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- builtins.object
-
- CDSList_EEFxAtomEnergies
- CDSList_SelectionPair
- CDSList_VDW
- EEFxAtomEnergies
- EEFxPot
- EEFxPot_LetterClass
- EEFx_ElecPot
- EEFx_ElecPot_LetterClass
- EEFx_SolvPot
- EEFx_SolvPot_LetterClass
- EEFx_VDWPot
- EEFx_VDWPot_LetterClass
- Modified
- ModifiedBase
- Pair_AtomSel_AtomSel
- VDWBump
class CDSList_EEFxAtomEnergies(builtins.object) |
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CDSList_EEFxAtomEnergies(*args)
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Methods defined here:
- __delitem__(self, *args, **kwargs) -> 'void'
- __getitem__(self, *args) -> 'CDSList< EEFxAtomEnergies >'
- __getslice__(self, *args, **kwargs) -> 'CDSList< EEFxAtomEnergies >'
- __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_EEFxAtomEnergies(...)
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
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class CDSList_SelectionPair(builtins.object) |
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CDSList_SelectionPair(*args)
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Methods defined here:
- __delitem__(self, *args, **kwargs) -> 'void'
- __getitem__(self, *args) -> 'CDSList< EEFxPot::SelectionPair >'
- __getslice__(self, *args, **kwargs) -> 'CDSList< EEFxPot::SelectionPair >'
- __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_SelectionPair(...)
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
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class CDSList_VDW(builtins.object) |
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CDSList_VDW(*args)
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Methods defined here:
- __delitem__(self, *args, **kwargs) -> 'void'
- __getitem__(self, *args) -> 'CDSList< VDWBump >'
- __getslice__(self, *args, **kwargs) -> 'CDSList< VDWBump >'
- __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_VDW(...)
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
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class EEFxAtomEnergies(builtins.object) |
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EEFxAtomEnergies(*args, **kwargs)
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Methods defined here:
- __init__(self, *args, **kwargs)
- Initialize self. See help(type(self)) for accurate signature.
- __repr__ = _swig_repr(self)
- clear(self, *args, **kwargs) -> 'void'
Static methods defined here:
- __swig_destroy__ = delete_EEFxAtomEnergies(...)
Data descriptors defined here:
- Eelec
- Egc
- Eslv
- Evdw
- Evolt
- __dict__
dictionary for instance variables (if defined)
- __weakref__
list of weak references to the object (if defined)
- thisown
The membership flag
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class EEFxPot_LetterClass(builtins.object) |
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EEFxPot_LetterClass(*args, **kwargs)
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Methods defined here:
- IMMx(self, *args, **kwargs) -> 'bool'
- IMMx_GC(self, *args, **kwargs) -> 'bool'
- IMMx_bicelle(self, *args, **kwargs) -> 'bool'
- IMMx_micelle(self, *args, **kwargs) -> 'bool'
- IMMx_pore(self, *args, **kwargs) -> 'bool'
- IMMx_volt(self, *args, **kwargs) -> 'bool'
- __init__(self, *args, **kwargs)
- Initialize self. See help(type(self)) for accurate signature.
