get.isotope.pattern.similarity: Construct an isotope pattern similarity calculator.

Description Usage Arguments Value Author(s) References See Also

View source: R/formula.R

Description

A method that returns an instance of the CDK IsotopePatternSimilarity class which can be used to compute similarity scores between pairs of isotope abundance patterns.

Usage

1

Arguments

tol

The tolerance

Value

A jobjRef corresponding to an instance of IsotopePatternSimilarity

Author(s)

Miguel Rojas Cherto

References

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

See Also

compare.isotope.pattern


rcdk documentation built on March 13, 2020, 1:30 a.m.