Package interface :: Package force :: Package nonbonded :: Module SimpleFullForce :: Class GenericTopology
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Class GenericTopology

source code

object --+
         |
        GenericTopology

Instance Methods [hide private]
 
__setattr__(self, name, value)
x.__setattr__('name', value) <==> x.name = value
source code
 
__getattr__(self, name) source code
 
__init__(self, *args, **kwargs)
x.__init__(...) initializes x; see x.__class__.__doc__ for signature
source code
 
__repr__(self)
repr(x)
source code
 
__swig_destroy__(...)
 
__del__(self) source code
 
getVolume(self, *args) source code
 
rescaleVolume(self, *args) source code
 
uncacheCellList(self) source code
 
getDefaults(self, *args) source code
 
getBoundingbox(self, *args) source code
 
getBoundaryConditionsBox(self, *args) source code
 
minimalDifference(self, *args) source code
 
minimalPosition(self, *args) source code
 
checkMoleculePairDistances(self, *args) source code
 
minimalImage(self, *args) source code
 
_print(self, positions=None) source code
 
make(self, *args) source code
 
getScope(self) source code

Inherited from object: __delattr__, __format__, __getattribute__, __hash__, __new__, __reduce__, __reduce_ex__, __sizeof__, __str__, __subclasshook__

Static Methods [hide private]
 
getKeyword(...) source code
Class Variables [hide private]
  __swig_setmethods__ = {'LJScalingFactor': <built-in function G...
  __swig_getmethods__ = {'LJScalingFactor': <built-in function G...
  scope = _SimpleFullForce.cvar.GenericTopology_scope
  keyword = _SimpleFullForce.cvar.GenericTopology_keyword
Properties [hide private]
  LJScalingFactor
  angles
  atomTypes
  atoms
  bondRattleShakeConstraints
  bonds
  coulombScalingFactor
  degreesOfFreedom
  dihedrals
  doSCPISM
  exclude
  exclusions
  forceFieldFlag
  iSGNumMols
  implicitSolvent
  impropers
  isgLJParms
  lennardJonesParameters
  max
  min
  minimalMolecularDistances
  molecules
  rb_dihedrals
  time

Inherited from object: __class__

Method Details [hide private]

__setattr__(self, name, value)

source code 

x.__setattr__('name', value) <==> x.name = value

Overrides: object.__setattr__
(inherited documentation)

__init__(self, *args, **kwargs)
(Constructor)

source code 

x.__init__(...) initializes x; see x.__class__.__doc__ for signature

Overrides: object.__init__
(inherited documentation)

__repr__(self)
(Representation operator)

source code 

repr(x)

Overrides: object.__repr__
(inherited documentation)

Class Variable Details [hide private]

__swig_setmethods__

Value:
{'LJScalingFactor': <built-in function GenericTopology_LJScalingFactor\
_set>,
 'angles': <built-in function GenericTopology_angles_set>,
 'atomTypes': <built-in function GenericTopology_atomTypes_set>,
 'atoms': <built-in function GenericTopology_atoms_set>,
 'bondRattleShakeConstraints': <built-in function GenericTopology_bond\
RattleShakeConstraints_set>,
 'bonds': <built-in function GenericTopology_bonds_set>,
...

__swig_getmethods__

Value:
{'LJScalingFactor': <built-in function GenericTopology_LJScalingFactor\
_get>,
 'angles': <built-in function GenericTopology_angles_get>,
 'atomTypes': <built-in function GenericTopology_atomTypes_get>,
 'atoms': <built-in function GenericTopology_atoms_get>,
 'bondRattleShakeConstraints': <built-in function GenericTopology_bond\
RattleShakeConstraints_get>,
 'bonds': <built-in function GenericTopology_bonds_get>,
...

