| |
- builtins.object
-
- CDSList_PRERestraint
- EnsemblePot
-
- PREPot_LetterClass
- Modified
- ModifiedBase
- PREPot
- Restraint_PREPot
-
- PRERestraint
- VarEnsWeights
- rc_EnsemblePot
- rc_ptr_PRERestraint
class CDSList_PRERestraint(builtins.object) |
|
CDSList_PRERestraint(*args)
|
|
Methods defined here:
- __delitem__(self, *args, **kwargs) -> 'void'
- __getitem__(self, *args) -> 'CDSList< CDS::rc_ptr< PRERestraint > >'
- __getslice__(self, *args, **kwargs) -> 'CDSList< CDS::rc_ptr< PRERestraint > >'
- __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_PRERestraint(...)
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) -> 'EnsembleSimulationBase 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)
- 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 PREPot_LetterClass(EnsemblePot) |
|
PREPot_LetterClass(*args, **kwargs)
|
|
- Method resolution order:
- PREPot_LetterClass
- EnsemblePot
- builtins.object
Methods defined here:
- AveSqObs(self, *args, **kwargs) -> 'float_type'
- Qfactor(self, *args, **kwargs) -> 'float_type'
- Rfactor(self, *args, **kwargs) -> 'float_type'
- __init__(self, *args, **kwargs)
- Initialize self. See help(type(self)) for accurate signature.
- __repr__ = _swig_repr(self)
- addRestraints(self, *args, **kwargs) -> 'void'
- assignType(self)
- for backwards compatibility
- asympSlope(self, *args, **kwargs) -> 'float_type const'
- aveS2(self, *args, **kwargs) -> 'float_type'
- aveSize(self, *args, **kwargs) -> 'float_type const'
- aveType(self, *args, **kwargs) -> 'PREPot::PREAveType'
- checkClockAtoms(self, *args, **kwargs) -> 'void'
- coeff(self, *args, **kwargs) -> 'double'
- coeff2(self, *args, **kwargs) -> 'double'
- correlation(self, *args, **kwargs) -> 'float_type'
- distMult(self, *args, **kwargs) -> 'CDSMatrix< float_type >'
- energyMaybeDerivs0(self, *args, **kwargs) -> 'float_type'
- energyMaybeDerivs1(self, *args, **kwargs) -> 'float_type'
- energyMaybeDerivs2(self, *args, **kwargs) -> 'float_type'
- ensInterconvert(self, *args, **kwargs) -> 'PREPot::PREEnsInterconvert const'
- equType(self, *args, **kwargs) -> 'PREPot::PREEquType'
- expTemp(self, *args, **kwargs) -> 'float_type const'
- fixTauc(self, *args, **kwargs) -> 'bool const'
- fixTaui(self, *args, **kwargs) -> 'bool const'
- fixTaut(self, *args, **kwargs) -> 'bool const'
- force(self)
- freqI(self, *args, **kwargs) -> 'float_type const'
- funType(self, *args, **kwargs) -> 'PREPot::PREFunType const'
- gammaI(self, *args, **kwargs) -> 'float_type const'
- gfac(self, *args, **kwargs) -> 'float_type const'
- hardExp(self, *args, **kwargs) -> 'float_type const'
- iaAtom(self, *args, **kwargs) -> 'Atom const'
- ibAtom(self, *args, **kwargs) -> 'Atom const'
- info(self, *args, **kwargs) -> 'String'
- ioAtom(self, *args, **kwargs) -> 'Atom const'
- kForOpt(self, *args, **kwargs) -> 'double'
- kaAtom(self, *args, **kwargs) -> 'Atom const'
- kbAtom(self, *args, **kwargs) -> 'Atom const'
- koAtom(self, *args, **kwargs) -> 'Atom const'
- mScale(self, *args, **kwargs) -> 'float_type const'
- minS2(self, *args, **kwargs) -> 'float_type'
