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

Class FEPConfigDialog

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

Known Subclasses:

RESTFEPConfigDialog

Instance Methods

[hide private]

__init__(self, parent, title='', jobname='', checkcommand=None, use_rest=None, per_subjob=None, **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).

setupSubHostCombo(self, combo)
Add only GPU Hosts to the combo box input.

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

bool

validateSubHost(self)
Checks if the current SUBJOB Host is None - if so a warning dialog is posted to the user.

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.

buildLabel(self, layout, label)
Build a new QLabel if label is a str, and add the widget to the given layout.

buildLineEdit(self)
Build a QLineEdit with specific width and validator.

buildComboBox(self)
Build a QLineEdit with specific width and included options.

QtWidgets.QStackedWidget

addSubprocessStackedWidget(self, layout, prelabel, postlabel)
Add a stacked widget to the given layout with one widget being a lineedit with labels, and the other a combo box with labels.

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)

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

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

Inherited from ui.qt.appframework.ConfigDialog: activate, cpus3Edited, getTotalOpenMPCPUs, savePressed, setupHostCombo, showHelp, startPressed, updateOpenMPInfo, updateOpenMPLabel, updateQueueResources, validateAndAccept, validateNumOpenMP, warning

Inherited from ui.qt.appframework.ConfigDialog (private): _applySetting, _queueMemoryFixup, _queueWalltimeFixup, _selectComboText, _setupOpenMPWidgets, _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=None, per_subjob=None, **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. Setting this to True will show "Replica" options. Setting to False will set option multi_gpgpu_allowed to False. (This was done for backwards compatibility).
per_subjob (bool) - Whether to show per job CPUs field, or Total CPUs field. By default, per_subjob = not use_rest.

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)

setupSubHostCombo(self, combo)

Add only GPU Hosts to the combo box input. The combo box menu will be cleared first.

Parameters:

combo (QtWidgets.QComboBox) - combo box to append to.

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)

validateSubHost(self)

Checks if the current SUBJOB Host is None - if so a warning dialog is posted to the user.

Returns: bool: True if a subjob host is chosen, False if not.

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.

buildLabel(self, layout, label)

Build a new QLabel if label is a str, and add the widget to the given layout.

Parameters:

layout (QtWidgets.QLayout) - layout to which the stacked widget should be added.
label (string or QLabel) - the text or widget to add to layout.

addSubprocessStackedWidget(self, layout, prelabel, postlabel)

Add a stacked widget to the given layout with one widget being a lineedit with labels, and the other a combo box with labels.

Parameters:

layout (QtWidgets.QLayout) - layout to which the stacked widget should be added.
prelabel (str or QLabel) - text preceding the widgets added to the stacked widget.
postlabel (str or QLabel) - text following the widgets added to the stacked widget.

Returns: QtWidgets.QStackedWidget

the stacked widget containing the lineedit and combobox

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=None, per_subjob=None, **kw) (Constructor)

onHostMenuChanged(self, index)

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

setupSubHostCombo(self, combo)

validate(self)

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

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

validateSubHost(self)

currentHost(self, menu=None)

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

buildLabel(self, layout, label)

addSubprocessStackedWidget(self, layout, prelabel, postlabel)

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=None, per_subjob=None, **kw)
(Constructor)