Paolo Tosco

ResMolSupplier results depend on the starting structure

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This was originally reported by @gunabam: ### Discussed in https://github.com/rdkit/rdkit/discussions/4490 Originally posted by **gunabam** September 8, 2021 Hi there, I am trying to calculate the potential resonance structures with rdkit....

I realized that log enabling/disabling/capture/tee were not quite working as expected from CFFI/MinimalLib, therefore I made them more robust and added relevant CFFI and MinimalLib tests.

SMILES/SMARTS parser refactoring

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- Refactored the SMILES/SMARTS parser by adding a `SmilesParser` and a `SmartsParser` class which both inherit from an `AbstractParser`. This design allows initializing the `scanner` through a RAII pattern -...

Expose reading/writing PNG metadata to CFFI and MinimalLib

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This is the long-due PR to enable reading/writing PNG metadata from CFFI and MinimalLib (presented at RDKit UGMs 2023/2024). - expose reading/writing PNG metadata to CFFI and MinimalLib - add...

Fixes #8569

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While fixing #8569 I could not restrain myself from refactoring the MMPA code, which is of the same C-style/reinvent the wheel multiple times/add as much useless boilerplate as possible/add irrelevant...

Set event manual reset flag to true

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Currently, a long-running C Python module executed on Windows in a Jupyter kernel can only be interrupted by sending twice the "Interrupt kernel" signal. This happens because the first interrupt...