molecule_tibble: Data frame reprsentation of a molecule object

In paleolimbot/chemr: R Data Structures for Chemistry Data

Description

Data frame reprsentation of a molecule object

Usage

## S3 method for class 'molecule_single'
as.data.frame(x, ...)

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

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

## S3 method for class 'mol'
as.data.frame(x, ...)

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

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

Arguments

x	A molecule object
...	Ignored

Value

A tibble with one row per molecule

Examples

as.data.frame(as_mol("H2O"))
library(tibble)
as_tibble(as_mol("H2O"))
as_tibble(mol("H2O", "NH3"))

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