set_radii_of_gyration_unc {massProps}R Documentation

Set radii of gyration uncertainties for a row in a data frame

Description

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

Usage

set_radii_of_gyration_unc(df, id, rgu)

Arguments

df

A data frame with an id column.

id

The id value of the desired row.

rgu

A list with the following named elements:

  • sigma_radii_gyration Numeric 3x3 matrix radii of gyration uncertainties.

Value

The updated data frame.

Examples

rgul <- list(sigma_radii_gyration = c(x = 1, y = 2, z = 3))
set_radii_of_gyration_unc(mp_table, "C.1", rgul)[1:5, ]


[Package massProps version 0.3.3 Index]