Package schrodinger :: Package application :: Package jaguar :: Package gui :: Package tabs :: Package input_sub_tabs :: Module basis_set :: Class BasisSetSubTab

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Class BasisSetSubTab

PyQt4.QtGui.QWidget --+    
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base_sub_tab.BaseSubTab --+
                          |
                         BasisSetSubTab

An Input tab sub-tab for per-atom basis sets

See parent class for documentation on the class variables

Nested Classes

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type

TABLE_MODEL_CLASS
The class of the table model.

type

PROXY_MODEL_CLASS
The class of the proxy model.

Instance Methods

[hide private]

setup(self)
Sub-tab-specific initialization.

atomPicked(self, ws_atom_num)
Respond to the user picking a workspace atom

activate(self)
Activate the sub-tab, e.g., check the picking check box.

deactivate(self)
Deactivate the sub-tab, e.g., stop picking and/or uncheck the picking check box

saveSettings(self, jag_input, eid)
Save sub-tab settings for the specified entry into the given Jaguar handle.

loadSettings(self, jag_input, eid, title, struc)
Restore sub-tab settings from the Jaguar handle.

str or NoneType

validate(self)
Make sure that the sub-tab settings will allow a job to be run successfully.

bool

perAtomBasisSetsPresent(self)
Have any per-atom basis sets been set?

Inherited from base_sub_tab.BaseSubTab: __init__, emitAddMarker, emitCountChanged, emitRemoveMarker, emitSetMarkerHighlighting, reset, setActive, setDisplayedEids, updateEntryTitles, warning

Class Variables

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str NAME = "Per-Atom Basis"
The name of the tab.

module UI_MODULE = sub_tabs_ui.basis_set_ui
A module containing a Ui_Form for the sub tab

Instance Variables

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Inherited from base_sub_tab.BaseSubTab: addMarker, countChanged, removeMarker, setMarkerHighlighting

Method Details

[hide private]

setup(self)

Sub-tab-specific initialization. This function may be redefined in subclasses.

Overrides: base_sub_tab.BaseSubTab.setup: (inherited documentation)

atomPicked(self, ws_atom_num)

Respond to the user picking a workspace atom

Parameters:

ws_atom_num (int) - The atom number of the selected atom in the workspace structure

activate(self)

Activate the sub-tab, e.g., check the picking check box.

Overrides: base_sub_tab.BaseSubTab.activate: (inherited documentation)

deactivate(self)

Deactivate the sub-tab, e.g., stop picking and/or uncheck the picking check box

Overrides: base_sub_tab.BaseSubTab.deactivate: (inherited documentation)

saveSettings(self, jag_input, eid)

Save sub-tab settings for the specified entry into the given Jaguar handle. This function should be redefined in subclasses.

Parameters:

jag_input - The Jaguar handle to save settings into
eid - The entry id of the structure to save settings for

Overrides: base_sub_tab.BaseSubTab.saveSettings

(inherited documentation)

loadSettings(self, jag_input, eid, title, struc)

Restore sub-tab settings from the Jaguar handle. This function should be redefined in subclasses. Note that existing settings for the given entry id should be cleared before the new settings are loaded.

Parameters:

jag_input - The Jaguar handle to load settings from
eid - The entry id of the structure to load settings for
title - The title of the structure
struc - The structure that settings are being loaded for. Primarily intended for looking up atom names.

Overrides: base_sub_tab.BaseSubTab.loadSettings

(inherited documentation)

validate(self)

Make sure that the sub-tab settings will allow a job to be run successfully.

Returns: str or NoneType: If the validation passes, returns None. If the validation fails, returns a string that describes the error.
Overrides: base_sub_tab.BaseSubTab.validate: (inherited documentation)

perAtomBasisSetsPresent(self)

Have any per-atom basis sets been set?

Returns: bool: True if there are per-atom basis sets for any currently selected structures. False otherwise.