|
Chemical Data Processing Library C++ API - Version 1.1.1
|
Go to the documentation of this file.
29 #ifndef CDPL_PHARM_PSDPHARMACOPHOREREADER_HPP
30 #define CDPL_PHARM_PSDPHARMACOPHOREREADER_HPP
84 operator const void*()
const;
89 std::size_t recordIndex;
90 std::size_t numRecords;
96 #endif // CDPL_PHARM_PSDPHARMACOPHOREREADER_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.
PSDPharmacophoreReader & skip()
Skips the data record at the current record index.
PSDPharmacophoreReader & read(Pharmacophore &pharm, bool overwrite=true)
Definition of the class CDPL::Base::DataReader.
PSDPharmacophoreReader(std::istream &is)
Constructs a PSDPharmacophoreReader instance that will read the pharmacophore data from the input str...
void setRecordIndex(std::size_t idx)
Sets the index of the current data record to idx.
A class for accessing pharmacophore screening databases in the built-in optimized format.
Definition: PSDScreeningDBAccessor.hpp:50
An interface for reading data objects of a given type from an arbitrary data source.
Definition: DataReader.hpp:73
~PSDPharmacophoreReader()
Definition of the class CDPL::Pharm::PSDScreeningDBAccessor.
Pharmacophore.
Definition: Pharmacophore.hpp:48
bool hasMoreData()
Tells if there are any data records left to read.
std::size_t getNumRecords()
Returns the total number of available data records.
A reader for pharmacophore data in the PSD-format of the CDPL.
Definition: PSDPharmacophoreReader.hpp:52
The namespace of the Chemical Data Processing Library.
std::size_t getRecordIndex() const
PSDPharmacophoreReader(const std::string &file_name)
Constructs a PSDPharmacophoreReader instance that will read the pharmacophore data from the input fil...
PSDPharmacophoreReader & read(std::size_t idx, Pharmacophore &pharm, bool overwrite=true)