schrodinger.application.matsci.rdpattern_gui module¶
GUI elements to generate and evaluate Smiles/SMARTS pattern for both CG and all atomic structure using RDKIT
Copyright Schrodinger, LLC. All rights reserved.
- class schrodinger.application.matsci.rdpattern_gui.GuiPattern(struct, *, implicitH=False, is_cg=None, sanitize=True, include_stereo=True, fall_back=False)¶
Bases:
schrodinger.application.matsci.rdpattern.Pattern
,schrodinger.ui.qt.widgetmixins.basicmixins.MessageBoxMixin
This class describes a pattern that can be used by graphical user interface.
- evaluateSmarts(smarts, **kwargs)¶
Overwrite parent class to reload rdmol to obey stereochemistry in case smarts has stereo and current rdmol does not.