dot-create_substrates_combinations: Create substrates combinations

In michaelwitting/wormLipidPredictR: Lipid reaction prediction based on WormJam

Create substrates combinations

Description

The function returns a data.frame with all combinations from substrates.

Usage

.create_substrates_combinations(
  substrates = substrates,
  constraints = character(length(substrates)),
  negate = logical(length(substrates))
)

Arguments

substrates	list of character vector(s)
constraints	character vector with same length as length(substrates)
negate	logical vector with same length as length(substrates)

Details

The string replacement depend on the reaction argument.

The function will internally expand.grid to create the combinations.

Value

data.frame

Author(s)

Michael Witting, [e-mail] and 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
LipidNetworkPredictR:::.create_substrates_combinations(
    substrates = substrates, 
    constraints = "", negate = FALSE)

michaelwitting/wormLipidPredictR documentation built on Nov. 20, 2024, 1:10 a.m.