Package schrodinger :: Package application :: Package desmond :: Module fep_gui :: Class FEPConfigDialog

Class FEPConfigDialog

 ui.qt.appframework.ConfigDialog --+        
                                   |        
ui.qt.appframework.GPGPUConfigDialog --+    
                                       |    
              gui.DesmondGuiConfigDialog --+
                                           |
                                          FEPConfigDialog

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).

validate(self)
Checks the panel to make sure settings are valid.

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

Inherited from ui.qt.appframework.ConfigDialog: activate, cpus3Edited, getTotalMPICPUs, savePressed, 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: CPU_UNIT_LABEL, GPU_UNIT_LABEL

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)

validate(self)

Checks the panel to make sure settings are valid. Return False if any validation test fails, otherwise return True.

Overrides: ui.qt.appframework.ConfigDialog.validate: (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

Class FEPConfigDialog

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

onHostMenuChanged(self, index)

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

validate(self)

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

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

currentHost(self, menu=None)

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

getSettings(self, extra_kws=None)

applySettings(self, settings)

addGPGPUTableToLayout(self, t)

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

init(self, parent, title="", jobname="", checkcommand=None, use_rest=False, **kw)
(Constructor)