Molassembler  3.0.0
Molecule graph and conformer library
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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.