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

DEERPot is an energy term consisting of restraints to one or more
observed DEER time traces.
 
 One normally creates DEERPot objects using the create_DEERPot function within 
the deerPotTools module.
 
 
constructor:   
    DEERPot(instanceName,
            nonTagSel)
  
  instanceName is a user-specified identifier. The nonTagSel argument
  is a string or atomSel.AtomSel object specifying atoms which are
  not paramagnetic tags, but which should be considered in the computation
  of tag weight due to overlap.
 
members:
 
  integralList - list of matrices containing deerTraceIntegral values
                 appropriate for consitutent restraints. This allows
                 reuse of calculated values for restraints which contain
                 the same values of timeVals.
 
methods:
 
  calcEnergy()                 - calc energy, returns the energy value-
                                 the scaled sum of restraint energies..
  calcEnergyAndDerivs(derivs)  - calc energy, derivs, returns the energy value.
  numRestraints()              - return the number of restraints defined for
                                 this term.
  clearRestraints()            - remove all restraints.
  restraints()                 - return a sequence of restraints. See the
                                 description of the Restraint class below.
                                 Restraint properties can thus be modified.
 
  violations()      - return number of violations
  simulation()      - return the associated simulation.Simulation.
  nonTagSelection() - return atomSel.AtomSel corresponding to the
                      nonTagSel argument given when the object was created.
  tagEnv()          - return the associated tagPairDist.TagEnvironment
                      object.
  
  addRestraint(timeVals,   - add one restraint with time and observed DEER
               obsTrace,     trace specified in the timeVals and obsTrace
               atomSel1,     arrays, respectively. The pair of tags giving
               atomSel2,     rise to this trace is given by atomSel1 and
               comment="")   atomSel2. An optional comment may be specified.
 
Accessors:
 
 The quantities below may be retrieved using the member function form
 quantity(), while they are set using the form setQuantity(value).
 
   verbose   - boolean controlling verbose output. [False]
   aWeights1 - these specify optional aWeights.AWeights objects
   aWeights2   used to vary and optimize the per-rotamer intrinsic weights
               used for all restraints. If these are not set, then rotamer
               weights are not varied.
   scale     - energy scale factor (force constant) applied to all
               restraint energies [1].
   g1, g2    - The electron g-factor. These must be specified *before*
               calling addRestraint. [2.002319]
 
Static member function:
 
 deerTraceIntegral(t,            - return the fresnel integral I given below,
                   r,              where t is time in sec and r is distance 
                   gA=2.002319,    in Angstrom, and gA and gB are the two
                   gB=2.002319)    electron g-factors.
 
  I(r,t;gA,gB) = \int_0^{\pi/2} d\theta sin(\theta) cos\[
                      \frac{\mu_0\mu_B^2g_Ag_B t}{4\pi\hbar r^3}
                      (1-3\cos^2\theta)\]
 
                      
 
The Restraint class - returned by DEERPot's restraints() method
 
Members:
 
 pot         - the associated instance of DEERPot
 comment     - return comment given in DEERPot.addRestraint(), if any.
 maxVal      - maximum value of obs
 fitStartIdx - index into timeVals, calcd, obs arrays used to mark the
               beginning of the fit- defaults to 0, the first point.
 Vintra      - a sequence containing the intramolecular component of the
               DEER curve = \delta r  sum_j I(t_i,r_j) Pr(r_j), where
               I(t,r) is the deerTraceIntegral, Pr(r) is the pairwise distance
               distribution, and \delta r is the spacing used to represent
               the Pr (assumed uniform).
 
Accessors:
 
 The quantities below may be retrieved using the member function form
 quantity(), while they are set using the form setQuantity(value).
 
  modDepth  - modulation depth - lambda in Ref 1's equations
  slope     - slope - k in Ref 1's equations
 
Methods:
 
  timeVals()     - return the DEER trace time values.
  calcd()        - return the calculated DEER trace, one for each of timeVals
                   For time t_i this is
                     exp(slope*t_i) (1. - modDepth*(1-Vintra_i)
  obs()          - observed DEER trace. Can be changed using the setObs(val)
                   method.
 
  score()        - return 1/(N-fitStartIdx) x
                          \sum_{i=fitStartIdx}^N (calcd[i]-obs[i] )^2
                   where N is the number of time points.
            
  energy()       - return restraint energy = scale() * score()
  scale()        - per-restraint energy scale. Set using setScale(val).
 
  tagPairDist()  - return the associated tagPairDist.TagPairDist
                   object describing the distance distribution arising from
                   the pair of tag ensembles.
 
