schrodinger.ui.qt.forcefield.ffprojectsettingsdlg module

schrodinger.ui.qt.forcefield.ffprojectsettingsdlg.get_current_project_name()

Returns current project name if current project is a saved project else, return ‘Unsaved Project’ :return: current project name :rtype: str

class schrodinger.ui.qt.forcefield.ffprojectsettingsdlg.FFProjectSettingsDlg(parent, display_customize_btn=True)

Bases: PyQt6.QtWidgets.QDialog

Class to bring dialog for project settings for OPLS4 parameters. It offers user to change project specific override for custom OPLS parameters, with other options such as, setting project specific preference as global preference and clearing current project settings.

Note: Dialog can be opened outside of Maestro, but there is no option to update the global settings and the project settings are only valid for the active session.

Variables

MOST_RECENTLY_USED_LOCATIONS (list[str]) – used to store most recently used locations for custom opls parameters. Used to communicate recently used locations for project settings across various instances of this dialog.

MOST_RECENTLY_USED_LOCATIONS = []
__init__(parent, display_customize_btn=True)
Parameters

  • parent – is parent widget.

  • display_customize_btn – is set to True if Customize… button needs to be visible,False otherwise.

exec()

Method overridden to update UI of dialog before displaying it.

schrodinger.ui.qt.forcefield.ffprojectsettingsdlg.launch_ffbuilder_gui()

Launch the Force Field builder panel

schrodinger.ui.qt.forcefield.ffprojectsettingsdlg.show_ff_project_settings_dlg(parent=None, show_customize_btn=True)

Shows force field project settings dialog.

Parameters

  • parent – is parent object.

  • show_customize_btn – is set to True if Customize… button needs to be displayed, False otherwise.