is.generic.metacyc: Check given reaction is generic reaction

Description Usage Arguments Value Author(s) References Examples

View source: R/is.generic.metacyc.R

Description

Generic reaction is a reaction with at least one compound class as reaction participant (e.g., a primary alcohol + NADP -> an aldehyde + H(+) + NADPH). This function check if given reaction is generic reaction

Usage

1
is.generic.metacyc(equation,compound_df,id_col,smiles_col,parent_col,direction_type)

Arguments

equation

Reaction equation usually from get.metacyc.all() function.

compound_df

Chemial table (data.frame) containing SMILES code of each compound in reaction equation

id_col

In chemical table, choose the column name which contains chemical id (usually first column)

smiles_col

In chemical table, choose the column name which contains SMILES code

parent_col

In chemical table, choose the column name which contains TYPES

direction_type

In reaction equation, provide reaction direction charaters. Default is c(" <=> ", " => ")

Value

Logical TRUE/FALSE

Author(s)

Byoungnam Min <mbnmbn00@gmail.com>, Byeonghyuk Park, Kyoung Heon Kim and In-Geol Choi

References

MetaCyc: http://metacyc.org

Examples

 1
 2
 3
 4
 5
 6
 7
 8
 9
10
11
data(example) # Load sample data

metacyc.c = example$metacyc.c
metacyc.r.1 = example$metacyc_generic$equation
metacyc.r.2 = example$metacyc_massbal
metacyc.r = c(metacyc.r.1, metacyc.r.2)

names(metacyc.c) # Print column names

# Check generic reaction
is.generic.metacyc(metacyc.r,metacyc.c,'UNIQUE.ID','SMILES','TYPES',c(' <=> ', ' => '))

RbioRXN documentation built on May 29, 2017, 10:56 a.m.