Molecule.h File Reference

Molecule class interface. More...

#include "Molassembler/Graph/GraphInterface.h"
#include "boost/optional.hpp"
#include "Molassembler/BondStereopermutator.h"
#include "Molassembler/Options.h"

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Data Structures
class	Scine::Molassembler::Molecule
	Models a molecule as a graph (connectivity of atoms) and a list of stereopermutators. More...
struct	Scine::Molassembler::Molecule::unsafe_tag_t

Namespaces
	Scine::Molassembler
	Central library namespace.

Functions
std::ostream &	operator<< (std::ostream &os, const Scine::Molassembler::Molecule &molecule)
	Writes some information about a molecule to a stream.

Detailed Description

Molecule class interface.

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. Contains the Molecule class declaration, which is the central class of the library.