargs) -> 'void'
setSlope(self, *args, **kwargs) -> 'void'
setThreshold(self, *args, **kwargs) -> 'void'
setUseSimEnsWeights(self, *args, **kwargs) -> 'void'
setVerbose(self, *args, **kwargs) -> 'void'
showAllRestraints(self, *args, **kwargs) -> 'bool const'
showRestraints(self, *args, **kwargs) -> 'String'
showViolations(self, *args, **kwargs) -> 'String'
simulation(self, *args) -> 'EnsembleSimulation const *'
slope(self, *args, **kwargs) -> 'float_type const'
threshold(self, *args, **kwargs) -> 'float_type const'
unRegister(self, *args, **kwargs) -> 'void'
updateDelta(self, *args, **kwargs) -> 'void'
updateEnsWeights(self, *args, **kwargs) -> 'void'
updateNeighborList(self, *args, **kwargs) -> 'void'
updateValues(self, *args, **kwargs) -> 'void'
useSimEnsWeights(self, *args, **kwargs) -> 'bool const'
verbose(self, *args, **kwargs) -> 'bool const'
violations(self, *args, **kwargs) -> 'float_type'

Static methods defined here:
__swig_destroy__ = delete_NBTargetPot(...)

Data descriptors defined here:
__dict__

 
dictionary for instance variables (if defined)
__weakref__

 
list of weak references to the object (if defined)
ave_calcd

 
ave_obs

 
corr

 
denom

 
instanceDataCleanup

 
instanceDataCreate

 
instanceData_

 
modified

 
neighbors

 
num

 
registeredSimulations

 
restraints_

 
sumObs2

 
thisown

 
The membership flag

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