- mkSumRestraints(self, *args, **kwargs) -> 'void'
- npc(self, *args, **kwargs) -> 'int const'
- numRestraints(self, *args, **kwargs) -> 'int'
- potType(self, *args, **kwargs) -> 'PREPot::PREPotType'
- pyXplorHelp(self, *args, **kwargs) -> 'String'
- qFactor(self, *args, **kwargs) -> 'float_type'
- rFactor(self, *args, **kwargs) -> 'float_type'
- rSwitch(self, *args, **kwargs) -> 'float_type const'
- removeRestraint(self, *args, **kwargs) -> 'void'
- restraints(self, *args, **kwargs) -> 'CDSList< CDS::rc_ptr< PRERestraint > >'
- restraintsSize(self, *args, **kwargs) -> 'int'
- rho0(self, *args, **kwargs) -> 'float_type const'
- rlxType(self, *args, **kwargs) -> 'PREPot::PRERlxType'
- rms(self, *args, **kwargs) -> 'float_type'
- sbmfType(self, *args, **kwargs) -> 'PREPot::PRESbmfType'
- sclType(self, *args, **kwargs) -> 'PREPot::PRESclType'
- sel1Filter(self, *args, **kwargs) -> 'AtomSel const'
- sel2Filter(self, *args, **kwargs) -> 'AtomSel const'
- setAsympSlope(self, *args, **kwargs) -> 'void'
- setAveSize(self, *args, **kwargs) -> 'void'
- setAveType(self, *args, **kwargs) -> 'void'
- setCoeff(self, *args, **kwargs) -> 'void'
- setDistMult(self, *args, **kwargs) -> 'void'
- setEnsInterconvert(self, *args, **kwargs) -> 'void'
- setEquType(self, *args, **kwargs) -> 'void'
- setExpTemp(self, *args, **kwargs) -> 'void'
- setFixTauc(self, *args, **kwargs) -> 'void'
- setFixTaui(self, *args, **kwargs) -> 'void'
- setFixTaut(self, *args, **kwargs) -> 'void'
- setForce(self, val)
- setFreqI(self, *args, **kwargs) -> 'void'
- setFunType(self, *args, **kwargs) -> 'void'
- setGammaI(self, *args, **kwargs) -> 'void'
- setGfac(self, *args, **kwargs) -> 'void'
- setHardExp(self, *args, **kwargs) -> 'void'
- setIaAtom(self, *args, **kwargs) -> 'void'
- setIbAtom(self, *args, **kwargs) -> 'void'
- setIoAtom(self, *args, **kwargs) -> 'void'
- setKaAtom(self, *args, **kwargs) -> 'void'
- setKbAtom(self, *args, **kwargs) -> 'void'
- setKoAtom(self, *args, **kwargs) -> 'void'
- setMScale(self, *args, **kwargs) -> 'void'
- setNpc(self, *args, **kwargs) -> 'void'
- setPotType(self, *args, **kwargs) -> 'void'
- setRSwitch(self, *args, **kwargs) -> 'void'
- setRho0(self, *args, **kwargs) -> 'void'
- setRlxType(self, *args, **kwargs) -> 'void'
- setSbmfType(self, *args, **kwargs) -> 'void'
- setSclType(self, *args, **kwargs) -> 'void'
- setSel1Filter(self, *args, **kwargs) -> 'void'
- setSel2Filter(self, *args, **kwargs) -> 'void'
- setShowAllRestraints(self, *args, **kwargs) -> 'void'
- setSoftExp(self, *args, **kwargs) -> 'void'
- setSqn(self, *args, **kwargs) -> 'void'
- setTaAtom(self, *args, **kwargs) -> 'void'
- setTauC(self, val)
- setTauI(self, val)
- setTauR(self, *args, **kwargs) -> 'void'
- setTauT(self, val)
- setTauc(self, *args, **kwargs) -> 'void'
- setTaucAtoms(self, *args, **kwargs) -> 'void'
- setTaui(self, *args, **kwargs) -> 'void'
- setTauiAtoms(self, *args, **kwargs) -> 'void'
- setTaut(self, *args, **kwargs) -> 'void'
- setTautAtoms(self, *args, **kwargs) -> 'void'
- setTbAtom(self, *args, **kwargs) -> 'void'
- setTcMax(self, *args, **kwargs) -> 'void'
