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rcdk (version 3.8.1)

get.isotope.pattern.generator: Construct an isotope pattern generator.

Description

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)

Value

A jobjRef corresponding to an instance of IsotopePatternGenerator

Arguments

minAbundance

The minimum abundance

Author

Miguel Rojas Cherto

References

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