schrodinger.application.jaguar.gui.tabs.reaction_properties_tab module¶
- class schrodinger.application.jaguar.gui.tabs.reaction_properties_tab.ReactionPropertiesTab(parent, input_selector=None)¶
Bases:
schrodinger.application.jaguar.gui.tabs.base_tab.BaseTab- NAME = 'Properties'¶
- HELP_TOPIC = 'JAGUAR_REACTION_PROPERTIES_TAB'¶
- UI_MODULES = (<module 'schrodinger.application.jaguar.gui.ui.reaction_properties_tab_ui' from '/scr/buildbot/savedbuilds/2024-3/NB/build-133/internal/lib/python3.11/site-packages/schrodinger/application/jaguar/gui/ui/reaction_properties_tab_ui.py'>,)¶
- reset()¶
Reset the tab to its original state. Note that this function is only necessary for settings that are not stored in the mmjag handle. For mmjag settings, reset will be carried out using
loadSettingswith a defaultschrodinger.application.jaguar.input.JaguarInputobject. This function should only be defined in subclasses if there are any settings that cannot be reset vialoadSettings.
- deltaGIsChecked()¶
Determine if the delta G checkbox is checked
- Returns
True if the delta G checkbox is checked. False otherwise.
- preoptimizeIsChecked()¶
Determine if the pre-optimize is checked
- Returns
True if the pre-optimize checkbox is checked. False otherwise.