CDPL::Pharm::ScreeningDBAccessor Class Reference

A class for accessing the data stored in pharmacophore screening databases. More...

#include <ScreeningDBAccessor.hpp>

Inheritance diagram for CDPL::Pharm::ScreeningDBAccessor:

Public Types
typedef std::shared_ptr< ScreeningDBAccessor >	SharedPointer

Public Member Functions
virtual	~ScreeningDBAccessor ()
	Virtual destructor. More...
virtual void	open (const std::string &name)=0
virtual void	close ()=0
virtual const std::string &	getDatabaseName () const =0
virtual std::size_t	getNumMolecules () const =0
virtual std::size_t	getNumPharmacophores () const =0
virtual std::size_t	getNumPharmacophores (std::size_t mol_idx) const =0
virtual void	getMolecule (std::size_t mol_idx, Chem::Molecule &mol, bool overwrite=true) const =0
virtual void	getPharmacophore (std::size_t pharm_idx, Pharmacophore &pharm, bool overwrite=true) const =0
virtual void	getPharmacophore (std::size_t mol_idx, std::size_t mol_conf_idx, Pharmacophore &pharm, bool overwrite=true) const =0
virtual std::size_t	getMoleculeIndex (std::size_t pharm_idx) const =0
virtual std::size_t	getConformationIndex (std::size_t pharm_idx) const =0
virtual const FeatureTypeHistogram &	getFeatureCounts (std::size_t pharm_idx) const =0
virtual const FeatureTypeHistogram &	getFeatureCounts (std::size_t mol_idx, std::size_t mol_conf_idx) const =0

Protected Member Functions
ScreeningDBAccessor &	operator= (const ScreeningDBAccessor &)

Detailed Description

A class for accessing the data stored in pharmacophore screening databases.

Member Typedef Documentation

SharedPointer

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

Constructor & Destructor Documentation

~ScreeningDBAccessor()

virtual CDPL::Pharm::ScreeningDBAccessor::~ScreeningDBAccessor ( )

inlinevirtual

Virtual destructor.

Member Function Documentation

open()

virtual void CDPL::Pharm::ScreeningDBAccessor::open ( const std::string &  name )

pure virtual

Implemented in CDPL::Pharm::PSDScreeningDBAccessor.

close()

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

pure virtual

Implemented in CDPL::Pharm::PSDScreeningDBAccessor.

getDatabaseName()

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

pure virtual

Implemented in CDPL::Pharm::PSDScreeningDBAccessor.

getNumMolecules()

virtual std::size_t CDPL::Pharm::ScreeningDBAccessor::getNumMolecules ( ) const

pure virtual

Implemented in CDPL::Pharm::PSDScreeningDBAccessor.

getNumPharmacophores() [1/2]

virtual std::size_t CDPL::Pharm::ScreeningDBAccessor::getNumPharmacophores ( ) const

pure virtual

Implemented in CDPL::Pharm::PSDScreeningDBAccessor.

getNumPharmacophores() [2/2]

virtual std::size_t CDPL::Pharm::ScreeningDBAccessor::getNumPharmacophores ( std::size_t  mol_idx ) const

pure virtual

Implemented in CDPL::Pharm::PSDScreeningDBAccessor.

getMolecule()

virtual void CDPL::Pharm::ScreeningDBAccessor::getMolecule ( std::size_t  mol_idx, Chem::Molecule &  mol, bool  overwrite = true  ) const

pure virtual

Implemented in CDPL::Pharm::PSDScreeningDBAccessor.

getPharmacophore() [1/2]

virtual void CDPL::Pharm::ScreeningDBAccessor::getPharmacophore ( std::size_t  pharm_idx, Pharmacophore &  pharm, bool  overwrite = true  ) const

pure virtual

Implemented in CDPL::Pharm::PSDScreeningDBAccessor.

getPharmacophore() [2/2]

virtual void CDPL::Pharm::ScreeningDBAccessor::getPharmacophore ( std::size_t  mol_idx, std::size_t  mol_conf_idx, Pharmacophore &  pharm, bool  overwrite = true  ) const

pure virtual

Implemented in CDPL::Pharm::PSDScreeningDBAccessor.

getMoleculeIndex()

virtual std::size_t CDPL::Pharm::ScreeningDBAccessor::getMoleculeIndex ( std::size_t  pharm_idx ) const

pure virtual

Implemented in CDPL::Pharm::PSDScreeningDBAccessor.

getConformationIndex()

virtual std::size_t CDPL::Pharm::ScreeningDBAccessor::getConformationIndex ( std::size_t  pharm_idx ) const

pure virtual

Implemented in CDPL::Pharm::PSDScreeningDBAccessor.

getFeatureCounts() [1/2]

virtual const FeatureTypeHistogram& CDPL::Pharm::ScreeningDBAccessor::getFeatureCounts ( std::size_t  pharm_idx ) const

pure virtual

Implemented in CDPL::Pharm::PSDScreeningDBAccessor.

getFeatureCounts() [2/2]

virtual const FeatureTypeHistogram& CDPL::Pharm::ScreeningDBAccessor::getFeatureCounts ( std::size_t  mol_idx, std::size_t  mol_conf_idx  ) const

pure virtual

Implemented in CDPL::Pharm::PSDScreeningDBAccessor.

operator=()

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

inlineprotected

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

• ScreeningDBAccessor.hpp