simplify_mol: Simplify chemr objects

In paleolimbot/chemr: R Data Structures for Chemistry Data

Description

Simplify chemr objects

Usage

simplify_mol(x, ...)

remove_zero_counts(x, ...)

## S3 method for class 'molecule_single'
simplify_mol(x, ...)

## S3 method for class 'molecule_single'
remove_zero_counts(x,
  tol = .Machine$double.eps^0.5, ...)

## S3 method for class 'mol'
simplify_mol(x, ...)

## S3 method for class 'mol'
remove_zero_counts(x, tol = .Machine$double.eps^0.5, ...)

Arguments

x	A mol, molecule_single, or reaction object
...	Unused
tol	Tolerance for zero detection

Value

An object with the same class as x

Examples

simplify_mol(as_mol("CHOOOH"))

paleolimbot/chemr documentation built on Sept. 11, 2021, 2:02 p.m.