       Associated short-cut methods, returning methods from tagPairDist():
         rVals()       - return the r,Pr values associated with
         Pr()          - the distance probability distribution.
         weights1()/setWeights1(val) - return/set the intrinsic weights of 
         weights2()/setWeights2(val) - each rotamer in the two tags.
 
 
  integral() - return a cdsMatrix.CDSMatrix containing deerTraceIntegral
               values appropriate for this restraint's timeVals and rVals.
 
  integralIndex - index into pot's integralList
 
 
 
 
# 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_CDSList_int
CDSList_DEER_Restraint
DEERPot
DEERPot_LetterClass
Modified
ModifiedBase
Restraint_DEERPot
DEER_Restraint
TagEnvironment
TagPairDist
rc_ptr_DEER_Restraint

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

 
  Methods defined here:
__delitem__(self, *args, **kwargs) -> 'void'
__getitem__(self, *args) -> 'CDSList< CDSList< int > >'
__getslice__(self, *args, **kwargs) -> 'CDSList< CDSList< int > >'
__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_CDSList_int(...)

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 CDSList_DEER_Restraint(builtins.object)
    CDSList_DEER_Restraint(*args)
 

 
  Methods defined here:
__delitem__(self, *args, **kwargs) -> 'void'
__getitem__(self, *args) -> 'CDSList< CDS::rc_ptr< DEER_Restraint > >'
__getslice__(self, *args, **kwargs) -> 'CDSList< CDS::rc_ptr< DEER_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_DEER_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 DEERPot_LetterClass(builtins.object)
    DEERPot_LetterClass(*args, **kwargs)
 

 
  Methods defined here:
__init__(self, *args, **kwargs)
Initialize self.  See help(type(self)) for accurate signature.
__repr__ = _swig_repr(self)
aWeights1(self, *args, **kwargs) -> 'AWeights *'
aWeights2(self, *args, **kwargs) -> 'AWeights *'
addRestraint(self, *args, **kwargs) -> 'void'
calcEnergy(self, *args, **kwargs) -> 'float_type'
calcEnergyAndDerivs(self, *args, **kwargs) -> 'float_type'
calcIntegrals(self, *args, **kwargs) -> 'CDSMatrix< float_type >'
calcWeightDerivs(self, *args, **kwargs) -> 'void'
clearRestraints(self, *args, **kwargs) -> 'void'
g1(self, *args, **kwargs) -> 'float_type const'
g2(self, *args, **kwargs) -> 'float_type const'
nonTagSelection(self, *args, **kwargs) -> 'AtomSel const &'
numRestraints(self, *args, **kwargs) -> 'int'
pyXplorHelp(self, *args, **kwargs) -> 'String'
restraints(self, *args, **kwargs) -> 'CDSList< CDS::rc_ptr< DEER_Restraint > >'
rms(self, *args, **kwargs) -> 'float_type'
setAWeights1(self, *args, **kwargs) -> 'void'
setAWeights2(self, *args, **kwargs) -> 'void'
setG1(self, *args, **kwargs) -> 'void'
setG2(self, *args, **kwargs) -> 'void'
setTargetType(self, *args, **kwargs) -> 'void'
setVerbose(self, *args, **kwargs) -> 'void'
simulation(self, *args, **kwargs) -> 'Simulation const *'
tagEnv(self, *args, **kwargs) -> 'TagEnvironment &'
targetType(self, *args, **kwargs) -> 'DEERPot::DEERPotTargetType const'
verbose(self, *args, **kwargs) -> 'bool const'
violations(self, *args, **kwargs) -> 'float_type'

Static methods defined here:
__swig_destroy__ = delete_DEERPot_LetterClass(...)
deerTraceIntegral(*args, **kwargs) -> 'float_type'
deerTraceIntegral1(*args, **kwargs) -> 'float_type'
deerTraceIntegrand(*args, **kwargs) -> 'float_type'

Data descriptors defined here:
__dict__

 
dictionary for instance variables (if defined)
__weakref__

 
list of weak references to the object (if defined)
d_dw1

 
d_dw2

 
integralList

 
thisown

 
The membership flag

Data and other attributes defined here:
DIFFERENCE = 0

 
class DEER_Restraint(Restraint_DEERPot)
    DEER_Restraint(*args)
 

