rcdk: get.isotope.pattern.generator – R documentation

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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)

Arguments

minAbundance

The minimum abundance

Value

A jobjRef corresponding to an instance of IsotopePatternGenerator

Author(s)

Miguel Rojas Cherto

References

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

rcdk

Interface to the 'CDK' Libraries

v3.5.0

LGPL

Authors

Rajarshi Guha [aut, cph], Zachary Charlop-Powers [cre], Emma Schymanski [ctb]

Initial release

2020-03-06