Description Usage Arguments Value Author(s) References Examples
View source: R/atomBondConnectivity.R
This method calculates the atom-bond connectivity index.
1 | atomBondConnectivity(g, deg = NULL)
|
g |
a graph as a graphNEL object. |
deg |
the degree of each node of g. Will be automatically calculated if not supplied. |
This method returns the atom-bond connectivity index of a graph as a double-precision floating point value.
Lavanya Sivakumar, Michael Schutte
E. Estrada and L. Torres and L. Rodriguez and I. Gutman: An atom-bond connectivity index: Modelling the enthalpy of formation of alkanes. Indian Journal of Chemistry 37A, 1998, 849-855.
1 2 3 4 5 6 7 8 | library(graph)
set.seed(123)
g <- randomEGraph(as.character(1:9), 0.5)
# optional: pre-calculate degree of nodes in g
vec.degree <- graph::degree(g)
atomBondConnectivity(g, vec.degree)
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