Graph.h File Reference

Interface class for the molecular graph. More...

#include "boost/optional/optional_fwd.hpp"
#include "Utils/Geometry/ElementTypes.h"
#include "Molassembler/Types.h"
#include "Molassembler/IteratorRange.h"
#include <memory>
#include <vector>

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Data Structures
class	Scine::Molassembler::Graph
	Represents the connectivity of atoms of a molecule. More...
class	Scine::Molassembler::Graph::InnerBasedIterator< T, isVertexInitialized >
	Templated iterator facade based on PrivateGraph to provide iterative access to atom indices and edge indices. More...

Namespaces
	Scine
	Scine::Molassembler
	Central library namespace.

Detailed Description

Interface class for the molecular graph.

Copyright

This code is licensed under the 3-clause BSD license. Copyright ETH Zurich, Laboratory of Physical Chemistry, Reiher Group. See LICENSE.txt for details.