A FMCS solver package.

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Description

The package consists of two main functions, fmcs which computes the flexible MCS between two SDF objects. And fmcsBatch runs the FMCS algorithm on a SDFset.

Details

Package: fmcsR
Type: Package
Version: 1.0
Date: 2012-02-01

Author(s)

Yan Wang

Maintainer: Yan Wang <wangya@cs.ucr.edu>

Examples

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library(fmcsR)
data(sdfsample)
sdfset <- sdfsample
result1 <- fmcs(sdfset[[1]], sdfset[[2]])
result2 <- fmcs(sdfset[[1]], sdfset[[2]], au=3)
result3 <- fmcs(sdfset[[1]], sdfset[[2]], bu=3)
result4 <- fmcs(sdfset[[1]], sdfset[[2]], au=1, bu=1)
result5 <- fmcs(sdfset[[1]], sdfset[[2]], matching.mode="aromatic")
result6 <- fmcs(sdfset[[1]], sdfset[[2]], au=2, bu=1, matching.mode="aromatic")

fmcsBatch(sdfset[[1]], sdfset[1:3])
fmcsBatch(sdfset[[1]], sdfset[1:3], au=2)
fmcsBatch(sdfset[[1]], sdfset[1:3], bu=1)
fmcsBatch(sdfset[[1]], sdfset[1:3], matching.mode="aromatic", au=1, bu=1)