Package schrodinger :: Package application :: Package desmond :: Module gui :: Class EnsembleTab

Class EnsembleTab

object --+    
         |    
  _MdcBase --+
             |
            EnsembleTab

Frame for the Ensemble tab of the Advanced Options dialog.

Instance Methods

[hide private]

__init__(self, master, key, is_annealing, ui)
x.__init__(...) initializes x; see help(type(x)) for signature

getBaroMethod(self)

setBaroMethod(self, method)

getThermoMethod(self)

setThermoMethod(self, method)

baroMethodChanged(self, index)

thermoMethodChanged(self, index)

setBaroStyle(self, style)

checkValidity(self)
Checks if all widgets have valid values.

updateKey(self, key)

updateFromKey(self, key)

resetEnsClass(self, ens_class)

numGroupsChanged(self, ignored=None)

resetThermoTemp(self, t)

Inherited from _MdcBase: add, hasWidget, refresh, remove

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

Class Variables

[hide private]

STYLE_NAMEMAP = {'Anisotropic': 'anisotropic', 'Constant area'...

METHOD_NAMEMAP = {'Berendsen': 'Berendsen', 'Langevin': 'Lange...

Properties

[hide private]

Inherited from object: __class__

Method Details

[hide private]

init(self, master, key, is_annealing, ui)
(Constructor)

x.__init__(...) initializes x; see help(type(x)) for signature

Overrides: object.__init__: (inherited documentation)

checkValidity(self)

Checks if all widgets have valid values. If a widget with invalid value was encountered, then returns string that describes the problem. Returns None if there are no issues.

Overrides: _MdcBase.checkValidity

updateKey(self, key)

Overrides: _MdcBase.updateKey

updateFromKey(self, key)

Overrides: _MdcBase.updateFromKey

Class Variable Details

[hide private]

STYLE_NAMEMAP

Value:

{'Anisotropic': 'anisotropic',
 'Constant area': 'constant_area',
 'Isotropic': 'isotropic',
 'Semi-isotropic': 'semi_isotropic',
 'anisotropic': 'Anisotropic',
 'constant_area': 'Constant area',
 'isotropic': 'Isotropic',
 'semi_isotropic': 'Semi-isotropic'}

METHOD_NAMEMAP

Value:

{'Berendsen': 'Berendsen',
 'Langevin': 'Langevin',
 'MTK': 'Nose-Hoover chain',
 'NH': 'Nose-Hoover chain'}

Class EnsembleTab

__init__(self, master, key, is_annealing, ui) (Constructor)

checkValidity(self)

updateKey(self, key)

updateFromKey(self, key)

STYLE_NAMEMAP

METHOD_NAMEMAP

init(self, master, key, is_annealing, ui)
(Constructor)