 
 
Method resolution order:
DEER_Restraint
Restraint_DEERPot
builtins.object

Methods defined here:
Pr(self, *args, **kwargs) -> 'CDSVector< float_type >'
__init__(self, *args)
Initialize self.  See help(type(self)) for accurate signature.
__repr__ = _swig_repr(self)
calcWeightDerivs(self, *args, **kwargs) -> 'void'
calcd(self, *args, **kwargs) -> 'CDSVector< float_type >'
energy(self, *args, **kwargs) -> 'float_type'
energyAndDerivs(self, *args, **kwargs) -> 'float_type'
integral(self, *args, **kwargs) -> 'CDSMatrix< float_type >'
modDepth(self, *args, **kwargs) -> 'float_type const'
obs(self, *args, **kwargs) -> 'CDSVector< float_type >'
rVals(self, *args, **kwargs) -> 'CDSVector< float_type > const &'
scale(self, *args, **kwargs) -> 'float_type const'
score(self, *args, **kwargs) -> 'float_type'
setModDepth(self, *args, **kwargs) -> 'void'
setObs(self, *args, **kwargs) -> 'void'
setScale(self, *args, **kwargs) -> 'void'
setSlope(self, *args, **kwargs) -> 'void'
setWeights1(self, *args, **kwargs) -> 'void'
setWeights2(self, *args, **kwargs) -> 'void'
slope(self, *args, **kwargs) -> 'float_type const'
tagPairDist(self, *args, **kwargs) -> 'TagPairDist &'
timeVals(self, *args, **kwargs) -> 'CDSVector< float_type >'
updateDistanceWeights(self, *args, **kwargs) -> 'void'
weights1(self, *args, **kwargs) -> 'CDSVector< float_type >'
weights2(self, *args, **kwargs) -> 'CDSVector< float_type >'

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

Data descriptors defined here:
Vintra

 
comment

 
d_dw1

 
d_dw2

 
fitStartIdx

 
integralIndex

 
maxVal

 
thisown

 
The membership flag

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

Data descriptors inherited from Restraint_DEERPot:
__dict__

 
dictionary for instance variables (if defined)
__weakref__

 
list of weak references to the object (if defined)

 
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 Restraint_DEERPot(builtins.object)
    Restraint_DEERPot(*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_DEERPot(...)

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

 
  Methods defined here:
__init__(self, *args, **kwargs)
Initialize self.  See help(type(self)) for accurate signature.
__repr__ = _swig_repr(self)
absoluteWeights(self, *args, **kwargs) -> 'bool const'
addTagAtoms(self, *args, **kwargs) -> 'void'
deltaR(self, *args, **kwargs) -> 'float_type const'
distanceSigmoidWidth(self, *args, **kwargs) -> 'float_type const'
maxR(self, *args, **kwargs) -> 'float_type const'
maxRadius(self, *args, **kwargs) -> 'float_type'
maybeUpdateNeighborList(self, *args, **kwargs) -> 'void'
minR(self, *args, **kwargs) -> 'float_type const'
moveTol(self, *args, **kwargs) -> 'float_type const'
nonTagSelection(self, *args, **kwargs) -> 'AtomSel const &'
numClosestAtoms(self, *args, **kwargs) -> 'int const'
printNeighborList(self, *args, **kwargs) -> 'void'
rValues(self, *args, **kwargs) -> 'CDSVector< float_type >'
resize(self, *args, **kwargs) -> 'void'
setAbsoluteWeights(self, *args, **kwargs) -> 'void'
setDeltaR(self, *args, **kwargs) -> 'void'
setDistanceSigmoidWidth(self, *args, **kwargs) -> 'void'
setMaxR(self, *args, **kwargs) -> 'void'
setMinR(self, *args, **kwargs) -> 'void'
setMoveTol(self, *args, **kwargs) -> 'void'
setNumClosestAtoms(self, *args, **kwargs) -> 'void'
setRadii(self, *args, **kwargs) -> 'void'
setTagRadii(self, *args, **kwargs) -> 'void'
setVerbose(self, *args, **kwargs) -> 'void'
simulation(self, *args, **kwargs) -> 'Simulation const *'
updateNeighborList(self, *args, **kwargs) -> 'void'
verbose(self, *args, **kwargs) -> 'bool const'

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

Data descriptors defined here:
__dict__

 
dictionary for instance variables (if defined)
__weakref__

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

 
thisown

 
The membership flag

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

 
  Methods defined here:
Pr(self, *args, **kwargs) -> 'CDSVector< float_type >'
__init__(self, *args, **kwargs)
Initialize self.  See help(type(self)) for accurate signature.
__repr__ = _swig_repr(self)
atomSel1(self, *args, **kwargs) -> 'AtomSel const &'
atomSel2(self, *args, **kwargs) -> 'AtomSel const &'
distanceWeights1(self, *args, **kwargs) -> 'CDSVector< float_type >'
distanceWeights2(self, *args, **kwargs) -> 'CDSVector< float_type >'
pairDist(self, *args, **kwargs) -> 'PairDist &'
rVals(self, *args, **kwargs) -> 'CDSVector< float_type > const &'
setWeights1(self, *args, **kwargs) -> 'void'
setWeights2(self, *args, **kwargs) -> 'void'
update(self, *args, **kwargs) -> 'void'
updateDistanceWeights(self, *args, **kwargs) -> 'void'
weights1(self, *args, **kwargs) -> 'CDSVector< float_type >'
weights2(self, *args, **kwargs) -> 'CDSVector< float_type >'

Static methods defined here:
__swig_destroy__ = delete_TagPairDist(...)
d_distanceWeight(*args, **kwargs) -> 'float_type'
distanceWeight(*args, **kwargs) -> 'float_type'

Data descriptors defined here:
__dict__

 
dictionary for instance variables (if defined)
__weakref__

 
list of weak references to the object (if defined)
closestAtomIndices1

 
closestAtomIndices2

 
comment

 
d_dw1

 
d_dw2

 
distanceWeights1_

 
distanceWeights2_

 
sortedDWeights1

 
sortedDWeights2

 
tagRadii1

 
tagRadii2

 
thisown

 
The membership flag
weights1_

 
weights2_

 

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

 
  Methods defined here:
Pr(self, *args, **kwargs) -> 'CDSVector< float_type >'
__deref__(self, *args, **kwargs) -> 'DEER_Restraint *'
__init__(self, *args)
Initialize self.  See help(type(self)) for accurate signature.
__ref__(self, *args, **kwargs) -> 'DEER_Restraint &'
__repr__ = _swig_repr(self)
calcWeightDerivs(self, *args, **kwargs) -> 'void'
calcd(self, *args, **kwargs) -> 'CDSVector< float_type >'
count(self, *args, **kwargs) -> 'int'
decr(self, *args, **kwargs) -> 'void'
diff(self, *args, **kwargs) -> 'float_type'
energy(self, *args, **kwargs) -> 'float_type'
energyAndDerivs(self, *args, **kwargs) -> 'float_type'
forceDelete(self, *args, **kwargs) -> 'void'
incr(self, *args, **kwargs) -> 'void'
integral(self, *args, **kwargs) -> 'CDSMatrix< float_type >'
modDepth(self, *args, **kwargs) -> 'float_type const'
name(self, *args, **kwargs) -> 'String const'
obs(self, *args, **kwargs) -> 'CDSVector< float_type >'
ptr(self, *args, **kwargs) -> 'DEER_Restraint *'
rVals(self, *args, **kwargs) -> 'CDSVector< float_type > const &'
release(self, *args, **kwargs) -> 'DEER_Restraint *'
reset(self, *args, **kwargs) -> 'void'
scale(self, *args, **kwargs) -> 'float_type const'
score(self, *args, **kwargs) -> 'float_type'
setModDepth(self, *args, **kwargs) -> 'void'
setName(self, *args, **kwargs) -> 'void'
setObs(self, *args, **kwargs) -> 'void'
setScale(self, *args, **kwargs) -> 'void'
setSlope(self, *args, **kwargs) -> 'void'
setWeights1(self, *args, **kwargs) -> 'void'
setWeights2(self, *args, **kwargs) -> 'void'
slope(self, *args, **kwargs) -> 'float_type const'
tagPairDist(self, *args, **kwargs) -> 'TagPairDist &'
timeVals(self, *args, **kwargs) -> 'CDSVector< float_type >'
updateDistanceWeights(self, *args, **kwargs) -> 'void'
violated(self, *args, **kwargs) -> 'bool'
weights1(self, *args, **kwargs) -> 'CDSVector< float_type >'
weights2(self, *args, **kwargs) -> 'CDSVector< float_type >'

