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, Department of Chemistry and Applied Biosciences, Reiher Group. See LICENSE.txt for details.

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