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Declaration:function InitFindFormula (mass, tol: double; LowF, HighF: TFormulaRec): boolean;

The method InitFindFormula initializes the search for molecular formulas with a given range of molecular weights. The parameters mass and tol hold the mass to be searched for and the tolerance of the search (in atomic mass units). The parameters LowF and HighF define the lower and upper bounds of molecular formulas to be searched. Note that LowF and HighF have to match each other with respect to atomic numbers and atomic weights.

Example: This method is used in the following example program (see for downloading the code): molform

Last Update: 2012-Oct-20