We read every piece of feedback, and take your input very seriously.
To see all available qualifiers, see our documentation.
Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.
By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.
Already on GitHub? Sign in to your account
Describe the bug Originally reported by Mark Mackey: https://www.mail-archive.com/rdkit-discuss@lists.sourceforge.net/msg10958.html
To Reproduce Type the following in a Jupyter Notebook:
Chem.MolFromSmarts("[c,nH1]") --------------------------------------------------------------------------- ValueError Traceback (most recent call last) /scratch/toscopa1/.conda/envs/pyds_v0.9L/lib/python3.8/site-packages/IPython/core/formatters.py in __call__(self, obj) 343 method = get_real_method(obj, self.print_method) 344 if method is not None: --> 345 return method() 346 return None 347 else: ~/install/rdkit_github/StructureRenderer/lib/python3.8/site-packages/rdkit/Chem/Draw/IPythonConsole.py in _toPNG(mol) 229 highlightAtoms = [] 230 kekulize = kekulizeStructures --> 231 return Draw._moltoimg(mol, molSize, highlightAtoms, "", returnPNG=True, kekulize=kekulize, 232 drawOptions=drawOptions) 233 ~/install/rdkit_github/StructureRenderer/lib/python3.8/site-packages/rdkit/Chem/Draw/__init__.py in _moltoimg(mol, sz, highlights, legend, returnPNG, drawOptions, **kwargs) 479 highlightBonds=bondHighlights) 480 else: --> 481 d2d.DrawMolecule(mc, legend=legend or "", highlightAtoms=highlights or []) 482 d2d.FinishDrawing() 483 if returnPNG: ValueError: bad query type1
Expected behavior An exception should not be raised
Screenshots If applicable, add screenshots to help explain your problem.
Configuration (please complete the following information):
The text was updated successfully, but these errors were encountered:
queries containing AtomAnd should not be considered atom lists (fixes r…
c5682f7
…dkit#5006)
queries containing AtomAnd should not be considered atom lists (fixes #…
0d8e985
…5006) (#5007) Co-authored-by: Tosco, Paolo <paolo.tosco@novartis.com>
Fixed drawing query atoms containing an AND query raises an exception
5a33a80
Backported: rdkit#5006 rdkit#5007 Ref: 0d8e985
8e44cdb
Successfully merging a pull request may close this issue.
Describe the bug
Originally reported by Mark Mackey: https://www.mail-archive.com/rdkit-discuss@lists.sourceforge.net/msg10958.html
To Reproduce
Type the following in a Jupyter Notebook:
Expected behavior
An exception should not be raised
Screenshots
If applicable, add screenshots to help explain your problem.
Configuration (please complete the following information):
The text was updated successfully, but these errors were encountered: