checkMassAndChargeBalance does not show unknown formulas as unbalanced about cobratoolbox HOT 4 CLOSED

Hi Thomas,
this seems a sensible modification. I thought that it does flag the metabolites without formulae, but it should also do so for the reactions with one or more missing formula(e).
Regards,
Ronan

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Hi Ronan,
One more question:
As of this moment, checkBalance will return NaN if any metabolite is unknown. While this is a sensible approach to indicate that the method can't determine the balance, it might be useful to instead return the "unbalance" value ignoring the unknown metabolite.
Obtaining this value would allow a user to estimate the atom composition of unknown compounds if only one compound is missing its formula.
While this is a different issue, I would suggest to at least add an option to the function to allow this behaviour, while keeping the default to return NaN to not mess with established code.

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OK, please could you add some test functions for these tests of elemental balance? We are trying to increase the test coverage for v3.

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I created a pulll request. Incidently I noticed, that the chargeBalance part of the function did not work at all. It was never ever set to anything. I fixed that along with the update.

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