- __repr__ = _swig_repr(self)
- a(self, *args, **kwargs) -> 'float_type const'
- addSelectionPair(self, *args, **kwargs) -> 'void'
- atomEnergies(self, *args, **kwargs) -> 'CDSList< EEFxAtomEnergies > const &'
- atomInfo(self, *args, **kwargs) -> 'String'
- bicelleR(self, *args, **kwargs) -> 'float_type const'
- calcEnergy(self, *args, **kwargs) -> 'float_type'
- calcEnergyAndDerivs(self, *args, **kwargs) -> 'float_type'
- collectAtomEnergies(self, *args, **kwargs) -> 'bool const'
- cutoffDist(self, *args, **kwargs) -> 'float_type const'
- defaultSelection(self, *args, **kwargs) -> 'AtomSel'
- deleteSelectionPair(self, *args, **kwargs) -> 'void'
- e14Factor(self, *args, **kwargs) -> 'float_type const'
- elecPot_cxx(self, *args, **kwargs) -> 'rc_DerivedPot< EEFx_ElecPot >'
- moveTol(self, *args, **kwargs) -> 'float_type const'
- numRestraints(self, *args, **kwargs) -> 'int'
- numSelectionPairs(self, *args, **kwargs) -> 'int'
- poreR(self, *args, **kwargs) -> 'float_type const'
- printTotalE(self, *args, **kwargs) -> 'void'
- profileN(self, *args, **kwargs) -> 'int const'
- pyXplorHelp(self, *args, **kwargs) -> 'String'
- resetSelectionPairs(self, *args, **kwargs) -> 'void'
- restraints(self, *args, **kwargs) -> 'CDSList< VDWBump >'
- rms(self, *args, **kwargs) -> 'float_type'
- selectionPairEnergy(self, *args, **kwargs) -> 'float_type'
- selectionPairWeight(self, *args, **kwargs) -> 'float_type'
- selectionPairs(self, *args, **kwargs) -> 'CDSList< EEFxPot::SelectionPair > const &'
- setA(self, *args, **kwargs) -> 'void'
- setCollectAtomEnergies(self, *args, **kwargs) -> 'void'
- setCutoffDist(self, *args, **kwargs) -> 'void'
- setE14Factor(self, *args, **kwargs) -> 'void'
- setE14FullScale(self, *args, **kwargs) -> 'void'
- setGCconc(self, *args, **kwargs) -> 'void'
- setGCfraction(self, *args, **kwargs) -> 'void'
- setGCoffset(self, *args, **kwargs) -> 'void'
- setGCvalence(self, *args, **kwargs) -> 'void'
- setGCvoltage(self, *args, **kwargs) -> 'void'
- setIMMx(self, *args, **kwargs) -> 'void'
- setIMMx_GC(self, *args, **kwargs) -> 'void'
- setIMMx_bicelle(self, *args, **kwargs) -> 'void'
- setIMMx_micelle(self, *args, **kwargs) -> 'void'
- setIMMx_pore(self, *args, **kwargs) -> 'void'
- setIMMx_volt(self, *args, **kwargs) -> 'void'
- setMicelleX(self, *args, **kwargs) -> 'void'
- setMicelleY(self, *args, **kwargs) -> 'void'
- setMicelleZ(self, *args, **kwargs) -> 'void'
- setMoveTol(self, *args, **kwargs) -> 'void'
- setPoreR(self, *args, **kwargs) -> 'void'
- setProfileN(self, *args, **kwargs) -> 'void'
- setSelectionPairWeight(self, *args, **kwargs) -> 'void'
- setTemperature(self, *args, **kwargs) -> 'void'
- setThickness(self, *args, **kwargs) -> 'void'
- setThreshold(self, *args, **kwargs) -> 'void'
- setVerbose(self, *args, **kwargs) -> 'void'
- setbicelleR(self, *args, **kwargs) -> 'void'
- showParam(self, *args, **kwargs) -> 'String'
- simulation(self, *args, **kwargs) -> 'Simulation *'
- solvPot_cxx(self, *args, **kwargs) -> 'rc_DerivedPot< EEFx_SolvPot >'
- testGroupCutoffDist(self, *args, **kwargs) -> 'bool'
- thickness(self, *args, **kwargs) -> 'float_type const'
- threshold(self, *args, **kwargs) -> 'float_type const'
- updateValues(self, *args, **kwargs) -> 'void'
- useCDIE(self, *args, **kwargs) -> 'void'
- useGROUp(self, *args, **kwargs) -> 'void'
- vdwPot_cxx(self, *args, **kwargs) -> 'rc_DerivedPot< EEFx_VDWPot >'
- verbose(self, *args, **kwargs) -> 'bool const'
- violations(self, *args, **kwargs) -> 'float_type'
Static methods defined here:
- __swig_destroy__ = delete_EEFxPot_LetterClass(...)
