forEachMol {ChemmineOB} | R Documentation |
Reads in molecules from the given string in the given
format and calls function f
on each molecule.
The results are then combinded using the reduce
function, if given.
forEachMol(inFormat, inString, f, reduce)
inFormat |
Format of string in |
inString |
The compounds to generate fingerprints for. The format should be exactly what would be in a file of the same format. Newlines can be represented with "\n". |
f |
A function taking one OBMol reference and possibly returning a result. |
reduce |
This function will be passed to the |
The result will be a List of return values from the
f
function if not reduce
function was
given. Otherwise it will be the result of the
reduce
function applied to the results of the
f
function.
Kevin Horan
molRefs = forEachMol("SMILES","C1CCCCC1\ttest-compound-name", identity,c)