Package Pmv :: Module amberCommands :: Class SetupAmber94
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Class SetupAmber94

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ViewerFramework.VFCommand.Command --+    
                                    |    
                  mvCommand.MVCommand --+
                                        |
                                       SetupAmber94

This command creates an instance of Amber94 class and enters it in Amber94Config dictionary with specified name as the key. The Amber94 instance requires a Parm instance, which can be built from scratch or readin from a file.
    
Package : Pmv
    
Module  : amberCommands
    
Class   : SetupAmber94
    
Command : setupAmber94
    
Synopsis:

    None<-setup_Amber94(chains, key, filename=None, dataDict={}, **kw)

    
Arguments:

    chains --- atoms to be minimized

    key --- identifier to be key for this Amber94 instance in Amber94Config dictionary

    filename --- optional filename to read in for prmtop

    dataDict --- optional dictionary of parameter data to use for Parm instance

    



Instance Methods [hide private]
  __init__(self)
  __call__(self, chains, key, filename=None, dataDict={}, **kw)
None<---setup_Amber94(chains, key, filename=None, dataDict={}, **kw)
  doit(self, chains, key, **kw)
virtual method.
  getFile(self, event=None)
  guiCallback(self)
  setData(self, event=None)

Inherited from mvCommand.MVCommand: strArg

Inherited from mvCommand.MVCommand (private): _strArg

Inherited from ViewerFramework.VFCommand.Command: __repr__, addCallbackAfter, addCallbackBefore, addUndoCall, afterDoit, beforeDoit, buildFormDescr, buildLogArgList, checkDependencies, cleanup, customizeGUI, doitWrapper, getArguments, getHelp, getLastUsedValues, getLogArgs, getValNamedArgs, log, logString, onAddCmdToViewer, onAddNewCmd, onCmdRun, setLastUsedValues, setupUndoAfter, setupUndoBefore, showForm, tkCb, updateGeom, warningMsg


Class Variables [hide private]

Inherited from ViewerFramework.VFCommand.Command: negateKw, objArgOnly


Method Details [hide private]

__init__(self)
(Constructor)

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None
Overrides: mvCommand.MVCommand.__init__

__call__(self, chains, key, filename=None, dataDict={}, **kw)
(Call operator)

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None<---setup_Amber94(chains, key, filename=None, dataDict={}, **kw)

chains --- atoms to be minimized

key --- identifier to be key for this Amber94 instance in Amber94Config dictionary

filename --- optional filename to read in for prmtop

dataDict --- optional dictionary of parameter data to use for Parm instance
Overrides: ViewerFramework.VFCommand.Command.__call__

doit(self, chains, key, **kw)

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virtual method. Has to be implemented by the sub classes
Overrides: ViewerFramework.VFCommand.Command.doit
(inherited documentation)

getFile(self, event=None)

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None

guiCallback(self)

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None
Overrides: mvCommand.MVCommand.guiCallback

setData(self, event=None)

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None