set_radii_of_gyration {massProps}R Documentation

Set radii of gyration for a row in a data frame

Description

set_radii_of_gyration() sets radii of gyration for a selected row in a data frame with an id column.

Usage

set_radii_of_gyration(df, id, rg)

Arguments

df

A data frame with an id column.

id

The id value of the desired row.

rg

A list with the following named elements:

  • radii_gyration Numeric 3x3 matrix radii of gyration.

Value

The updated data frame.

Examples

rgl <- list(radii_gyration = c(x = 1, y = 2, z = 3))
set_radii_of_gyration(mp_table, "C.1", rgl)[1:5, ]

[Package massProps version 0.3.3 Index]