MolFileIOData.hh File Reference

#include <core/chemical/sdf/MolFileIOData.fwd.hh>
#include <core/chemical/ResidueGraphTypes.hh>
#include <core/chemical/MutableResidueType.fwd.hh>
#include <core/types.hh>
#include <core/chemical/AtomTypeSet.fwd.hh>
#include <core/chemical/ElementSet.fwd.hh>
#include <core/chemical/MMAtomTypeSet.fwd.hh>
#include <utility/VirtualBase.hh>
#include <numeric/xyzVector.hh>
#include <boost/graph/undirected_graph.hpp>
#include <map>
#include <string>

Classes
class	core::chemical::sdf::MolFileIOAtom
class	core::chemical::sdf::MolFileIOBond
class	core::chemical::sdf::MolFileIOMolecule

Namespaces
	core
	A class for reading in the atom type properties.
	core::chemical
	core::chemical::sdf

Typedefs
typedef boost::undirected_graph < MolFileIOAtomOP, MolFileIOBondOP >	core::chemical::sdf::MolFileIOGraph
typedef MolFileIOGraph::vertex_descriptor	core::chemical::sdf::mioAD
typedef MolFileIOGraph::edge_descriptor	core::chemical::sdf::mioBD
typedef core::Size	core::chemical::sdf::AtomIndex
typedef core::Size	core::chemical::sdf::BondIndex
typedef std::map< std::string, std::string >	core::chemical::sdf::StrStrMap

Functions
bool	core::chemical::sdf::has (MolFileIOGraph const &graph, mioAD vd)
bool	core::chemical::sdf::has (MolFileIOGraph const &graph, mioBD ed)
void	core::chemical::sdf::dump_graph (MolFileIOGraph const &graph)

Detailed Description

Author

Rocco Moretti (rmore.nosp@m.ttia.nosp@m.se@gm.nosp@m.ail..nosp@m.com)