Update matchms filtering tool to also validate SMILES and InChI with require filters

RECETOX / galaxytools

Set of Galaxy tool wrappers developed at RECETOX

MIT License

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Update matchms filtering tool to also validate SMILES and InChI with require filters #477

Closed hechth closed 8 months ago

hechth commented 9 months ago

The current implementation with require_smiles and require_inchi only checks whether the keys are present. This should be updates to use also the is_valid_inchi and is_valid_smiles functions to check if the values are actually correct.