Description Usage Arguments Value Author(s) Examples
View source: R/check.mass.balance.R
Using molecular formula of reaction participants, check given reaction equation is mass-balanced. Note that some reaction participants don't have molecular formula (e.g., polymer or generic compound), so these reactions cannot be checked.
1 2 | check.mass.balance(equation, chemical_table, id_col="chebi", formula_col="formula",
direction_type=c(" <=> ", " => ", " <\\?> "))
|
equation |
Reaction equation usually from get.rhea.all() or get.metacyc.all() function. |
chemical_table |
Chemial table (data.frame) containing molecular formula |
id_col |
In chemical table, choose the column name which contains chemical ID (usually first column) |
formula_col |
In chemical table, choose the column name which contains molecular formula |
direction_type |
In reaction equation, provide reaction direction symbols. Default value is c(" <=> ", " => ", " <\\?> ") |
Character values (not logical)
TRUE |
|
FALSE |
|
Not available |
Byoungnam Min <mbnmbn00@gmail.com>, Byeonghyuk Park, Kyoung Heon Kim and In-Geol Choi
1 2 3 4 5 6 7 |
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