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2014-2 Schrodinger Python API
Package schrodinger :: Package application :: Package desmond :: Module fep_gui :: Class FEPConfigDialog
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Class FEPConfigDialog

 ui.qt.appframework.ConfigDialog --+        
                                   |        
ui.qt.appframework.GPGPUConfigDialog --+    
                                       |    
              gui.DesmondGuiConfigDialog --+
                                           |
                                          FEPConfigDialog
Known Subclasses:
Instance Methods [hide private]
 
__init__(self, parent, title='', jobname='', checkcommand=None, use_rest=False, **kw)
See class docstring.
 
onHostMenuChanged(self, index)
 
updateNumCPUsLabel(self)
We update the label here, if present.
 
getHosts(self, ncpus=True, excludeGPGPUs=False)
Returns list of host entries from appropriate schrodinger.hosts file, with parenthetical entry of the number of available processors (if 'ncpus' is True).
 
validateNumCpus(self, host, editfield, silent=False)
Validate number of CPUs
 
validateNumGpus(self, host, editfield, silent=False)
Validate number of GPUs
 
currentHost(self, menu=None)
See ConfigDialog.currentHost() docstring.
 
addNumericLineEdit(self, layout, prelabel=None, postlabel=None)
Creates a standard line edit used for input, adds it to the provided layout, and then returns the line edit so that it can be stored and its value accessed later.
 
getSettings(self, extra_kws=None)
Return dialog state by saving the state of the checkbox and then calling the base class
 
applySettings(self, settings)
See parent class docstring
 
addGPGPUTableToLayout(self, t)
Overridden to place table differently later
 
addAutoGpuCbToLayout(self, layout=None, count=None)
 
updateMaxjobsDefault(self, index)

Inherited from gui.DesmondGuiConfigDialog: addGPGPUGroupToLayout, autoGpuToggled, checkGPGPUSelection, onGpuTableChanged, setupGPGPUTable, setupHostLayout, validateNumProcs

Inherited from ui.qt.appframework.GPGPUConfigDialog: createGPGPUTable, getCheckedGPGPUIDs, getHostType, isCPUHost, isGPUHost, setCheckedGPGPUIDs, validate

Inherited from ui.qt.appframework.ConfigDialog: activate, cpus3Edited, getTotalMPICPUs, savePressed, setParentJobname, setupHostCombo, showHelp, startPressed, updateMPIInfo, updateMPILabel, updateQueueResources, validateAndAccept, validateNumMPI, warning

Inherited from ui.qt.appframework.ConfigDialog (private): _applySetting, _queueMemoryFixup, _queueWalltimeFixup, _selectComboText, _setupMPIWidgets, _setupQueueWidgets, _stripProcs, _updateQArgs, _validateNumProcs

Class Methods [hide private]

Inherited from ui.qt.appframework.ConfigDialog: getGPGPUs

Inherited from ui.qt.appframework.ConfigDialog (private): _getLocalGPGPUs, _getRemoteGPGPUs

Class Variables [hide private]

Inherited from gui.DesmondGuiConfigDialog: no_gpgpu_warning

Inherited from ui.qt.appframework.GPGPUConfigDialog: local_no_gpgpu_warning

Inherited from ui.qt.appframework.ConfigDialog: CANCEL, CPU_UNIT_LABEL, GPU_UNIT_LABEL, HELP, SAVE, START

Method Details [hide private]

__init__(self, parent, title='', jobname='', checkcommand=None, use_rest=False, **kw)
(Constructor)

 

See class docstring. Raises an Exception if the disposition specified as the default is not recognized.

If pre_close_command is specified, it will be run when the user presses the Start button. The dialog is only closed if that function returns 0.

Parameters:
  • use_rest (bool) - specifies whether this is a FEP/REST job or not. FEP/REST jobs may run on multiple GPUs, otherwise, GPUs are limited to 1
Overrides: ui.qt.appframework.ConfigDialog.__init__

onHostMenuChanged(self, index)

 
Overrides: ui.qt.appframework.GPGPUConfigDialog.onHostMenuChanged

getHosts(self, ncpus=True, excludeGPGPUs=False)

 

Returns list of host entries from appropriate schrodinger.hosts file, with parenthetical entry of the number of available processors (if 'ncpus' is True). If excludeGPGPUs is True, hosts with GPGPUs will be excluded from the list

Overrides: ui.qt.appframework.ConfigDialog.getHosts
(inherited documentation)

validateNumCpus(self, host, editfield, silent=False)

 

Validate number of CPUs

Parameters:
  • host - the host on which the CPUs reside
  • editfield - widget specifying the number of CPUs
  • silent - suppresses warning dialogs when set to True
Overrides: ui.qt.appframework.ConfigDialog.validateNumCpus
(inherited documentation)

validateNumGpus(self, host, editfield, silent=False)

 

Validate number of GPUs

Parameters:
  • host - the host on which the GPUs reside
  • editfield - widget specifying the number of GPUs
  • silent - suppresses warning dialogs when set to True
Overrides: ui.qt.appframework.ConfigDialog.validateNumGpus
(inherited documentation)

currentHost(self, menu=None)

 

See ConfigDialog.currentHost() docstring.

Overrides: ui.qt.appframework.ConfigDialog.currentHost

addNumericLineEdit(self, layout, prelabel=None, postlabel=None)

 

Creates a standard line edit used for input, adds it to the provided layout, and then returns the line edit so that it can be stored and its value accessed later.

@type prelabel string or QLabel @type postlabel string or QLabel

If prelabel or postlabel are strings, QLabels with the textual value will be created

getSettings(self, extra_kws=None)

 

Return dialog state by saving the state of the checkbox and then calling the base class

Overrides: ui.qt.appframework.ConfigDialog.getSettings

applySettings(self, settings)

 

See parent class docstring

Parameters:
  • settings - saved dialog settings
Overrides: ui.qt.appframework.ConfigDialog.applySettings

addGPGPUTableToLayout(self, t)

 

Overridden to place table differently later

Overrides: ui.qt.appframework.GPGPUConfigDialog.addGPGPUTableToLayout

addAutoGpuCbToLayout(self, layout=None, count=None)

 
Overrides: gui.DesmondGuiConfigDialog.addAutoGpuCbToLayout

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2014-2 Schrodinger Python API
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