Functions to Read Fingerprints From Files

Description

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 fingerprint object. fp.read returns a list structure, each element being a fingerprint object.

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)

Usage

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fp.read(f='fingerprint.txt', size=1024, lf=cdk.lf, header=FALSE)
fp.read.to.matrix(f='fingerprint.txt', size=1024, lf=cdk.lf, header=FALSE)

Arguments

f

File containing the fingperprints

size

The bit length of the fingerprints being considered

lf

A line reading function that parses a single line from a fingerprint file. Currently, three such functions are provided that parse the fingerprints from the output of the CDK, MOE and the BCI toolkit, respectively.

header

Indicates whether the first line of the fingerprint file is a header line

Value

A list or matrix of fingerprints

Author(s)

Rajarshi Guha rguha@indiana.edu

See Also

cdk.lf, moe.lf, bci.lf