CDPL::Pharm::ScreeningDBCreator Class Reference

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< ScreeningDBCreator >	SharedPointer
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
ScreeningDBCreator &	operator= (const ScreeningDBCreator &)

Detailed Description

A class for the creation of optimized pharmacophore screening databases.

Member Typedef Documentation

SharedPointer

typedef std::shared_ptr<ScreeningDBCreator> CDPL::Pharm::ScreeningDBCreator::SharedPointer

ProgressCallbackFunction

typedef std::function<bool(double)> CDPL::Pharm::ScreeningDBCreator::ProgressCallbackFunction

Member Enumeration Documentation

Mode

enum CDPL::Pharm::ScreeningDBCreator::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

Implemented in CDPL::Pharm::PSDScreeningDBCreator.

close()

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

pure virtual

Implemented in CDPL::Pharm::PSDScreeningDBCreator.

getMode()

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

pure virtual

Implemented in CDPL::Pharm::PSDScreeningDBCreator.

allowDuplicateEntries()

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

pure virtual

Implemented in CDPL::Pharm::PSDScreeningDBCreator.

process()

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

pure virtual

Implemented in CDPL::Pharm::PSDScreeningDBCreator.

merge()

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

pure virtual

Implemented in CDPL::Pharm::PSDScreeningDBCreator.

getDatabaseName()

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

pure virtual

Implemented in CDPL::Pharm::PSDScreeningDBCreator.

getNumProcessed()

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

pure virtual

Implemented in CDPL::Pharm::PSDScreeningDBCreator.

getNumRejected()

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

pure virtual

Implemented in CDPL::Pharm::PSDScreeningDBCreator.

getNumDeleted()

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

pure virtual

Implemented in CDPL::Pharm::PSDScreeningDBCreator.

getNumInserted()

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

pure virtual

Implemented in CDPL::Pharm::PSDScreeningDBCreator.

operator=()

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

inlineprotected

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

• ScreeningDBCreator.hpp