setDBEValenceDF: Set the valence_DF attribute

View source: R/attributes_methods.R

setDBEValenceDFR Documentation

Set the valence_DF attribute

Description

Stores a dataframe of various valence combinations in the valence_DF attribute of the ftmsObject

Usage

setDBEValenceDF(ftmsObj, valences)

Arguments

ftmsObj

an object of type ftmsData

valences

a dataframe with columns C, H, N, O, S, P and values representing valences for each element

Value

updated ftmsObj


EMSL-Computing/fticRanalysis documentation built on Dec. 18, 2024, 9:51 p.m.