- setTcMin(self, *args, **kwargs) -> 'void'
- setTcType(self, val)
- setTiMax(self, *args, **kwargs) -> 'void'
- setTiMin(self, *args, **kwargs) -> 'void'
- setTiType(self, val)
- setToAtom(self, *args, **kwargs) -> 'void'
- setTtType(self, val)
- setUseDistMult(self, *args, **kwargs) -> 'void'
- setVerbose(self, *args, **kwargs) -> 'void'
- setWeightMax(self, *args, **kwargs) -> 'void'
- showAllRestraints(self, *args, **kwargs) -> 'bool const'
- showCurrentTaui(self, *args, **kwargs) -> 'void'
- showCurrentTaut(self, *args, **kwargs) -> 'void'
- showRestraints(self, *args, **kwargs) -> 'String'
- showViolations(self, *args, **kwargs) -> 'String'
- softExp(self, *args, **kwargs) -> 'float_type const'
- sqn(self, *args, **kwargs) -> 'float_type const'
- taAtom(self, *args, **kwargs) -> 'Atom const'
- tauc(self, *args, **kwargs) -> 'float_type'
- taui(self, *args, **kwargs) -> 'float_type'
- taur(self, *args, **kwargs) -> 'float_type const'
- taut(self, *args, **kwargs) -> 'float_type'
- tbAtom(self, *args, **kwargs) -> 'Atom const'
- tc(self, *args, **kwargs) -> 'double'
- tcMax(self, *args, **kwargs) -> 'float_type const'
- tcMin(self, *args, **kwargs) -> 'float_type const'
- tcOatom(self)
- tcType(self)
- tcXatom(self)
- tcYatom(self)
- ti(self, *args, **kwargs) -> 'double'
- tiMax(self, *args, **kwargs) -> 'float_type const'
- tiMin(self, *args, **kwargs) -> 'float_type const'
- tiOatom(self)
- tiType(self)
- tiXatom(self)
- tiYatom(self)
- toAtom(self, *args, **kwargs) -> 'Atom const'
- tt(self, *args, **kwargs) -> 'double'
- ttOatom(self)
- ttType(self)
- ttXatom(self)
- ttYatom(self)
- useDistMult(self, *args, **kwargs) -> 'bool const'
- verbose(self, *args, **kwargs) -> 'bool const'
- violations(self, *args, **kwargs) -> 'float_type'
- weightMax(self, *args, **kwargs) -> 'float_type const'
- weightedAveSqObs(self, *args, **kwargs) -> 'float_type'
- weightedQFactor(self, *args, **kwargs) -> 'float_type'
Static methods defined here:
- __swig_destroy__ = delete_PREPot_LetterClass(...)
Data descriptors defined here:
- ave_calcd
- ave_obs
- corr
- denom
- distMult_
- nCorr
- num
- sumCalcd2
- sumObs2
- thisown
The membership flag
Data and other attributes defined here:
- CONST = 0
- CORRELATION = 3
- FAST = 0
- HARD = 1
- HARMONIC = 1
- OBSIG = 2
- ONESIXTH = 2
- R1CURIE = 4
- R1DD = 3
- R1MIX = 5
- R2CURIE = 1
- R2DD = 0
- R2MIX = 2
- R_6 = 0
- SB = 0
- SBMF = 1
- SIGMA = 1
- SLOW = 1
- SOFT = 0
- SQUARE = 0
- SUM = 1
- TIMODE = 1
- TTMODE = 0
- ensembleSimulation = <module 'ensembleSimulation' from '/home/schwitr...-python3/bin.Linux_x86_64/ensembleSimulation.py'>
- # 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.
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'
- 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) -> 'EnsembleSimulationBase 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 PRERestraint(Restraint_PREPot) |
|
PRERestraint(*args)
|
|
- Method resolution order:
- PRERestraint
- Restraint_PREPot
- builtins.object
Methods defined here:
- __init__(self, *args)
- Initialize self. See help(type(self)) for accurate signature.
