schrodinger.application.jaguar.gui.tabs.irc_tab module

class schrodinger.application.jaguar.gui.tabs.irc_tab.IrcTab(parent, input_selector=None)

Bases: schrodinger.application.jaguar.gui.tabs.multi_structure_tab.MultiStructureTab

NAME = 'IRC'
HELP_TOPIC = 'JAGUAR_TOPIC_IRC_FOLDER'
UI_MODULES = (<module 'schrodinger.application.jaguar.gui.ui.irc_top_ui' from '/scr/buildbot/savedbuilds/2018-2/NB/build-169/internal/lib/python3.6/site-packages/schrodinger/application/jaguar/gui/ui/irc_top_ui.py'>, <module 'schrodinger.application.jaguar.gui.ui.multi_structures_ui' from '/scr/buildbot/savedbuilds/2018-2/NB/build-169/internal/lib/python3.6/site-packages/schrodinger/application/jaguar/gui/ui/multi_structures_ui.py'>, <module 'schrodinger.application.jaguar.gui.ui.irc_bottom_ui' from '/scr/buildbot/savedbuilds/2018-2/NB/build-169/internal/lib/python3.6/site-packages/schrodinger/application/jaguar/gui/ui/irc_bottom_ui.py'>, (<class 'schrodinger.application.jaguar.gui.tabs.molecule_tab.MoleculeTabNoInputSelector'>, 'molecule_sub_tab'))
DIRECTIONS = {'Downhill': 'downhill', 'Forward': 'forward', 'Forward/Reverse': 'both', 'Reverse': 'reverse'}
setup()

Perform tab specific initialization. This function should be defined in subclasses if initialization is needed.

directionChanged()

Respond to the direction combo box selection changing

getDefaultKeywords()

Get the default keywords for this tab. Note that defaults that exist in mmjag should not be explicitly set here.

getMmJagKeywords()

Return all keywords that should be put into the mmjag handle. This function should be defined in subclasses.

Returns:All keywords that should be put into the mmjag handle
Return type:dict
Raises:schrodinger.application.jaguar.gui.utils.JaguarSettingError – If any settings are invalid.
loadSettings(jag_input)

Restore tab settings from mmjag keywords. This function should be defined in subclasses.

Parameters:jag_input (schrodinger.application.jaguar.input.JaguarInput) – The Jaguar settings to base the tab settings on