struct cage::FoundCage

Overview

One cage matching a signature, closed or incomplete. More…

#include <cage_enum.hpp>
 
struct FoundCage {
    // fields
 
    Signature signature;
    std::vector<int> faces;
    std::vector<int> vertices;
    std::string certificate;
    bool closed = true;
    int danglingEdges = 0;
};

Detailed Documentation

One cage matching a signature, closed or incomplete.

Fields

std::vector<int> faces

ring indices into the input vector

std::vector<int> vertices

sorted unique atom indices

std::string certificate

nauty hex, empty when nauty is off

bool closed = true

every face edge used twice

int danglingEdges = 0

edges used once (cups / incomplete)