|
Chemical Data Processing Library C++ API - Version 1.1.1
|
Go to the documentation of this file.
29 #ifndef CDPL_PHARM_PSDMOLECULARGRAPHWRITER_HPP
30 #define CDPL_PHARM_PSDMOLECULARGRAPHWRITER_HPP
79 operator const void*()
const;
84 std::iostream* output;
85 std::streampos outputPos;
92 #endif // CDPL_PHARM_PSDMOLECULARGRAPHWRITER_HPP
Definition of the preprocessor macro CDPL_PHARM_API.
#define CDPL_PHARM_API
Tells the compiler/linker which classes, functions and variables are part of the library API.
Definition of the class CDPL::Base::DataWriter.
A writer for molecular graph data in the PSD-format of the CDPL.
Definition: PSDMolecularGraphWriter.hpp:56
PSDMolecularGraphWriter(std::iostream &ios)
Constructs a PSDMolecularGraphWriter instance that will write the molecular graph data to the I/O str...
A class for the creation of optimized pharmacophore screening databases.
Definition: PSDScreeningDBCreator.hpp:50
void close()
Writes format dependent data (if required) to mark the end of output.
MolecularGraph.
Definition: MolecularGraph.hpp:52
PSDMolecularGraphWriter(const std::string &file_name)
Constructs a PSDMolecularGraphWriter instance that will write the molecular graph data to the output ...
PSDMolecularGraphWriter & write(const Chem::MolecularGraph &molgraph)
Writes the data object obj.
The namespace of the Chemical Data Processing Library.
~PSDMolecularGraphWriter()
Definition of the class CDPL::Pharm::PSDScreeningDBCreator.
An interface for writing data objects of a given type to an arbitrary data sink.
Definition: DataWriter.hpp:63