Readonly properties defined here:
- elecPot_member
- numAtoms
- solvPot_member
- vdwPot_member
Data descriptors defined here:
- E14FullScale
- IMMx_bicelle_
- IMMx_micelle_
- IMMx_pore_
- __dict__
dictionary for instance variables (if defined)
- __weakref__
list of weak references to the object (if defined)
- elecEnergy
- gcEnergy
- selPairEnergies
- selPairIncludeA
- selPairIncludeB
- selPairWeights
- selPairs
- solvEnergy
- staleGradient
- thisown
The membership flag
- vdwEnergy
- voltEnergy
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class EEFx_ElecPot_LetterClass(builtins.object) |
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EEFx_ElecPot_LetterClass(*args, **kwargs)
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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'
- numRestraints(self, *args, **kwargs) -> 'int'
- pyXplorHelp(self, *args, **kwargs) -> 'String'
- rms(self, *args, **kwargs) -> 'float_type'
- violations(self, *args, **kwargs) -> 'float_type'
Static methods defined here:
- __swig_destroy__ = delete_EEFx_ElecPot_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
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class EEFx_SolvPot_LetterClass(builtins.object) |
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EEFx_SolvPot_LetterClass(*args, **kwargs)
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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'
- numRestraints(self, *args, **kwargs) -> 'int'
- pyXplorHelp(self, *args, **kwargs) -> 'String'
- rms(self, *args, **kwargs) -> 'float_type'
- violations(self, *args, **kwargs) -> 'float_type'
Static methods defined here:
- __swig_destroy__ = delete_EEFx_SolvPot_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
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class EEFx_VDWPot_LetterClass(builtins.object) |
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EEFx_VDWPot_LetterClass(*args, **kwargs)
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Methods defined here:
- __init__(self, *args, **kwargs)
- Initialize self. See help(type(self)) for accurate signature.
- __repr__ = _swig_repr(self)
- bumps(self, *args, **kwargs) -> 'CDSList< VDWBump >'
- calcEnergy(self, *args, **kwargs) -> 'float_type'
- calcEnergyAndDerivs(self, *args, **kwargs) -> 'float_type'
- findAtomBumps(self, *args, **kwargs) -> 'void'
- numRestraints(self, *args, **kwargs) -> 'int'
- pyXplorHelp(self, *args, **kwargs) -> 'String'
- restraints(self, *args, **kwargs) -> 'CDSList< VDWBump >'
- rms(self, *args, **kwargs) -> 'float_type'
- violations(self, *args, **kwargs) -> 'float_type'
Static methods defined here:
- __swig_destroy__ = delete_EEFx_VDWPot_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
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class Modified(builtins.object) |
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Modified(*args, **kwargs)
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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
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class ModifiedBase(builtins.object) |
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ModifiedBase(*args, **kwargs)
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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
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class Pair_AtomSel_AtomSel(builtins.object) |
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Pair_AtomSel_AtomSel(*args)
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Methods defined here:
- __eq__(self, *args, **kwargs) -> 'bool'
- Return self==value.
- __init__(self, *args)
- Initialize self. See help(type(self)) for accurate signature.
- __repr__ = _swig_repr(self)
Static methods defined here:
- __swig_destroy__ = delete_Pair_AtomSel_AtomSel(...)
Data descriptors defined here:
- __dict__
dictionary for instance variables (if defined)
- __weakref__
list of weak references to the object (if defined)
- a
- b
- thisown
The membership flag
Data and other attributes defined here:
- __hash__ = None
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class VDWBump(builtins.object) |
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VDWBump(*args)
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Methods defined here:
- __init__(self, *args)
- Initialize self. See help(type(self)) for accurate signature.
- __repr__ = _swig_repr(self)
- diff(self, *args, **kwargs) -> 'float_type'
- name(self, *args, **kwargs) -> 'String'
- violated(self, *args, **kwargs) -> 'bool'
Static methods defined here:
- __swig_destroy__ = delete_VDWBump(...)
