fmcsR-package: A FMCS solver package.

Description Details Author(s) Examples

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)


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