QuACN (version 1.8.0)

informationBondIndex: Information bond index

Description

This method calculates the information bond index.

Usage

informationBondIndex(g)

Arguments

g

a graph as a graphNEL object. Each edge must have a "bond" data attribute containing one of the values 1 (single bond), 2 (double bond), 3 (triple bond) or 1.5 (aromatic bond).

Value

graph. This measure is based on edge weights which are interpreted as the bond multiplicity values.

References

Dosmorov, S.V. Generation of Homogeneous Reaction Mechanism. Kinetics and Catalysis, 1982

Examples

set.seed(987)
g <- randomEGraph(LETTERS[1:10], 0.3)
edgeDataDefaults(g, "bond") <- 1
edgeData(g, "E", "H", "bond") <- 2
edgeData(g, "I", "J", "bond") <- 2

informationBondIndex(g)