powered by
This function validates a cdkFormula object. At the moment is using the nitrogen Rule and RDBE Rule.
cdkFormula
isvalid.formula(formula, rule = c("nitrogen","RDBE"))
A cdkFormula object.
The rules to be applied: nitrogen and RDBE.
Objects of class MolecularFormulaChecker, from the IMolecularFormula package
IMolecularFormula
A parallel effort to expand the Chemistry Development Kit: http://cdk.sourceforge.net
get.formula, set.charge.formula, get.isotopes.pattern, generate.formula
get.formula
set.charge.formula
get.isotopes.pattern
generate.formula
# NOT RUN { formula <- get.formula('NH4', charge = 0) isvalid.formula(formula, rule = c("nitrogen","RDBE")) # }
Run the code above in your browser using DataLab