Data descriptors defined here:
- __dict__
dictionary for instance variables (if defined)
- __weakref__
list of weak references to the object (if defined)
- atomi
- atomj
- dist
- dist0
- energy
- thisown
The membership flag
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realEEFxPot = class EEFxPot(builtins.object) |
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realEEFxPot(*args)
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Methods defined here:
- IMMx(self, *args, **kwargs) -> 'bool'
- IMMx_GC(self, *args, **kwargs) -> 'bool'
- IMMx_bicelle(self, *args, **kwargs) -> 'bool'
- IMMx_micelle(self, *args, **kwargs) -> 'bool'
- IMMx_pore(self, *args, **kwargs) -> 'bool'
- IMMx_volt(self, *args, **kwargs) -> 'bool'
- __deref__(self, *args, **kwargs) -> 'EEFxPot *'
- __init__(self, *args)
- __oldinit__ = __init__(self, *args, **kwargs)
- __ref__(self, *args, **kwargs) -> 'EEFxPot &'
- __repr__ = _swig_repr(self)
- a(self, *args, **kwargs) -> 'float_type const'
- addSelectionPair(self, *args, **kwargs) -> 'void'
- atomEnergies(self, *args, **kwargs) -> 'CDSList< EEFxAtomEnergies > const &'
- atomInfo(self, *args, **kwargs) -> 'String'
- bicelleR(self, *args, **kwargs) -> 'float_type const'
- calcEnergy(self, *args, **kwargs) -> 'float_type'
- calcEnergyAndDerivs(self, *args, **kwargs) -> 'float_type'
- collectAtomEnergies(self, *args, **kwargs) -> 'bool const'
- cutoffDist(self, *args, **kwargs) -> 'float_type const'
- decrRefCnt(self, *args, **kwargs) -> 'void'
- defaultSelection(self, *args, **kwargs) -> 'AtomSel'
- deleteSelectionPair(self, *args, **kwargs) -> 'void'
- e14Factor(self, *args, **kwargs) -> 'float_type const'
- elecPot(self)
- elecPot_cxx(self, *args, **kwargs) -> 'rc_DerivedPot< EEFx_ElecPot >'
- incrRefCnt(self, *args, **kwargs) -> 'void'
- instanceData(self, *args, **kwargs) -> 'PyObject *'
- instanceName(self, *args, **kwargs) -> 'char const *'
- moveTol(self, *args, **kwargs) -> 'float_type const'
- numRestraints(self, *args, **kwargs) -> 'int'
- numSelectionPairs(self, *args, **kwargs) -> 'int'
- poreR(self, *args, **kwargs) -> 'float_type const'
- potName(self, *args, **kwargs) -> 'char const *'
- printTotalE(self, *args, **kwargs) -> 'void'
- profileN(self, *args, **kwargs) -> 'int 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'
- resetSelectionPairs(self, *args, **kwargs) -> 'void'
- restraints(self, *args, **kwargs) -> 'CDSList< VDWBump >'
- rms(self, *args, **kwargs) -> 'float_type'
- scale(self, *args, **kwargs) -> 'float_type const'
- selectionPairEnergy(self, *args, **kwargs) -> 'float_type'
- selectionPairWeight(self, *args, **kwargs) -> 'float_type'
- selectionPairs(self, *args, **kwargs) -> 'CDSList< EEFxPot::SelectionPair > const &'
- setA(self, *args, **kwargs) -> 'void'
- setCollectAtomEnergies(self, *args, **kwargs) -> 'void'
- setCutoffDist(self, *args, **kwargs) -> 'void'
- setE14Factor(self, *args, **kwargs) -> 'void'
- setE14FullScale(self, *args, **kwargs) -> 'void'
- setGCconc(self, *args, **kwargs) -> 'void'
- setGCfraction(self, *args, **kwargs) -> 'void'
- setGCoffset(self, *args, **kwargs) -> 'void'
- setGCvalence(self, *args, **kwargs) -> 'void'
- setGCvoltage(self, *args, **kwargs) -> 'void'
- setIMMx(self, *args, **kwargs) -> 'void'
- setIMMx_GC(self, *args, **kwargs) -> 'void'
- setIMMx_bicelle(self, *args, **kwargs) -> 'void'
- setIMMx_micelle(self, *args, **kwargs) -> 'void'
- setIMMx_pore(self, *args, **kwargs) -> 'void'
- setIMMx_volt(self, *args, **kwargs) -> 'void'
- setMicelleX(self, *args, **kwargs) -> 'void'
- setMicelleY(self, *args, **kwargs) -> 'void'
- setMicelleZ(self, *args, **kwargs) -> 'void'
- setMoveTol(self, *args, **kwargs) -> 'void'
- setPoreR(self, *args, **kwargs) -> 'void'
- setProfileN(self, *args, **kwargs) -> 'void'
- setScale(self, *args, **kwargs) -> 'void'
- setSelectionPairWeight(self, *args, **kwargs) -> 'void'
- setTemperature(self, *args, **kwargs) -> 'void'
- setThickness(self, *args, **kwargs) -> 'void'
- setThreshold(self, *args, **kwargs) -> 'void'
- setVerbose(self, *args, **kwargs) -> 'void'
- setbicelleR(self, *args, **kwargs) -> 'void'
- showParam(self, *args, **kwargs) -> 'String'
- simulation(self, *args, **kwargs) -> 'Simulation *'
- solvPot(self)
- solvPot_cxx(self, *args, **kwargs) -> 'rc_DerivedPot< EEFx_SolvPot >'
- testGroupCutoffDist(self, *args, **kwargs) -> 'bool'
- thickness(self, *args, **kwargs) -> 'float_type const'
- threshold(self, *args, **kwargs) -> 'float_type const'
- unRegister(self, *args, **kwargs) -> 'void'
- updateDelta(self, *args, **kwargs) -> 'void'
- updateValues(self, *args, **kwargs) -> 'void'
- useCDIE(self, *args, **kwargs) -> 'void'
- useGROUp(self, *args, **kwargs) -> 'void'
- vdwPot(self)
- vdwPot_cxx(self, *args, **kwargs) -> 'rc_DerivedPot< EEFx_VDWPot >'
- verbose(self, *args, **kwargs) -> 'bool const'
- violations(self, *args, **kwargs) -> 'float_type'
Static methods defined here:
- __swig_destroy__ = delete_EEFxPot(...)
