29 #ifndef CDPL_BIOMOL_PDBMOLECULARGRAPHWRITER_HPP
30 #define CDPL_BIOMOL_PDBMOLECULARGRAPHWRITER_HPP
83 operator const void*()
const;
87 typedef std::unique_ptr<PDBDataWriter> PDBDataWriterPtr;
91 PDBDataWriterPtr writer;
Definition of the preprocessor macro CDPL_BIOMOL_API.
#define CDPL_BIOMOL_API
Tells the compiler/linker which classes, functions and variables are part of the library API.
Definition of the class CDPL::Base::DataWriter.
An interface for writing data objects of a given type to an arbitrary data sink.
Definition: DataWriter.hpp:63
A writer for molecular graph data in the Brookhaven Protein Data Bank (PDB) [PDB] format.
Definition: PDBMolecularGraphWriter.hpp:57
Base::DataWriter< Chem::MolecularGraph > & write(const Chem::MolecularGraph &molgraph)
Writes data of the molecular graph molgraph to the output stream specified in the constructor.
~PDBMolecularGraphWriter()
Destructor.
PDBMolecularGraphWriter(std::ostream &os)
Constructs a PDBMolecularGraphWriter instance that will write data of molecular graphs to the output ...
PDBMolecularGraphWriter & operator=(const PDBMolecularGraphWriter &)=delete
PDBMolecularGraphWriter(const PDBMolecularGraphWriter &)=delete
bool operator!() const
Tells whether the writer is in a bad state.
MolecularGraph.
Definition: MolecularGraph.hpp:52
The namespace of the Chemical Data Processing Library.