I have trouble understanding your problem. It seems to me that you have not expressed it in terms that a computer programmer could normally start with. Maybe you need to sit down with a programmer, allowing a half hour for explanation of your problem.
Also I see nothing about your problem which relates to Java. Java could be used. But so could most other languages be used. There might be a better language for your usage.
Rich Hammer Hillsborough
[EMAIL PROTECTED] wrote:
Hi,
I am having a bit of a parsing problem in the chemistry domain. I have the following Rule:
A + B -->
A: [C:1][N:2][C:3] B: [Cl:4][C:5] C: [C:1][N:2]([C:5])[C:3]
The integers are the "mappings" of the various atoms. This rule, including the product, is entered by the user.
The user also enters this as a test case:
A: C[C:1][N:2][C:3]C
B: [Cl:4][C:5]COC
This should produce: C: C[C:1][N:2]([C:5]COC)[C:3]C
The user will input the test case in a different notation, however, called SMILES. Thus, a,b,c map to this respectively in SMILES
A: CCNCC
B: ClCCOC C: CCN(CCOC)CC
The goal is to apply the given rule to the test case to produce C for the test case (i.e. product). It is intended to be flexible enough such that the user can go back and change any parts of the rule or a,b of the test case and a new product will be calculated. Human-wise, it is not difficult. Looking at the product of the rule, we see that the product of the test case must have at least [C:1][N:2] (in that order), followed by a branch to b (denoted by parenthesis), in turn followed by the remainder of a. Notice [Cl:4] was removed in the process while unmapped elements (not in brackets) are included. Try as I might, I just cannot figure out a good way to parse this thing and make it generic enough to handle multiple rules and/or test cases. Any help would be greatly appreciated.
Thanks, Dev Brown
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