- __repr__ = _swig_repr(self)
- asString(self, *args, **kwargs) -> 'String'
- calcContrib(self, *args, **kwargs) -> 'void'
- calcGamma(self, *args, **kwargs) -> 'void'
- calcd(self, *args, **kwargs) -> 'float_type'
- calcd2(self, *args, **kwargs) -> 'float_type'
- comment(self, *args, **kwargs) -> 'String'
- contrib(self, *args, **kwargs) -> 'float_type'
- contribB(self, *args, **kwargs) -> 'float_type'
- deriv(self, *args, **kwargs) -> 'void'
- difAB(self, *args, **kwargs) -> 'float_type'
- dtdp(self, *args, **kwargs) -> 'void'
- emstatus(self, *args, **kwargs) -> 'PRERestraint::EmStatus'
- energy(self, *args, **kwargs) -> 'float_type'
- energyNonStereo(self, *args, **kwargs) -> 'float_type'
- err(self, *args, **kwargs) -> 'float_type'
- err2(self, *args, **kwargs) -> 'float_type'
- g(self)
- gB(self)
- gBSigma(self)
- gSigma(self)
- gamma(self)
- gammaB(self)
- isStereoAssigned(self, *args, **kwargs) -> 'bool const'
- kdfsb(self, *args, **kwargs) -> 'float_type'
- largeCalc(self, *args, **kwargs) -> 'float_type'
- largeObs(self, *args, **kwargs) -> 'float_type'
- obs(self, *args, **kwargs) -> 'float_type'
- obs2(self, *args, **kwargs) -> 'float_type'
- reff(self, *args, **kwargs) -> 'float_type'
- reffB(self, *args, **kwargs) -> 'float_type'
- s2(self, *args, **kwargs) -> 'float_type'
- s2B(self, *args, **kwargs) -> 'float_type'
- s2angular(self, *args, **kwargs) -> 'float_type'
- s2angularB(self, *args, **kwargs) -> 'float_type'
- s2radial(self, *args, **kwargs) -> 'float_type'
- s2radialB(self, *args, **kwargs) -> 'float_type'
- setClockDeriv(self, *args, **kwargs) -> 'void'
- setEmStatus(self, *args, **kwargs) -> 'void'
- setErr(self, *args, **kwargs) -> 'void'
- setIsStereoAssigned(self, *args, **kwargs) -> 'void'
- setMF(self, *args, **kwargs) -> 'void'
- setMF_contrib(self, *args, **kwargs) -> 'void'
- setObs(self, *args, **kwargs) -> 'void'
- setWF(self, val)
- setWeight(self, *args, **kwargs) -> 'void'
- smallCalc(self, *args, **kwargs) -> 'float_type'
- smallObs(self, *args, **kwargs) -> 'float_type'
- status(self, *args, **kwargs) -> 'PRERestraint::Status'
- sumAB(self, *args, **kwargs) -> 'float_type'
- sumTerms(self, *args, **kwargs) -> 'int'
- sumWeight(self, *args, **kwargs) -> 'float_type'
- weight(self, *args, **kwargs) -> 'float_type const'
Static methods defined here:
- __swig_destroy__ = delete_PRERestraint(...)
Data descriptors defined here:
- sel1
- sel2
- sel3
- sumList
- thisown
The membership flag
- verbose
Data and other attributes defined here:
- EM1 = 0
- EM2 = 1
- EM3 = 2
- FOR_TC = 0
- FOR_TI = 2
- FOR_TT = 1
- GREATER = 1
- INSIDE = 2
- LESS = 0
Methods inherited from Restraint_PREPot:
- 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_PREPot:
- __dict__
dictionary for instance variables (if defined)
- __weakref__
list of weak references to the object (if defined)
|
class Restraint_PREPot(builtins.object) |
|
Restraint_PREPot(*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_PREPot(...)
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_PRERestraint(builtins.object) |
|
rc_ptr_PRERestraint(*args)
|
|
Methods defined here:
- __deref__(self, *args, **kwargs) -> 'PRERestraint *'
- __init__(self, *args)
- Initialize self. See help(type(self)) for accurate signature.
