29 #ifndef CDPL_CHEM_RXNREACTIONWRITER_HPP
30 #define CDPL_CHEM_RXNREACTIONWRITER_HPP
147 operator const void*()
const;
151 typedef std::unique_ptr<MDLDataWriter> MDLDataWriterPtr;
153 std::ostream& output;
155 MDLDataWriterPtr writer;
Definition of the preprocessor macro CDPL_CHEM_API.
#define CDPL_CHEM_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 reaction data in the MDL Rxn-File [CTFILE] format.
Definition: RXNReactionWriter.hpp:121
RXNReactionWriter(std::ostream &os)
Constructs a RXNReactionWriter instance that will write the reaction data to the output stream os.
RXNReactionWriter(const RXNReactionWriter &)=delete
RXNReactionWriter & operator=(const RXNReactionWriter &)=delete
~RXNReactionWriter()
Destructor.
bool operator!() const
Tells whether the writer is in a bad state.
Base::DataWriter< Reaction > & write(const Reaction &rxn)
Writes the reaction rxn to the output stream specified in the constructor.
Reaction.
Definition: Reaction.hpp:52
The namespace of the Chemical Data Processing Library.