.. index:: pair: struct; topo::KeyLibrary
.. _doxid-structtopo_1_1_key_library:

struct topo::KeyLibrary
=======================

.. toctree::
	:hidden:

Overview
~~~~~~~~

A dictionary from local keys to labels: the keys of reference structures (a polymorph library), so any molecule whose rooted neighbourhood matches a reference gets that reference's name. :ref:`More...<details-structtopo_1_1_key_library>`


.. ref-code-block:: cpp
	:class: doxyrest-overview-code-block

	#include <topo_fingerprint.hpp>
	
	struct KeyLibrary {
		// fields
	
		std::string :ref:`method<doxid-structtopo_1_1_key_library_1a47594d7eb9d0e045c8dd5c4076e7d83d>`;
		int :target:`hops<doxid-structtopo_1_1_key_library_1a25441f901b1852385ceb142544392c80>` = 0;
		bool :ref:`coloured<doxid-structtopo_1_1_key_library_1a773f110b6c1c1e0359d7f0f25712b3e4>` = false;
		std::map<std::string, std::string> :ref:`labelOf<doxid-structtopo_1_1_key_library_1a2d23aa2fd8634ff1c0479ba2cc5bd101>`;
	};
.. _details-structtopo_1_1_key_library:

Detailed Documentation
~~~~~~~~~~~~~~~~~~~~~~

A dictionary from local keys to labels: the keys of reference structures (a polymorph library), so any molecule whose rooted neighbourhood matches a reference gets that reference's name.

Keys are only comparable when they come from the same method, hop count and colouring, which the header records.

Fields
------

.. index:: pair: variable; method
.. _doxid-structtopo_1_1_key_library_1a47594d7eb9d0e045c8dd5c4076e7d83d:

.. ref-code-block:: cpp
	:class: doxyrest-title-code-block

	std::string method

"nauty" or "wl"

.. index:: pair: variable; coloured
.. _doxid-structtopo_1_1_key_library_1a773f110b6c1c1e0359d7f0f25712b3e4:

.. ref-code-block:: cpp
	:class: doxyrest-title-code-block

	bool coloured = false

keys were computed with vertex colours

.. index:: pair: variable; labelOf
.. _doxid-structtopo_1_1_key_library_1a2d23aa2fd8634ff1c0479ba2cc5bd101:

.. ref-code-block:: cpp
	:class: doxyrest-title-code-block

	std::map<std::string, std::string> labelOf

key -> label