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Add InChI key method to cpp api #2840

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jblack-mestre opened this issue Apr 2, 2025 · 0 comments
Open

Add InChI key method to cpp api #2840

jblack-mestre opened this issue Apr 2, 2025 · 0 comments
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@jblack-mestre
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Background
Currently, only the InChI is available from the indigo_cpp::IndigoChemicalStructure api. It would be good to have access to the InChI key as well.

Solution
Add a InChI key method to the indigo_cpp::IndigoChemicalStructure class.
jblack-mestre added a commit to mestrelab-chemoinformatics/Indigo that referenced this issue Apr 2, 2025
@jblack-mestre
epam#2840 add inchi key method and update cpp unit tests
2aceb75
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@AlexeyGirin @jblack-mestre