bertz: Bertz complexity index

Description Usage Arguments Details Value Author(s) References Examples

View source: R/bertz.R

Description

This method calculates BERTZ complexity index.

Usage

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bertz(g, dist = NULL, deg = NULL)

Arguments

g

a graph as a graphNEL object.

dist

the distance matrix of the graph. If the parameter is empty the distance matrix will be calculated within the function.

deg

the degree of each nodes of the graph. If the parameter is empty the degrees will be calculated within the function.

Details

This method calculates the BERTZ complexity index.

Value

It returns the BERTZ complexity index.

Author(s)

Laurin Mueller

References

S. H. Bertz. The first general index of molecular complexity. Journal of the American Chemical Society, 103:3241-3243, 1981

Examples

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library(graph)
library(RBGL)
set.seed(123)
g <- randomGraph(1:8, 1:5, 0.36, weights=FALSE)

#calculate Distance Matrix
mat.dist <- distanceMatrix(g)

bertz(g,mat.dist)

Example output

Loading required package: graph
Loading required package: BiocGenerics
Loading required package: parallel

Attaching package: 'BiocGenerics'

The following objects are masked from 'package:parallel':

    clusterApply, clusterApplyLB, clusterCall, clusterEvalQ,
    clusterExport, clusterMap, parApply, parCapply, parLapply,
    parLapplyLB, parRapply, parSapply, parSapplyLB

The following objects are masked from 'package:stats':

    IQR, mad, sd, var, xtabs

The following objects are masked from 'package:base':

    Filter, Find, Map, Position, Reduce, anyDuplicated, append,
    as.data.frame, cbind, colMeans, colSums, colnames, do.call,
    duplicated, eval, evalq, get, grep, grepl, intersect, is.unsorted,
    lapply, lengths, mapply, match, mget, order, paste, pmax, pmax.int,
    pmin, pmin.int, rank, rbind, rowMeans, rowSums, rownames, sapply,
    setdiff, sort, table, tapply, union, unique, unsplit, which,
    which.max, which.min

Loading required package: RBGL
Loading required package: combinat

Attaching package: 'combinat'

The following object is masked from 'package:utils':

    combn


Attaching package: 'QuACN'

The following object is masked from 'package:graph':

    adjacencyMatrix

[1] 46

QuACN documentation built on May 31, 2017, 3:51 a.m.