struct topo::LocalKey

Overview

#include <topo_fingerprint.hpp>
 
struct LocalKey {
    // fields
 
    std::string key;
    std::string method;
    int vertices = 0;
    int edges = 0;
};

Detailed Documentation

Fields

std::string key

canonical certificate or refinement hash

std::string method

“nauty” or “wl”

int vertices = 0

atoms in the neighbourhood, centre included

int edges = 0

bonds among them