This section describes the format of the files containing formulas and reaction step rules. There is no need to know the format in oder to use the program. Therefore for the purpose of using the program this section can be safely skipped.

For the program formulas and reaction step rules belong to a more general class of objects called colored graphs. A colored graph is a set of points in which every pair (p,q) of points is labeled by an integer number ...,-1,0,1,... in such a way that the pair (p,q) is labeled by the same number as the pair (q,p).

LIST OF RULES should be of a file containing a list of colored graphs in relational format each with edge movement instructions. START COMPOUNDS and SEARCHED COMPOUNDS should be a file containing a colored graph in relational format.

The graphic relational format is a particular relational format case, where a list of symbols and coordinates of the points in the graph (a graphic part) is added.

A colored graph in relational format begins with the number sign # followed by the number n of points and a list of expressions

j(p₁,p₂,p₃,...,p_(2+k)),

in which k >= 0 and p₁,p₂,p₃,...,p_(2+k) are between 0 and n-1, meaning that both (p_s,p_(s+1)) and (p_(s+1),p_s) have value j. If neither a pair nor its transposed occur in any expression of the list, they receive value 0. For example, a square with one diagonal would be coded by

#4 1(0,1,2,3,0) 1(0,2).

The computation program interprets the colored graphs in the LIST OF RULES like patterns which match a number of possibilities, thus reducing length and complexity of the list. In the colored graphs of the list only values between -99 and 99 are taken as they are, without any interpretation. The value 100 is a wildcard that matches any number. Values i in the ranges 101,...,199 or -100,...,-199 mean the negation of i-100 respectively i+100. Values i greater than 200 match any value greater i-199. (Greater includes equal.)

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