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Chemical Data Processing Library C++ API - Version 1.1.1
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29 #ifndef CDPL_CHEM_SMARTSMOLECULARGRAPHWRITER_HPP
30 #define CDPL_CHEM_SMARTSMOLECULARGRAPHWRITER_HPP
45 class SMARTSDataWriter;
92 operator const void*()
const;
100 typedef std::unique_ptr<SMARTSDataWriter> SMARTSDataWriterPtr;
102 std::ostream& output;
104 SMARTSDataWriterPtr writer;
109 #endif // CDPL_CHEM_SMARTSMOLECULARGRAPHWRITER_HPP
Definition of the class CDPL::Base::DataWriter.
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.
MolecularGraph.
Definition: MolecularGraph.hpp:52
A writer for molecular graph data in the Daylight SMARTS [SMARTS] format.
Definition: SMARTSMolecularGraphWriter.hpp:70
Base::DataWriter< MolecularGraph > & write(const MolecularGraph &molgraph)
Writes data of the molecular graph molgraph to the output stream specified in the constructor.
~SMARTSMolecularGraphWriter()
Destructor.
The namespace of the Chemical Data Processing Library.
SMARTSMolecularGraphWriter(std::ostream &os)
Constructs a SMARTSMolecularGraphWriter instance that will write data of molecular graphs to the outp...
An interface for writing data objects of a given type to an arbitrary data sink.
Definition: DataWriter.hpp:63