29 #ifndef CDPL_BIOMOL_MMCIFMOLECULARGRAPHWRITER_HPP
30 #define CDPL_BIOMOL_MMCIFMOLECULARGRAPHWRITER_HPP
51 class MMCIFDataWriter;
88 operator const void*()
const;
98 typedef std::unique_ptr<MMCIFDataWriter> MMCIFDataWriterPtr;
100 std::ostream& output;
102 MMCIFDataWriterPtr 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 class CDPL::Base::DataWriter.
Interface for writing data objects of a given type to an arbitrary data sink.
Definition: DataWriter.hpp:63
Writer for molecular graph data in the Macromolecular Crystallographic Information File (mmCIF) [MMCI...
Definition: MMCIFMolecularGraphWriter.hpp:58
MMCIFMolecularGraphWriter & operator=(const MMCIFMolecularGraphWriter &)=delete
MMCIFMolecularGraphWriter(std::ostream &os)
Constructs a MMCIFMolecularGraphWriter instance that will write data of molecular graphs to the outpu...
bool operator!() const
Tells whether the writer is in a bad (non-writable) state.
MMCIFMolecularGraphWriter(const MMCIFMolecularGraphWriter &)=delete
~MMCIFMolecularGraphWriter()
Destructor.
Base::DataWriter< Chem::MolecularGraph > & write(const Chem::MolecularGraph &molgraph)
Writes data of the molecular graph molgraph to the output stream specified in the constructor.
Abstract base class for representations of a chemical structure as a graph of bonded atoms.
Definition: MolecularGraph.hpp:57
The namespace of the Chemical Data Processing Library.