/fingerprint/man/read.Rd
http://github.com/rajarshi/cdkr · Unknown · 64 lines · 58 code · 6 blank · 0 comment · 0 complexity · 9c6c3ba8ac30ddb3b14803c93dce2a74 MD5 · raw file
- \name{fp.read, fp.read.to.matrix}
- \alias{fp.read}
- \alias{fp.read.to.matrix}
- \title{
- Functions to Read Fingerprints From Files
- }
- \description{
- \code{fp.read} reads in a set of fingerprints from a file. Fingerprint
- output from the CDK, MOE and BCI can be handled.
- Each fingerprint is represented as a \code{fingerprint} object.
- \code{fp.read} returns a \code{list} structure, each element being a
- \code{fingerprint} or \code{nfeatvec} object, depending on the value
- of the \code{binary} argument.
- \code{fp.read.to.matrix} is a utility function that reads the fingerprints directly to
- matrix form (columns are the bit positions and the rows are the objects whose fingerprints
- have been evaluated). Note that this method does not currently work with feature vector
- fingerprints.
- }
- \usage{
- fp.read(f='fingerprint.txt', size=1024, lf=cdk.lf, header=FALSE, binary=TRUE)
- fp.read.to.matrix(f='fingerprint.txt', size=1024, lf=cdk.lf, header=FALSE)
- }
- \arguments{
- \item{f}{
- File containing the fingperprints
- }
- \item{size}{
- The bit length of the fingerprints being considered
- }
- \item{lf}{
- A line reading function that parses a single line from
- a fingerprint file. A number of functions are provided
- that parse the fingerprints from the output of the CDK, MOE and the
- BCI toolkit. In addition, support is now available for the FPS format
- from the chemfp project (\url{http://code.google.com/p/chem-fingerprints}).
- }
- \item{header}{
- Indicates whether the first line of the fingerprint file is
- a header line
- }
- \item{binary}{
- If \code{TRUE} indicates that a binary fingerprint will be read in. Otherwise indicates
- that a feature vector style fingerprint (such as from a circular fingerprint) is being
- read in
- }
- }
- \seealso{
- \code{\link{cdk.lf}},
- \code{\link{moe.lf}},
- \code{\link{bci.lf}},
- \code{\link{ecfp.lf}},
- \code{\link{fps.lf}}
- }
- \value{
- A \code{list} or \code{matrix} of fingerprints
- }
- \author{Rajarshi Guha \email{rajarshi.guha@gmail.com}}
- \keyword{logic}