fold: Fold

In ChemmineR: Cheminformatics Toolkit for R

Description

Fold a fingerprint. This takes the second half of the fingerprints and combines with the first half with a logical 'OR' operation. The result is a fingerprint with half as many bits.

Usage

fold(x, count = 1, bits = NULL)

Arguments

x	The fingerprint(s) to fold. This can be either an FP or an FPset object.
count	The number of times to fold this fingerprint. Folding will stop early if the fingerprint is reduced down to 1 bit before reaching the requested fold count.
bits	Fold this fingerprint until it is bits bits long. An exception will be thrown if bits is not reachable.

Value

The new, folded, fingerprint.

Author(s)

Kevin Horan

Examples

	fp = new("FP",fp=c(1,0,1,1, 0,0,1,0))
	foldedFp = fold(fp,bits=4)

ChemmineR documentation built on Feb. 28, 2021, 2:02 a.m.