This factors out the complexation data into three JSON final (two for states, one for the stoichiometry). It also represents the stoichiometric matrix in a sparse fashion, since it had maybe less than 1% non-zero values.
@prismofeverything how do you feel about this split? I suspect you prefer to pack things into more complete files but in this case I think the separation is warranted. Alternatively we could keep the two states together in one JSON file while keeping the stoichiometry separate, which would lend itself towards introducing more test cases.
This factors out the complexation data into three JSON final (two for states, one for the stoichiometry). It also represents the stoichiometric matrix in a sparse fashion, since it had maybe less than 1% non-zero values.
@prismofeverything how do you feel about this split? I suspect you prefer to pack things into more complete files but in this case I think the separation is warranted. Alternatively we could keep the two states together in one JSON file while keeping the stoichiometry separate, which would lend itself towards introducing more test cases.