Vdistance_matrix: Moleculors vertex distance matrix

Description Usage Value Examples

View source: R/Molecular_graph_V01.R

Description

This function take the adjacency matrix as input and generate a connection list where the index is related to the atom and the value in the index list are the atoms to which that atom is connected For each element with d != 1 is then calculated the distance by taking the value in the connection list copying those into the connection vector and if the interested atom j is not in the connection vector a new vector is created with all the connection of the atom to which the first atoms was connected this is looped increasing distance at each failed loop to detect the interested element.

Usage

1

Value

Vertex distance matrix for the loaded molecule. Matrix is stored in Mol_mat environment.

Examples

1

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