struct topo::FrameFingerprint

Overview

#include <topo_fingerprint.hpp>
 
struct FrameFingerprint {
    // fields
 
    std::string key;
    std::string method;
    std::vector<std::string> atomKeys;
    std::map<std::string, int> classes;
    std::vector<int> ringCensus;
    int hops = 0;
    bool coloured = false;
};

Detailed Documentation

Fields

std::string key

hash of the sorted local keys and the ring census

std::string method

method of the local keys

std::vector<std::string> atomKeys

one local key per atom

std::map<std::string, int> classes

local key -> number of atoms carrying it

std::vector<int> ringCensus

ringCensus[s] = primitive rings of size s

bool coloured = false

keys carry vertex colours