datablock2ma: SDF data blocks to matrix
In ChemmineR: Cheminformatics Toolkit for R

Description Usage Arguments Details Value Author(s) References See Also Examples

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.

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datablock2ma(datablocklist, cleanup = " \\(.*", ...)   

splitNumChar(blockmatrix)

`datablocklist`	`list` of data block vectors; can be created with `datablock(sdfset)`
`blockmatrix`	`matrix` returned by `datablock2ma`
`cleanup`	`character` pattern to be used to clean up the name fields of the data block vectors; the exact pattern matches are replaced by nothing (deleted).
`...`	option to pass on additional arguments

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`datablock2ma`	`character matrix`
`splitNumChar`	`list` with two components, a numeric matrix and a character matrix

Thomas Girke

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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,]