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I've tried with a basic brusselator example, converting the file first to ODE's then trying to run the converter to restore the reactions:
Original Reaction Scheme:
# Name Reaction Rate Law Flux [mmol/s] Number Flux [1/(s)] Noise Expression
1 R1 A -> X Mass action (irreversible) nan nan
2 R2 2 * X + Y -> 3 * X Mass action (irreversible) nan nan
3 R3 X + B -> Y + D Mass action (irreversible) nan nan
4 R4 X -> E Mass action (irreversible) nan nan
New Reaction
after running the conversion to ode and back the resulting scheme was:
# Name Reaction Rate Law Flux [mmol/s] Number Flux [1/(s)] Noise Expression
1 J1 -> X; A Function for J1 nan nan
2 J2 X + Y -> X + Y Function for J2 nan nan
3 J3 X -> X + Y; B Function for J3 nan nan
4 J4 X -> X Function for J4 nan nan
New Reaction
Originally X and Y were floating, A, B, D and E boundary.
- The stoichiometries look strange to me. (since it was just mass action, it is fine that D and E do not appear in the reaction sche. I'm even fine with A and B being modifier rather than substrates.
- it is however problematic, that in the resulting model X and Y are also boundary.
I'll attach the ode version of the model.
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