find_pair_atom.m

This function does a cross check of the bond matrix

Contents

Version
Contact
Examples

Version

2.11

Contact

Please report problems/bugs to michael.holmboe@umu.se

Examples

ind_12 = find_pair_atom(atom,bond_matrix,Atom_label1,Atom_label2)

function ind_12 = find_pair_atom(atom,bond_matrix,Atom_label1,Atom_label2)

ind_1=find(ismember([atom.type],Atom_label1));
ind_2=find(ismember([atom.type],Atom_label2));
[row,col]=find(bond_matrix(ind_2,:));
ind_12=intersect(col,ind_1);