WebOct 14, 2014 · I have a boost::python function: RDKit::ROMol *hydrogen_transformations (const RDKit::ROMol &r); which is exposed like this: BOOST_PYTHON_MODULE … WebOct 21, 2024 · It is complaining about parameter mismatch between the c++ and Boost.Python arguments. One thing I don't understand is why the C++ signature …
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WebI have the following Pandas Series: I want to use regex to extract the string after the last underscore in each row of this series. I was able to come up with regex that match with the last string but note sure how to implement it in a pandas series method. The regex I used to match the pattern and WebJan 23, 2024 · Subject: Re: [Rdkit-discuss] Errors with RDKit Hi Carlos, Simmilar to Axel, in my code I use if mol is None: return False (if you are using a function to read each SDF file) if mol is None: continue (to force the next loop) -- Wandré Nunes de Pinho Veloso Professor Assistente - Unifei - Campus Avançado de Itabira-MG Doutorando em ... only weiße hosen
[Rdkit-discuss] Python argument types did not match …
WebJul 11, 2024 · did not match C++ signature: MolToSmiles (class RDKit::ROMol mol, bool isomericSmiles=True, bool kekuleSmiles=False, int rootedAtAtom=-1, bool canonical=True, bool allBondsExplicit=False, bool allHsExplicit=False, bool doRandom=False) April 8, 2024 at 4:54 pm #30812 ikk6 Keymaster Hello. Are you sure your "large" file is properly … WebSep 2, 2024 · ArgumentError: Python argument types in rdkit.Chem.rdFreeSASA.classifyAtoms(Mol) did not match C++ signature: classifyAtoms(RDKit::ROMol {lvalue} mol, FreeSASA::SASAOpts … WebI cannot understand why, randomly, sometimes it runs correctly and sometimes it ends with an exception: cryptography.exceptions.InvalidSignature: Signature did not match digest. The keys are created once, at the startup of the main. So the issue seems not to be related to creation of different random keys. Anyone could help me to detect what is ... only welders sticker