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

Data descriptors defined here:
Vintra

 
__dict__

 
dictionary for instance variables (if defined)
__weakref__

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

 
d_dw1

 
d_dw2

 
fitStartIdx

 
integralIndex

 
maxVal

 
thisown

 
The membership flag

 
realDEERPot = class DEERPot(builtins.object)
    realDEERPot(*args)
 

 
  Methods defined here:
__deref__(self, *args, **kwargs) -> 'DEERPot *'
__init__(self, *args)
__oldinit__ = __init__(self, *args, **kwargs)
__ref__(self, *args, **kwargs) -> 'DEERPot &'
__repr__ = _swig_repr(self)
aWeights1(self, *args, **kwargs) -> 'AWeights *'
aWeights2(self, *args, **kwargs) -> 'AWeights *'
addRestraint(self, *args, **kwargs) -> 'void'
calcEnergy(self, *args, **kwargs) -> 'float_type'
calcEnergyAndDerivs(self, *args, **kwargs) -> 'float_type'
calcIntegrals(self, *args, **kwargs) -> 'CDSMatrix< float_type >'
calcWeightDerivs(self, *args, **kwargs) -> 'void'
clearRestraints(self, *args, **kwargs) -> 'void'
decrRefCnt(self, *args, **kwargs) -> 'void'
deerTraceIntegral(self, *args, **kwargs) -> 'float_type'
deerTraceIntegral1(self, *args, **kwargs) -> 'float_type'
deerTraceIntegrand(self, *args, **kwargs) -> 'float_type'
g1(self, *args, **kwargs) -> 'float_type const'
g2(self, *args, **kwargs) -> 'float_type const'
incrRefCnt(self, *args, **kwargs) -> 'void'
instanceData(self, *args, **kwargs) -> 'PyObject *'
instanceName(self, *args, **kwargs) -> 'char const *'
nonTagSelection(self, *args, **kwargs) -> 'AtomSel const &'
numRestraints(self, *args, **kwargs) -> 'int'
potName(self, *args, **kwargs) -> 'char 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< DEER_Restraint > >'
rms(self, *args, **kwargs) -> 'float_type'
scale(self, *args, **kwargs) -> 'float_type const'
setAWeights1(self, *args, **kwargs) -> 'void'
setAWeights2(self, *args, **kwargs) -> 'void'
setG1(self, *args, **kwargs) -> 'void'
setG2(self, *args, **kwargs) -> 'void'
setScale(self, *args, **kwargs) -> 'void'
setTargetType(self, *args, **kwargs) -> 'void'
setThreshold(self, *args, **kwargs) -> 'void'
setVerbose(self, *args, **kwargs) -> 'void'
simulation(self, *args, **kwargs) -> 'Simulation const *'
tagEnv(self, *args, **kwargs) -> 'TagEnvironment &'
targetType(self, *args, **kwargs) -> 'DEERPot::DEERPotTargetType const'
threshold(self, *args, **kwargs) -> 'float_type const'
unRegister(self, *args, **kwargs) -> 'void'
updateDelta(self, *args, **kwargs) -> 'void'
updateValues(self, *args, **kwargs) -> 'void'
verbose(self, *args, **kwargs) -> 'bool const'
violations(self, *args, **kwargs) -> 'float_type'

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

Data descriptors defined here:
__dict__

 
dictionary for instance variables (if defined)
__weakref__

 
list of weak references to the object (if defined)
d_dw1

 
d_dw2

 
instanceDataCleanup

 
instanceDataCreate

 
instanceData_

 
integralList

 
modified

 
registeredSimulations

 
thisown

 
The membership flag

 
Functions
       
DEERPot(*args)
DEERPot_LetterClass_deerTraceIntegral(*args, **kwargs) -> 'float_type'
DEERPot_LetterClass_deerTraceIntegral1(*args, **kwargs) -> 'float_type'
DEERPot_LetterClass_deerTraceIntegrand(*args, **kwargs) -> 'float_type'
TagPairDist_d_distanceWeight(*args, **kwargs) -> 'float_type'
TagPairDist_distanceWeight(*args, **kwargs) -> 'float_type'
deerTraceIntegral = DEERPot_LetterClass_deerTraceIntegral(*args, **kwargs) -> 'float_type'
deerTraceIntegral1 = DEERPot_LetterClass_deerTraceIntegral1(*args, **kwargs) -> 'float_type'
pyXplorHelp(*args) -> 'String'

 
Data
        cvar = <Swig global variables>