Property Details [hide private]

LJScalingFactor

Get Method:
_SimpleFullForce.GenericTopology_LJScalingFactor_get(...)
Set Method:
_SimpleFullForce.GenericTopology_LJScalingFactor_set(...)

angles

Get Method:
_SimpleFullForce.GenericTopology_angles_get(...)
Set Method:
_SimpleFullForce.GenericTopology_angles_set(...)

atomTypes

Get Method:
_SimpleFullForce.GenericTopology_atomTypes_get(...)
Set Method:
_SimpleFullForce.GenericTopology_atomTypes_set(...)

atoms

Get Method:
_SimpleFullForce.GenericTopology_atoms_get(...)
Set Method:
_SimpleFullForce.GenericTopology_atoms_set(...)

bondRattleShakeConstraints

Get Method:
_SimpleFullForce.GenericTopology_bondRattleShakeConstraints_get(...)
Set Method:
_SimpleFullForce.GenericTopology_bondRattleShakeConstraints_set(...)

bonds

Get Method:
_SimpleFullForce.GenericTopology_bonds_get(...)
Set Method:
_SimpleFullForce.GenericTopology_bonds_set(...)

coulombScalingFactor

Get Method:
_SimpleFullForce.GenericTopology_coulombScalingFactor_get(...)
Set Method:
_SimpleFullForce.GenericTopology_coulombScalingFactor_set(...)

degreesOfFreedom

Get Method:
_SimpleFullForce.GenericTopology_degreesOfFreedom_get(...)
Set Method:
_SimpleFullForce.GenericTopology_degreesOfFreedom_set(...)

dihedrals

Get Method:
_SimpleFullForce.GenericTopology_dihedrals_get(...)
Set Method:
_SimpleFullForce.GenericTopology_dihedrals_set(...)

doSCPISM

Get Method:
_SimpleFullForce.GenericTopology_doSCPISM_get(...)
Set Method:
_SimpleFullForce.GenericTopology_doSCPISM_set(...)

exclude

Get Method:
_SimpleFullForce.GenericTopology_exclude_get(...)
Set Method:
_SimpleFullForce.GenericTopology_exclude_set(...)

exclusions

Get Method:
_SimpleFullForce.GenericTopology_exclusions_get(...)
Set Method:
_SimpleFullForce.GenericTopology_exclusions_set(...)

forceFieldFlag

Get Method:
_SimpleFullForce.GenericTopology_forceFieldFlag_get(...)
Set Method:
_SimpleFullForce.GenericTopology_forceFieldFlag_set(...)

iSGNumMols

Get Method:
_SimpleFullForce.GenericTopology_iSGNumMols_get(...)
Set Method:
_SimpleFullForce.GenericTopology_iSGNumMols_set(...)

implicitSolvent

Get Method:
_SimpleFullForce.GenericTopology_implicitSolvent_get(...)
Set Method:
_SimpleFullForce.GenericTopology_implicitSolvent_set(...)

impropers

Get Method:
_SimpleFullForce.GenericTopology_impropers_get(...)
Set Method:
_SimpleFullForce.GenericTopology_impropers_set(...)

isgLJParms

Get Method:
_SimpleFullForce.GenericTopology_isgLJParms_get(...)
Set Method:
_SimpleFullForce.GenericTopology_isgLJParms_set(...)

lennardJonesParameters

Get Method:
_SimpleFullForce.GenericTopology_lennardJonesParameters_get(...)
Set Method:
_SimpleFullForce.GenericTopology_lennardJonesParameters_set(...)

max

Get Method:
_SimpleFullForce.GenericTopology_max_get(...)
Set Method:
_SimpleFullForce.GenericTopology_max_set(...)

min

Get Method:
_SimpleFullForce.GenericTopology_min_get(...)
Set Method:
_SimpleFullForce.GenericTopology_min_set(...)

minimalMolecularDistances

Get Method:
_SimpleFullForce.GenericTopology_minimalMolecularDistances_get(...)
Set Method:
_SimpleFullForce.GenericTopology_minimalMolecularDistances_set(...)

molecules

Get Method:
_SimpleFullForce.GenericTopology_molecules_get(...)
Set Method:
_SimpleFullForce.GenericTopology_molecules_set(...)

rb_dihedrals

Get Method:
_SimpleFullForce.GenericTopology_rb_dihedrals_get(...)
Set Method:
_SimpleFullForce.GenericTopology_rb_dihedrals_set(...)

time

Get Method:
_SimpleFullForce.GenericTopology_time_get(...)
Set Method:
_SimpleFullForce.GenericTopology_time_set(...)