schrodinger.application.jaguar.gui.tabs.input_sub_tabs.charge_constraints module¶

class schrodinger.application.jaguar.gui.tabs.input_sub_tabs.charge_constraints.ChargeConstraintsSubTab(parent=None)¶

Bases: schrodinger.application.jaguar.gui.tabs.input_sub_tabs.base_sub_tab.BaseSubTab

An Input tab sub-tab for charge constraints.

See parent class for documentation on the class variables

NAME = 'Charge Constraints'¶

TABLE_MODEL_CLASS¶: alias of schrodinger.application.jaguar.gui.tabs.sub_tab_widgets.charge_constraints_widgets.ChargeConstraintsModel

UI_MODULE = <module 'schrodinger.application.jaguar.gui.ui.input_sub_tabs.charge_constraints_ui' from '/scr/buildbot/savedbuilds/2024-4/NB/build-117/internal/lib/python3.11/site-packages/schrodinger/application/jaguar/gui/ui/input_sub_tabs/charge_constraints_ui.py'>¶

setup()¶: Sub-tab-specific initialization. This function may be redefined in subclasses.

addNewConstraint()¶: Add a blank row for a new constraint

saveSettings(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 (schrodinger.application.jaguar.input.JaguarInput) – The Jaguar handle to save settings into
eid (string) – The entry id of the structure to save settings for

loadSettings(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 (schrodinger.application.jaguar.input.JaguarInput) – The Jaguar handle to load settings from
eid (string) – The entry id of the structure to load settings for
title (str) – The title of the structure
struc (schrodinger.structure.Structure) – The structure that settings are being loaded for. Primarily intended for looking up atom names.

emitAddMarker(atoms, settings)¶

Pass along addJaguarMarker signals received from the table model or charge_constraints_widgets.AtomSelectionDelegate.

Since this sub-tab allows overlapping charge constraint groups, it’s possible to have more than one marker for an atom. Since the panel code can’t handle multiple markers per atom, we use “marker counting” to ensure that markers are created and deleted appropriately.

See parent class for argument documentation.

emitRemoveMarker(atoms)¶

Pass along removeJaguarMarker signals received from the table model or charge_constraints_widgets.AtomSelectionDelegate.

Since this sub-tab allows overlapping charge constraint groups, it’s possible to have more than one marker for an atom. Since the panel code can’t handle multiple markers per atom, we use “marker counting” to ensure that markers are created and deleted appropriately.

See parent class for argument documentation.