Readonly properties defined here:
- elecPot_member
- numAtoms
- solvPot_member
- vdwPot_member
Data descriptors defined here:
- E14FullScale
- IMMx_bicelle_
- IMMx_micelle_
- IMMx_pore_
- __dict__
dictionary for instance variables (if defined)
- __weakref__
list of weak references to the object (if defined)
- elecEnergy
- gcEnergy
- instanceDataCleanup
- instanceDataCreate
- instanceData_
- modified
- registeredSimulations
- selPairEnergies
- selPairIncludeA
- selPairIncludeB
- selPairWeights
- selPairs
- solvEnergy
- staleGradient
- thisown
The membership flag
- vdwEnergy
- voltEnergy
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realEEFx_ElecPot = class EEFx_ElecPot(builtins.object) |
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realEEFx_ElecPot(*args)
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Methods defined here:
- __deref__(self, *args, **kwargs) -> 'EEFx_ElecPot *'
- __init__(self, *args)
- __oldinit__ = __init__(self, *args, **kwargs)
- __ref__(self, *args, **kwargs) -> 'EEFx_ElecPot &'
- __repr__ = _swig_repr(self)
- calcEnergy(self, *args, **kwargs) -> 'float_type'
- calcEnergyAndDerivs(self, *args, **kwargs) -> 'float_type'
- decrRefCnt(self, *args, **kwargs) -> 'void'
- incrRefCnt(self, *args, **kwargs) -> 'void'
- instanceData(self, *args, **kwargs) -> 'PyObject *'
- instanceName(self, *args, **kwargs) -> 'char 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'
- 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_EEFx_ElecPot(...)
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
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realEEFx_SolvPot = class EEFx_SolvPot(builtins.object) |
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realEEFx_SolvPot(*args)
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Methods defined here:
- __deref__(self, *args, **kwargs) -> 'EEFx_SolvPot *'
- __init__(self, *args)
- __oldinit__ = __init__(self, *args, **kwargs)
- __ref__(self, *args, **kwargs) -> 'EEFx_SolvPot &'
- __repr__ = _swig_repr(self)
- calcEnergy(self, *args, **kwargs) -> 'float_type'
- calcEnergyAndDerivs(self, *args, **kwargs) -> 'float_type'
- decrRefCnt(self, *args, **kwargs) -> 'void'
- incrRefCnt(self, *args, **kwargs) -> 'void'
- instanceData(self, *args, **kwargs) -> 'PyObject *'
- instanceName(self, *args, **kwargs) -> 'char 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'
- 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_EEFx_SolvPot(...)
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
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realEEFx_VDWPot = class EEFx_VDWPot(builtins.object) |
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realEEFx_VDWPot(*args)
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Methods defined here:
- __deref__(self, *args, **kwargs) -> 'EEFx_VDWPot *'
- __init__(self, *args)
- __oldinit__ = __init__(self, *args, **kwargs)
- __ref__(self, *args, **kwargs) -> 'EEFx_VDWPot &'
- __repr__ = _swig_repr(self)
- bumps(self, *args, **kwargs) -> 'CDSList< VDWBump >'
- calcEnergy(self, *args, **kwargs) -> 'float_type'
- calcEnergyAndDerivs(self, *args, **kwargs) -> 'float_type'
- decrRefCnt(self, *args, **kwargs) -> 'void'
- findAtomBumps(self, *args, **kwargs) -> 'void'
- incrRefCnt(self, *args, **kwargs) -> 'void'
- instanceData(self, *args, **kwargs) -> 'PyObject *'
- instanceName(self, *args, **kwargs) -> 'char 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< VDWBump >'
- 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_EEFx_VDWPot(...)
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
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