- __ref__(self, *args, **kwargs) -> 'PRERestraint &'
- __repr__ = _swig_repr(self)
- asString(self, *args, **kwargs) -> 'String'
- calcContrib(self, *args, **kwargs) -> 'void'
- calcGamma(self, *args, **kwargs) -> 'void'
- calcd(self, *args, **kwargs) -> 'float_type'
- calcd2(self, *args, **kwargs) -> 'float_type'
- comment(self, *args, **kwargs) -> 'String'
- contrib(self, *args, **kwargs) -> 'float_type'
- contribB(self, *args, **kwargs) -> 'float_type'
- count(self, *args, **kwargs) -> 'int'
- decr(self, *args, **kwargs) -> 'void'
- deriv(self, *args, **kwargs) -> 'void'
- difAB(self, *args, **kwargs) -> 'float_type'
- diff(self, *args, **kwargs) -> 'float_type'
- dtdp(self, *args, **kwargs) -> 'void'
- emstatus(self, *args, **kwargs) -> 'PRERestraint::EmStatus'
- energy(self, *args, **kwargs) -> 'float_type'
- energyNonStereo(self, *args, **kwargs) -> 'float_type'
- err(self, *args, **kwargs) -> 'float_type'
- err2(self, *args, **kwargs) -> 'float_type'
- forceDelete(self, *args, **kwargs) -> 'void'
- g(self)
- gB(self)
- gBSigma(self)
- gSigma(self)
- gamma(self)
- gammaB(self)
- incr(self, *args, **kwargs) -> 'void'
- isStereoAssigned(self, *args, **kwargs) -> 'bool const'
- kdfsb(self, *args, **kwargs) -> 'float_type'
- largeCalc(self, *args, **kwargs) -> 'float_type'
- largeObs(self, *args, **kwargs) -> 'float_type'
- name(self, *args, **kwargs) -> 'String const'
- obs(self, *args, **kwargs) -> 'float_type'
- obs2(self, *args, **kwargs) -> 'float_type'
- ptr(self, *args, **kwargs) -> 'PRERestraint *'
- reff(self, *args, **kwargs) -> 'float_type'
- reffB(self, *args, **kwargs) -> 'float_type'
- release(self, *args, **kwargs) -> 'PRERestraint *'
- reset(self, *args, **kwargs) -> 'void'
- s2(self, *args, **kwargs) -> 'float_type'
- s2B(self, *args, **kwargs) -> 'float_type'
- s2angular(self, *args, **kwargs) -> 'float_type'
- s2angularB(self, *args, **kwargs) -> 'float_type'
- s2radial(self, *args, **kwargs) -> 'float_type'
- s2radialB(self, *args, **kwargs) -> 'float_type'
- setClockDeriv(self, *args, **kwargs) -> 'void'
- setEmStatus(self, *args, **kwargs) -> 'void'
- setErr(self, *args, **kwargs) -> 'void'
- setIsStereoAssigned(self, *args, **kwargs) -> 'void'
- setMF(self, *args, **kwargs) -> 'void'
- setMF_contrib(self, *args, **kwargs) -> 'void'
- setName(self, *args, **kwargs) -> 'void'
- setObs(self, *args, **kwargs) -> 'void'
- setWF(self, val)
- setWeight(self, *args, **kwargs) -> 'void'
- smallCalc(self, *args, **kwargs) -> 'float_type'
- smallObs(self, *args, **kwargs) -> 'float_type'
- status(self, *args, **kwargs) -> 'PRERestraint::Status'
- sumAB(self, *args, **kwargs) -> 'float_type'
- sumTerms(self, *args, **kwargs) -> 'int'
- sumWeight(self, *args, **kwargs) -> 'float_type'
- violated(self, *args, **kwargs) -> 'bool'
- weight(self, *args, **kwargs) -> 'float_type const'
Static methods defined here:
- __swig_destroy__ = delete_rc_ptr_PRERestraint(...)
