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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)