namespace cage

Overview

Functions for topological network criteria cage types. More…

namespace cage {
 
// structs
 
struct Cage;
 
// global functions
 
bool nautyAvailable();
std::string canonicalCertificate(const std::vector<std::vector<int>>& rings);
bool isHexagonalPrism(const std::vector<std::vector<int>>& rings);
bool sameCertificate(const std::vector<std::vector<int>>& a, const std::vector<std::vector<int>>& b);
 
} // namespace cage

Detailed Documentation

Functions for topological network criteria cage types.

This namespace contains structs and enums for cage types

Type definitions for atoms, rings and cages which are DDCs and HCs.

Changelog