Chemical reaction generator builder described in Section 5.3 of The Book.
reaction.reactants - a vector of integers specifying which parts declared in the in- put (chem.parts) are reactants reaction.products - a vector of integers specifying which parts declared in the in- put (chem.parts) are products reaction.matching - a matrix with two columns, spe- cifying which spin in the reac- tants list (left column) becom- es which spin in the product list (right column)
G - a matrix mapping each state of the reactant state space into its desti- nation in the product state space
This is an early implementation; indexing may be slow.
Version 2.8, authors: Ilya Kuprov