First_order_kappa_calc: Moleculors Kappa shape index first order

In FedericoViv/Moleculors:

Description

This function takes the vertex adjacency matrix and the edge adjacency matrix and return the first order Kappa shape index. This parameters gives information about the shape of the molecule. As K is calculated as Pmin * Pmax /P where Pmin = V -1 Pmax = V * 'V-1' and P is the number of paths of the molecules aka edges. This parameter gives information about the numbers of cycles inside the molecule. The lower K compared to V the more cycle are present.

Usage

First_order_kappa_calc()

Value

First order kappa shape index. Value is stored in Ouput_descp environment.

Examples

First_order_kappa_calc()

FedericoViv/Moleculors documentation built on Jan. 17, 2022, 12:23 a.m.