schrodinger.application.matsci.smartsutilsgui

Module smartsutilsgui

Classes

SMARTSNameValidator
Ensures that the line edit contains only valid SMARTS name characters

Functions

getSMARTSFromWS(maestro, warning, smart_edit, canvas_api=False, fall_back=False)
Get the SMARTS pattern for the selected atoms in the workspace and insert it into the SMARTS entry

Variables

[hide private]

_doc__ = '\nGUI elements for working with SMARTS patterns\n\nC...

__package__ = 'schrodinger.application.matsci'

Function Details

[hide private]

getSMARTSFromWS(maestro, warning, smart_edit, canvas_api=False, fall_back=False)

Get the SMARTS pattern for the selected atoms in the workspace and insert it into the SMARTS entry

Parameters:

maestro (schrodinger.maestro.maestro) - maestro provides structure and selected atom index
warning (function) - prints warning message
smart_edit (schrodinger.ui.qt.swidgets.SMARTSEdit) - setText() sets the name of the smart pattern in GUI
canvas_api (bool) - whether to use analyze.generate_smarts or analyze.generate_smarts_canvas
fall_back (bool) - whether to fall back on using analyze.generate_smarts if analyze.generate_smarts_canvas fails, used only if canvas_api is True

Variables Details

[hide private]

_doc__

Value:

'''
GUI elements for working with SMARTS patterns

Copyright Schrodinger, LLC. All rights reserved.
'''