schrodinger.ui.sketcher_smarts_dialog module¶
- class schrodinger.ui.sketcher_smarts_dialog.SmartsSearchOption(value, names=None, *, module=None, qualname=None, type=None, start=1, boundary=None)¶
Bases:
schrodinger.models.jsonable.JsonableEnum
Aromaticized or strict search
- Aromaticize = 'Aromaticize automatically for best search'¶
- StrictSearch = 'Match structure exactly as drawn'¶
- class schrodinger.ui.sketcher_smarts_dialog.SketcherSMARTSDialog(title: str, parent=None)¶
Bases:
schrodinger.ui.qt.basewidgets.BaseDialog
This class provides the functionality to get smarts from sketcher. Uses title to store/restore the geometry of dialog.
- ui_module = <module 'schrodinger.ui.sketcher_smarts_dialog_ui' from '/scr/buildbot/savedbuilds/2024-4/NB/build-117/internal/lib/python3.11/site-packages/schrodinger/ui/sketcher_smarts_dialog_ui.py'>¶
- __init__(title: str, parent=None)¶
- Parameters
title – is title of the dialog.
parent – is parent widget.
- setSmartsToSketcher(smarts: str)¶
Sets the smarts to sketcher. :param smarts: smarts to be shown in sketcher.
- showSketcher(smarts: str) PyQt6.QtWidgets.QDialog.DialogCode ¶
Shows the dialog. :param smarts: smarts to be shown in sketcher. :return: QDialog.Accepted or QDialog.Rejected when clicked on OK or Cancel button respectively.
- getSMARTS() str ¶
Gets the smarts from sketcher. :return: smarts if valid otherwise empty string.
- setupDialogConnections()¶
Sets up the dialog connections.
- onOKPressed()¶
Gets the structure from sketcher and if structure is invalid, shows the error message box and otherwise accepts the dialog.
- clearSketcher()¶
Clears the sketcher structure.
- schrodinger.ui.sketcher_smarts_dialog.get_smarts_from_sketcher(dialog_title: str, parent: PyQt6.QtWidgets.QWidget = None, initial_smarts: str = '') str ¶
Gets the smarts from sketcher. :param dialog_title: is title of the dialog. :param parent: is parent widget. :param initial_smarts: smarts to be shown in sketcher. :return: smarts if valid otherwise empty string.