Library search routines, computer programs

Library Search Routines To aid in the identification of hydrocarbons, computer programs are being developed for comparing unknown spectra to libraries of known compounds. As an example, a sample of 2-hexadecanol was compared to a library of over 100 compounds. The library search identified 2-hexadecanol as the... 

With regard to computer programming, the optimum seeking methods should be written separately and stored as a library program for repetitive use. The main program reads the input data, calls the search routine, performs any noniterative calculations, and handles the output. The calculation of iterative state variables and the calculation of the objective function should be performed within function subprograms. 

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