This function get the isotope pattern given a cdkFormula
object.
It modifies as the IMolecularFormula
Java object as the
its mass.
get.isotopes.pattern(formula,minAbund=0.1)
A cdkFormula
object.
Minimal abundance of the isotopes to be added in the combinatorial search.
Objects of class IsotopePatternGenerator, from the IMolecularFormula
package
A parallel effort to expand the Chemistry Development Kit: http://cdk.sourceforge.net
get.formula
,
set.charge.formula
,
isvalid.formula
,
generate.formula