|
Chemical Data Processing Library C++ API - Version 1.1.1
|
Go to the documentation of this file.
29 #ifndef CDPL_PHARM_SCREENINGDBCREATOR_HPP
30 #define CDPL_PHARM_SCREENINGDBCREATOR_HPP
52 class ScreeningDBAccessor;
78 virtual void open(
const std::string& name,
Mode mode = CREATE,
bool allow_dup_entries =
true) = 0;
109 #endif // CDPL_PHARM_SCREENINGDBCREATOR_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.
virtual void open(const std::string &name, Mode mode=CREATE, bool allow_dup_entries=true)=0
ScreeningDBCreator & operator=(const ScreeningDBCreator &)
Definition: ScreeningDBCreator.hpp:101
Mode
Definition: ScreeningDBCreator.hpp:66
std::shared_ptr< ScreeningDBCreator > SharedPointer
Definition: ScreeningDBCreator.hpp:61
virtual bool allowDuplicateEntries() const =0
virtual bool process(const Chem::MolecularGraph &molgraph)=0
std::function< bool(double)> ProgressCallbackFunction
Definition: ScreeningDBCreator.hpp:63
virtual std::size_t getNumDeleted() const =0
virtual Mode getMode() const =0
MolecularGraph.
Definition: MolecularGraph.hpp:52
virtual const std::string & getDatabaseName() const =0
@ UPDATE
Definition: ScreeningDBCreator.hpp:69
A class for the creation of optimized pharmacophore screening databases.
Definition: ScreeningDBCreator.hpp:58
The namespace of the Chemical Data Processing Library.
@ CREATE
Definition: ScreeningDBCreator.hpp:68
virtual std::size_t getNumProcessed() const =0
virtual std::size_t getNumInserted() const =0
A class for accessing the data stored in pharmacophore screening databases.
Definition: ScreeningDBAccessor.hpp:58
virtual std::size_t getNumRejected() const =0
virtual ~ScreeningDBCreator()
Virtual destructor.
Definition: ScreeningDBCreator.hpp:76
virtual bool merge(const ScreeningDBAccessor &db_acc, const ProgressCallbackFunction &func)=0