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)

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

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