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Chemical Data Processing Library C++ API - Version 1.1.1
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29 #ifndef CDPL_BIOMOL_PDBMOLECULARGRAPHWRITER_HPP
30 #define CDPL_BIOMOL_PDBMOLECULARGRAPHWRITER_HPP
79 operator const void*()
const;
83 typedef std::unique_ptr<PDBDataWriter> PDBDataWriterPtr;
91 PDBDataWriterPtr writer;
96 #endif // CDPL_BIOMOL_PDBMOLECULARGRAPHWRITER_HPP
~PDBMolecularGraphWriter()
Destructor.
Definition of the class CDPL::Base::DataWriter.
MolecularGraph.
Definition: MolecularGraph.hpp:52
A writer for molecular graph data in the Brookhaven Protein Data Bank (PDB) [PDB] format.
Definition: PDBMolecularGraphWriter.hpp:57
Definition of the preprocessor macro CDPL_BIOMOL_API.
The namespace of the Chemical Data Processing Library.
Base::DataWriter< Chem::MolecularGraph > & write(const Chem::MolecularGraph &molgraph)
Writes data of the molecular graph molgraph to the output stream specified in the constructor.
An interface for writing data objects of a given type to an arbitrary data sink.
Definition: DataWriter.hpp:63
#define CDPL_BIOMOL_API
Tells the compiler/linker which classes, functions and variables are part of the library API.
PDBMolecularGraphWriter(std::ostream &os)
Constructs a PDBMolecularGraphWriter instance that will write data of molecular graphs to the output ...