Chemical Data Processing Library C++ API - Version 1.1.1
Public Types | Public Member Functions | Protected Member Functions | List of all members
CDPL::Pharm::ScreeningDBCreator Class Referenceabstract

A class for the creation of optimized pharmacophore screening databases. More...

#include <ScreeningDBCreator.hpp>

+ Inheritance diagram for CDPL::Pharm::ScreeningDBCreator:

Public Types

enum  Mode {
  CREATE,
  UPDATE,
  APPEND
}
 
typedef std::shared_ptr< ScreeningDBCreatorSharedPointer
 
typedef std::function< bool(double)> ProgressCallbackFunction
 

Public Member Functions

virtual ~ScreeningDBCreator ()
 Virtual destructor. More...
 
virtual void open (const std::string &name, Mode mode=CREATE, bool allow_dup_entries=true)=0
 
virtual void close ()=0
 
virtual Mode getMode () const =0
 
virtual bool allowDuplicateEntries () const =0
 
virtual bool process (const Chem::MolecularGraph &molgraph)=0
 
virtual bool merge (const ScreeningDBAccessor &db_acc, const ProgressCallbackFunction &func)=0
 
virtual const std::string & getDatabaseName () const =0
 
virtual std::size_t getNumProcessed () const =0
 
virtual std::size_t getNumRejected () const =0
 
virtual std::size_t getNumDeleted () const =0
 
virtual std::size_t getNumInserted () const =0
 

Protected Member Functions

ScreeningDBCreatoroperator= (const ScreeningDBCreator &)
 

Detailed Description

A class for the creation of optimized pharmacophore screening databases.

Member Typedef Documentation

◆ SharedPointer

◆ ProgressCallbackFunction

Member Enumeration Documentation

◆ Mode

Enumerator
CREATE 
UPDATE 
APPEND 

Constructor & Destructor Documentation

◆ ~ScreeningDBCreator()

virtual CDPL::Pharm::ScreeningDBCreator::~ScreeningDBCreator ( )
inlinevirtual

Virtual destructor.

Member Function Documentation

◆ open()

virtual void CDPL::Pharm::ScreeningDBCreator::open ( const std::string &  name,
Mode  mode = CREATE,
bool  allow_dup_entries = true 
)
pure virtual

◆ close()

virtual void CDPL::Pharm::ScreeningDBCreator::close ( )
pure virtual

◆ getMode()

virtual Mode CDPL::Pharm::ScreeningDBCreator::getMode ( ) const
pure virtual

◆ allowDuplicateEntries()

virtual bool CDPL::Pharm::ScreeningDBCreator::allowDuplicateEntries ( ) const
pure virtual

◆ process()

virtual bool CDPL::Pharm::ScreeningDBCreator::process ( const Chem::MolecularGraph molgraph)
pure virtual

◆ merge()

virtual bool CDPL::Pharm::ScreeningDBCreator::merge ( const ScreeningDBAccessor db_acc,
const ProgressCallbackFunction func 
)
pure virtual

◆ getDatabaseName()

virtual const std::string& CDPL::Pharm::ScreeningDBCreator::getDatabaseName ( ) const
pure virtual

◆ getNumProcessed()

virtual std::size_t CDPL::Pharm::ScreeningDBCreator::getNumProcessed ( ) const
pure virtual

◆ getNumRejected()

virtual std::size_t CDPL::Pharm::ScreeningDBCreator::getNumRejected ( ) const
pure virtual

◆ getNumDeleted()

virtual std::size_t CDPL::Pharm::ScreeningDBCreator::getNumDeleted ( ) const
pure virtual

◆ getNumInserted()

virtual std::size_t CDPL::Pharm::ScreeningDBCreator::getNumInserted ( ) const
pure virtual

◆ operator=()

ScreeningDBCreator& CDPL::Pharm::ScreeningDBCreator::operator= ( const ScreeningDBCreator )
inlineprotected

The documentation for this class was generated from the following file: