Decompose a metabolite table into the metabolite stub itself and the compartment it is in

decompose_metabolites(
  met_table,
  compartment_regex = "(\\[[a-zA-Z0-9]+]$)|(_[a-zA-Z]$)"
)

Arguments

met_table	A metabolite table, with one column, `met`
compartment_regex	Regular expression to identify compartments in model

Value

a metabolite table with the columns chemical and compartment

Examples

data(ecoli_core)

mod <- reactiontbl_to_expanded(ecoli_core)

decompose_metabolites(mod$mets)
#> # A tibble: 72 x 2
#>    chemical compartment
#>    <chr>    <chr>      
#>  1 13dpg    c          
#>  2 2pg      c          
#>  3 3pg      c          
#>  4 6pgc     c          
#>  5 6pgl     c          
#>  6 ac       c          
#>  7 ac       e          
#>  8 acald    c          
#>  9 acald    e          
#> 10 accoa    c          
#> # … with 62 more rows

recompose_metabolites(decompose_metabolites(mod$mets))
#> # A tibble: 72 x 1
#>    met    
#>    <chr>  
#>  1 13dpg_c
#>  2 2pg_c  
#>  3 3pg_c  
#>  4 6pgc_c 
#>  5 6pgl_c 
#>  6 ac_c   
#>  7 ac_e   
#>  8 acald_c
#>  9 acald_e
#> 10 accoa_c
#> # … with 62 more rows