Data descriptors defined here:
- __dict__
dictionary for instance variables (if defined)
- __weakref__
list of weak references to the object (if defined)
- sel1
- sel2
- sel3
- sumList
- thisown
The membership flag
- verbose
|
realPREPot = class PREPot(builtins.object) |
|
realPREPot(*args)
|
|
Methods defined here:
- AveSqObs(self, *args, **kwargs) -> 'float_type'
- Qfactor(self, *args, **kwargs) -> 'float_type'
- Rfactor(self, *args, **kwargs) -> 'float_type'
- __deref__(self, *args, **kwargs) -> 'PREPot *'
- __init__(self, *args)
- __oldinit__ = __init__(self, *args, **kwargs)
- __ref__(self, *args, **kwargs) -> 'PREPot &'
- __repr__ = _swig_repr(self)
- addEnsWeights(self, *args, **kwargs) -> 'void'
- addRestraints(self, *args, **kwargs) -> 'void'
- assignType(self)
- for backwards compatibility
- asympSlope(self, *args, **kwargs) -> 'float_type const'
- aveS2(self, *args, **kwargs) -> 'float_type'
- aveSize(self, *args, **kwargs) -> 'float_type const'
- aveType(self, *args, **kwargs) -> 'PREPot::PREAveType'
- calcEnergy(self, *args, **kwargs) -> 'float_type'
- calcEnergyAndDerivs(self, *args, **kwargs) -> 'float_type'
- calcWDerivs(self, *args, **kwargs) -> 'bool const'
- checkClockAtoms(self, *args, **kwargs) -> 'void'
- clearEnsWeights(self, *args, **kwargs) -> 'void'
- coeff(self, *args, **kwargs) -> 'double'
- coeff2(self, *args, **kwargs) -> 'double'
- correlation(self, *args, **kwargs) -> 'float_type'
- decrRefCnt(self, *args, **kwargs) -> 'void'
- distMult(self, *args, **kwargs) -> 'CDSMatrix< 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'
- ensInterconvert(self, *args, **kwargs) -> 'PREPot::PREEnsInterconvert const'
- ensWeight(self, *args, **kwargs) -> 'float_type'
- ensWeights(self, *args, **kwargs) -> 'CDSList< float_type >'
- ensWeightsInfo(self, *args, **kwargs) -> 'String'
- equType(self, *args, **kwargs) -> 'PREPot::PREEquType'
- expTemp(self, *args, **kwargs) -> 'float_type const'
- fixTauc(self, *args, **kwargs) -> 'bool const'
- fixTaui(self, *args, **kwargs) -> 'bool const'
- fixTaut(self, *args, **kwargs) -> 'bool const'
- force(self)
- freqI(self, *args, **kwargs) -> 'float_type const'
- funType(self, *args, **kwargs) -> 'PREPot::PREFunType const'
- gammaI(self, *args, **kwargs) -> 'float_type const'
- getEnsWeights(self, *args, **kwargs) -> 'CDSList< VarEnsWeights > &'
- gfac(self, *args, **kwargs) -> 'float_type const'
- hardExp(self, *args, **kwargs) -> 'float_type const'
- iaAtom(self, *args, **kwargs) -> 'Atom const'
- ibAtom(self, *args, **kwargs) -> 'Atom const'
- incrRefCnt(self, *args, **kwargs) -> 'void'
- info(self, *args, **kwargs) -> 'String'
- instanceData(self, *args, **kwargs) -> 'PyObject *'
- instanceName(self, *args, **kwargs) -> 'char const *'
- ioAtom(self, *args, **kwargs) -> 'Atom const'
- kForOpt(self, *args, **kwargs) -> 'double'
- kaAtom(self, *args, **kwargs) -> 'Atom const'
- kbAtom(self, *args, **kwargs) -> 'Atom const'
- koAtom(self, *args, **kwargs) -> 'Atom const'
- mScale(self, *args, **kwargs) -> 'float_type const'
- minS2(self, *args, **kwargs) -> 'float_type'
- mkSumRestraints(self, *args, **kwargs) -> 'void'
- npc(self, *args, **kwargs) -> 'int const'
- numRestraints(self, *args, **kwargs) -> 'int'
