d-ming / AR-tools

A set of utility functions and Jupyter notebooks for attainable region (AR) computations.
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Functionality for determining unique reactions in the stoichiometric coefficient matrix #58

Closed d-ming closed 7 years ago

d-ming commented 7 years ago

Systems containing many reactions among a small set of unique components are often redundant in terms of the dimension of the stoichiometric subspace, and hence they can be represented by a subset of the reactions.

For example, the system [1] A -> B [2] B -> C [3] A -> C contains three reactions, but only two of them are independent. (Computing the rank of the stoichiometric matrix will give an answer of two.) Hence, the stoichiometric subspace is a two-dimensional plane in cA-cB-cC space, which could be represented by a system of only two reactions instead ([1] and [2], [1] and [3], or [2] and [3]).

artools needs this functionality to handle more realistic and generalised reaction systems.