dot-check_colnames_substrates_combinations: Check if correct colnames are in 'substrates_combinations'

In michaelwitting/wormLipidPredictR: Lipid reaction prediction based on WormJam

Check if correct colnames are in substrates_combinations

Description

The helper function checks if the correct columns are in substrates depending on the reaction.

Usage

.check_colnames_substrates_combinations(substrates, reaction = "RHEA:15421")

Arguments

substrates	data.frame or list
reaction	character(1)

Details

The function will throw an error if reaction is not of length 1 and is not an implemented method.

The function will invisibly return the correct columns for reaction.

.check_colnames_substrates_combinations is a helper function to test the integrity of df.

Value

character containing the valid colnames

Author(s)

Thomas Naake, [e-mail]

Examples

FA <- c("FA 14:0(12Me)", "FA 16:0(14Me)", "FA 15:1(9Z)(14Me)",        
    "FA 17:0(16Me)", "FA 12:0(11Me)", "FA 13:0(12Me)", "FA 14:0(13Me)",
    "FA 15:0(14Me)", "FA 16:0(15Me)", "FA 12:0", "FA 14:0")
substrates <- list(FA = FA)

## create data.frame of substrates
template <- LipidNetworkPredictR:::.create_template(template = NULL, 
    reaction = "RHEA:15421")
df_substrates <- LipidNetworkPredictR:::.create_substrates_combinations(
    substrates = substrates, template = template)
LipidNetworkPredictR:::.check_colnames_substrates_combinations(
    substrates = df_substrates, reaction = "RHEA:15421")

michaelwitting/wormLipidPredictR documentation built on Feb. 28, 2025, 5:02 a.m.