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This function returns a formula object containing mass, string character and isotopes when is given a character/string formula.
get.formula(mf, charge=0)
A string containing the formula of the molecular formula of chemical object.
The charge of the molecular formula.
Objects of class cdkFormula, from the IMolecularFormula package
cdkFormula
IMolecularFormula
A parallel effort to expand the Chemistry Development Kit: http://cdk.sourceforge.net
set.charge.formula, get.isotopes.pattern, isvalid.formula, generate.formula
set.charge.formula
get.isotopes.pattern
isvalid.formula
generate.formula
# NOT RUN { formula <- get.formula('NH4', charge = 1) formula # }
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