QuACN (version 1.8.0)

bertz: Bertz complexity index

Description

This method calculates BERTZ complexity index.

Usage

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.

Value

Details

This method calculates the BERTZ complexity index.

References

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

Examples

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)