Construct an isotope pattern generator. — get.isotope.pattern.generator • rcdk

Constructs an instance of the CDK IsotopePatternGenerator, with an optional minimum abundance specified. This object can be used to generate all combinatorial chemical isotopes given a structure.

Usage

get.isotope.pattern.generator(minAbundance = NULL)

Arguments

minAbundance: The minimum abundance

Value

A jobjRef corresponding to an instance of IsotopePatternGenerator

References

http://cdk.github.io/cdk/1.5/docs/api/org/openscience/cdk/formula/IsotopePatternGenerator.html

Author

Miguel Rojas Cherto