- potName(self, *args, **kwargs) -> 'char const *'
- potType(self, *args, **kwargs) -> 'PREPot::PREPotType'
- pyXplorHelp(self, *args, **kwargs) -> 'String'
- qFactor(self, *args, **kwargs) -> 'float_type'
- rFactor(self, *args, **kwargs) -> 'float_type'
- rSwitch(self, *args, **kwargs) -> 'float_type const'
- refCnt(self, *args, **kwargs) -> 'int'
- registerInstanceData(self, *args, **kwargs) -> 'void'
- registerTo(self, *args, **kwargs) -> 'void'
- removeRestraint(self, *args, **kwargs) -> 'void'
- resetInstanceName(self, *args, **kwargs) -> 'void'
- resetPotName(self, *args, **kwargs) -> 'void'
- restraints(self, *args, **kwargs) -> 'CDSList< CDS::rc_ptr< PRERestraint > >'
- restraintsSize(self, *args, **kwargs) -> 'int'
- rho0(self, *args, **kwargs) -> 'float_type const'
- rlxType(self, *args, **kwargs) -> 'PREPot::PRERlxType'
- rms(self, *args, **kwargs) -> 'float_type'
- sbmfType(self, *args, **kwargs) -> 'PREPot::PRESbmfType'
- scale(self, *args, **kwargs) -> 'float_type const'
- sclType(self, *args, **kwargs) -> 'PREPot::PRESclType'
- sel1Filter(self, *args, **kwargs) -> 'AtomSel const'
- sel2Filter(self, *args, **kwargs) -> 'AtomSel const'
- setAsympSlope(self, *args, **kwargs) -> 'void'
- setAveSize(self, *args, **kwargs) -> 'void'
- setAveType(self, *args, **kwargs) -> 'void'
- setCalcWDerivs(self, *args, **kwargs) -> 'void'
- setCoeff(self, *args, **kwargs) -> 'void'
- setDistMult(self, *args, **kwargs) -> 'void'
- setEnsInterconvert(self, *args, **kwargs) -> 'void'
- setEnsWeights(self, *args, **kwargs) -> 'void'
- setEquType(self, *args, **kwargs) -> 'void'
- setExpTemp(self, *args, **kwargs) -> 'void'
- setFixTauc(self, *args, **kwargs) -> 'void'
- setFixTaui(self, *args, **kwargs) -> 'void'
- setFixTaut(self, *args, **kwargs) -> 'void'
- setForce(self, val)
- setFreqI(self, *args, **kwargs) -> 'void'
- setFunType(self, *args, **kwargs) -> 'void'
- setGammaI(self, *args, **kwargs) -> 'void'
- setGfac(self, *args, **kwargs) -> 'void'
- setHardExp(self, *args, **kwargs) -> 'void'
- setIaAtom(self, *args, **kwargs) -> 'void'
- setIbAtom(self, *args, **kwargs) -> 'void'
- setIoAtom(self, *args, **kwargs) -> 'void'
- setKaAtom(self, *args, **kwargs) -> 'void'
- setKbAtom(self, *args, **kwargs) -> 'void'
- setKoAtom(self, *args, **kwargs) -> 'void'
- setMScale(self, *args, **kwargs) -> 'void'
- setNpc(self, *args, **kwargs) -> 'void'
- setPotType(self, *args, **kwargs) -> 'void'
- setRSwitch(self, *args, **kwargs) -> 'void'
- setRho0(self, *args, **kwargs) -> 'void'
- setRlxType(self, *args, **kwargs) -> 'void'
- setSbmfType(self, *args, **kwargs) -> 'void'
- setScale(self, *args, **kwargs) -> 'void'
- setSclType(self, *args, **kwargs) -> 'void'
- setSel1Filter(self, *args, **kwargs) -> 'void'
- setSel2Filter(self, *args, **kwargs) -> 'void'
- setShowAllRestraints(self, *args, **kwargs) -> 'void'
- setSoftExp(self, *args, **kwargs) -> 'void'
- setSqn(self, *args, **kwargs) -> 'void'
- setTaAtom(self, *args, **kwargs) -> 'void'
- setTauC(self, val)
- setTauI(self, val)
- setTauR(self, *args, **kwargs) -> 'void'
- setTauT(self, val)
- setTauc(self, *args, **kwargs) -> 'void'
- setTaucAtoms(self, *args, **kwargs) -> 'void'
