datablock2ma {ChemmineR} | R Documentation |
Convert data blocks in SDFset
to character matrix with
datablock2ma
, then store its numeric columns as numeric matrix and its
character columns as character matrix.
datablock2ma(datablocklist, cleanup = " \\(.*", ...) splitNumChar(blockmatrix)
datablocklist |
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blockmatrix |
|
cleanup |
|
... |
option to pass on additional arguments |
...
datablock2ma |
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splitNumChar |
|
Thomas Girke
...
Classes: SDFset
## SDFset instance data(sdfsample) sdfset <- sdfsample # Convert data block to matrix blockmatrix <- datablock2ma(datablocklist=datablock(sdfset)) blockmatrix[1:4, 1:4] # Split matrix to numeric matrix and character matrix numchar <- splitNumChar(blockmatrix=blockmatrix) names(numchar) numchar[[1]][1:4,] numchar[[2]][1:4,]