grepSDFset: String search in 'SDFset'
In girke-lab/ChemmineR-release: Cheminformatics Toolkit for R

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

Convenience grep function for string searching in SDFset containers.

1	grepSDFset(pattern, x, field = "datablock", mode = "subset", ignore.case = TRUE, ...)

`pattern`	search pattern
`x`	`SDFset`
`field`	delimits search to specific section in SDF; can be `header`, `atomblock`, `bondblock` or `datablock`
`mode`	if `mode = "index"`, then the match positions are returned as vector; if `mode = "subset"`, a `list` with `SDF` components is returned where every entry has at least one query match
`ignore.case`	`TRUE` turns off case sensitivity
`...`	option to pass on additional arguments

...

`numeric`	index vector where the name field contains the component positions in the `SDFset` and the values the row positions in each sub-component.
`list`	if `mode = "subset"`

Thomas Girke

...

Class: SDFset

## Instances of SDFset class
data(sdfsample)
sdfset <- sdfsample

## String Searching in SDFset
q <- grepSDFset("65000", sdfset, field="datablock", mode="subset") 
as(q, "SDFset")
grepSDFset("65000", sdfset, field="datablock", mode="index")