topo::LocalKey Struct Reference

#include <topo_fingerprint.hpp>

Public Attributes
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

Detailed Description

Definition at line 40 of file topo_fingerprint.hpp.

Member Data Documentation

edges

int topo::LocalKey::edges = 0

bonds among them

Definition at line 44 of file topo_fingerprint.hpp.

key

std::string topo::LocalKey::key

canonical certificate or refinement hash

Definition at line 41 of file topo_fingerprint.hpp.

method

std::string topo::LocalKey::method

"nauty" or "wl"

Definition at line 42 of file topo_fingerprint.hpp.

vertices

int topo::LocalKey::vertices = 0

atoms in the neighbourhood, centre included

Definition at line 43 of file topo_fingerprint.hpp.

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The documentation for this struct was generated from the following file:

• /home/runner/work/seams-core/seams-core/src/include/internal/topo_fingerprint.hpp