datablock2ma: SDF data blocks to matrix

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

Description

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.

Usage

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

splitNumChar(blockmatrix)

Arguments

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

Details

...

Value

datablock2ma

character matrix

splitNumChar

list with two components, a numeric matrix and a character matrix

Author(s)

Thomas Girke

References

...

See Also

Classes: SDFset

Examples

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## 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,] 

girke-lab/ChemmineR-git-svn-bridge documentation built on May 17, 2019, 5:25 a.m.