opencobra/MASSef

absoluteFlux calculation wrong for Ping Pong mechanisms

martamatos opened this issue · 2 comments

The absoluteFlux equation is calculated as the sum of all transition steps in the enzyme mechanism. However, in the pint pong mechanism there are two transition steps that are sequential, and not parallel.
To fix this, just check for the enzyme mechanism -> if ping pong, take only one of the transition steps.
How to check for enzyme mechanism,
option 1: add the mechanism as an argument for the function that calculates the absoluteFlux
option 2: check for "mod" in the enzyme species of the transition steps? however, that limits the way to define ping pong mechanisms and can easily lead to errors.

another solution would be to allow the user to provide a set of transition steps, to use in place of automatically calculated steps, with a warning that they should do this for ping pong

This has been fixed in commit 10e4e34