cage::FoundCage Struct Reference

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

#include <cage_enum.hpp>

Public Attributes
Signature	signature
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)

Detailed Description

One cage matching a signature, closed or incomplete.

Definition at line 28 of file cage_enum.hpp.

Member Data Documentation

certificate

std::string cage::FoundCage::certificate

nauty hex, empty when nauty is off

Definition at line 32 of file cage_enum.hpp.

closed

bool cage::FoundCage::closed = true

every face edge used twice

Definition at line 33 of file cage_enum.hpp.

danglingEdges

int cage::FoundCage::danglingEdges = 0

edges used once (cups / incomplete)

Definition at line 34 of file cage_enum.hpp.

faces

std::vector<int> cage::FoundCage::faces

ring indices into the input vector

Definition at line 30 of file cage_enum.hpp.

signature

Signature cage::FoundCage::signature

Definition at line 29 of file cage_enum.hpp.

vertices

std::vector<int> cage::FoundCage::vertices

sorted unique atom indices

Definition at line 31 of file cage_enum.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/cage_enum.hpp