29 #ifndef CDPL_CHEM_SMILESREACTIONWRITER_HPP
30 #define CDPL_CHEM_SMILESREACTIONWRITER_HPP
45 class SMILESDataWriter;
156 operator const void*()
const;
160 typedef std::unique_ptr<SMILESDataWriter> SMILESDataWriterPtr;
162 std::ostream& output;
164 SMILESDataWriterPtr 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
Reaction.
Definition: Reaction.hpp:52
A writer for reaction data in the Daylight SMILES [SMILES] format.
Definition: SMILESReactionWriter.hpp:130
Base::DataWriter< Reaction > & write(const Reaction &rxn)
Writes the reaction rxn to the output stream specified in the constructor.
SMILESReactionWriter & operator=(const SMILESReactionWriter &)=delete
~SMILESReactionWriter()
Destructor.
SMILESReactionWriter(const SMILESReactionWriter &)=delete
SMILESReactionWriter(std::ostream &os)
Constructs a SMILESReactionWriter instance that will write the reaction data to the output stream os.
bool operator!() const
Tells whether the writer is in a bad state.
The namespace of the Chemical Data Processing Library.