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.