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molecular_formula_parser

A generic formula parser for molecules using DP.

Start the Spring application and visit http://localhost:8080. To see the formula brekup make a get call with route as parse and the next path variable is the formula.

Example:
http://localhost:8080/parse/NACL : Generates NA*CL*.

The parser is case sensitive. http://localhost:8080/parse/NAli: Generate N*Al*i* and http://localhost:8080/parse/Nali : Generates Na*li* and http://localhost:8080/parse/nacl : Generates na*cl*.

It also accepts numbers http://localhost:8080/parse/Nal2cl334naclna: Generates N*al*2*cl*334*na*cl*na*

Define you custom fragments and their mass in src/main/resources/static/AtomicMassData.plg.

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A generic formula parser for molecules

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