EnzymeML / PyEnzyme

🧬 - Data management and modeling framework based on EnzymeML.

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Can't read in excel template if no SMILES or InCHI code is given

benjaminhadzovic opened this issue · comments

I have trouble reading the template with the code:
enzmldoc = pe.EnzymeMLDocument.fromTemplate("Example.xlsx")
when no InCHI or SMILES code is given. In the template documentation SMILES and InCHI should be a optional field.

Error:
SpeciesNotFoundError: Pyruvate in Reactant -> Species ID has not been found

Here is the template:
Example.xlsx

After adding a string to InCHI or SMILES column the template can be read in.
For example this template can be read in:
Example2.xlsx