grepSDFset {ChemmineR} | R Documentation |
SDFset
Convenience grep function for string searching in SDFset
containers.
grepSDFset(pattern, x, field = "datablock", mode = "subset", ignore.case = TRUE, ...)
pattern |
search pattern |
x |
|
field |
delimits search to specific section in SDF; can be
|
mode |
if |
ignore.case |
|
... |
option to pass on additional arguments |
...
numeric |
index vector where the name field contains the component positions in the |
list |
if |
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")