- setTaui(self, *args, **kwargs) -> 'void'
- setTauiAtoms(self, *args, **kwargs) -> 'void'
- setTaut(self, *args, **kwargs) -> 'void'
- setTautAtoms(self, *args, **kwargs) -> 'void'
- setTbAtom(self, *args, **kwargs) -> 'void'
- setTcMax(self, *args, **kwargs) -> 'void'
- setTcMin(self, *args, **kwargs) -> 'void'
- setTcType(self, val)
- setThreshold(self, *args, **kwargs) -> 'void'
- setTiMax(self, *args, **kwargs) -> 'void'
- setTiMin(self, *args, **kwargs) -> 'void'
- setTiType(self, val)
- setToAtom(self, *args, **kwargs) -> 'void'
- setTtType(self, val)
- setUseDistMult(self, *args, **kwargs) -> 'void'
- setUseSimEnsWeights(self, *args, **kwargs) -> 'void'
- setVerbose(self, *args, **kwargs) -> 'void'
- setWeightMax(self, *args, **kwargs) -> 'void'
- showAllRestraints(self, *args, **kwargs) -> 'bool const'
- showCurrentTaui(self, *args, **kwargs) -> 'void'
- showCurrentTaut(self, *args, **kwargs) -> 'void'
- showRestraints(self, *args, **kwargs) -> 'String'
- showViolations(self, *args, **kwargs) -> 'String'
- simulation(self, *args) -> 'EnsembleSimulationBase const *'
- softExp(self, *args, **kwargs) -> 'float_type const'
- sqn(self, *args, **kwargs) -> 'float_type const'
- taAtom(self, *args, **kwargs) -> 'Atom const'
- tauc(self, *args, **kwargs) -> 'float_type'
- taui(self, *args, **kwargs) -> 'float_type'
- taur(self, *args, **kwargs) -> 'float_type const'
- taut(self, *args, **kwargs) -> 'float_type'
- tbAtom(self, *args, **kwargs) -> 'Atom const'
- tc(self, *args, **kwargs) -> 'double'
- tcMax(self, *args, **kwargs) -> 'float_type const'
- tcMin(self, *args, **kwargs) -> 'float_type const'
- tcOatom(self)
- tcType(self)
- tcXatom(self)
- tcYatom(self)
- threshold(self, *args, **kwargs) -> 'float_type const'
- ti(self, *args, **kwargs) -> 'double'
- tiMax(self, *args, **kwargs) -> 'float_type const'
- tiMin(self, *args, **kwargs) -> 'float_type const'
- tiOatom(self)
- tiType(self)
- tiXatom(self)
- tiYatom(self)
- toAtom(self, *args, **kwargs) -> 'Atom const'
- tt(self, *args, **kwargs) -> 'double'
- ttOatom(self)
- ttType(self)
- ttXatom(self)
- ttYatom(self)
- unRegister(self, *args, **kwargs) -> 'void'
- updateDelta(self, *args, **kwargs) -> 'void'
- updateEnsWeights(self, *args, **kwargs) -> 'void'
- updateValues(self, *args, **kwargs) -> 'void'
- useDistMult(self, *args, **kwargs) -> 'bool const'
- useSimEnsWeights(self, *args, **kwargs) -> 'bool const'
- verbose(self, *args, **kwargs) -> 'bool const'
- violations(self, *args, **kwargs) -> 'float_type'
- weightMax(self, *args, **kwargs) -> 'float_type const'
- weightedAveSqObs(self, *args, **kwargs) -> 'float_type'
- weightedQFactor(self, *args, **kwargs) -> 'float_type'
Static methods defined here:
- __swig_destroy__ = delete_PREPot(...)
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
- distMult_
- instanceDataCleanup
- instanceDataCreate
- instanceData_
- modified
- nCorr
- num
- registeredSimulations
- sumCalcd2
- sumObs2
- thisown
The membership flag
Data and other attributes defined here:
- ensembleSimulation = <module 'ensembleSimulation' from '/home/schwitr...-python3/bin.Linux_x86_64/ensembleSimulation.py'>
- # 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.
| |