Chemical Data Processing Library C++ API - Version 1.1.1
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A class for accessing the data stored in pharmacophore screening databases. More...
#include <ScreeningDBAccessor.hpp>
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 &) |
A class for accessing the data stored in pharmacophore screening databases.
typedef std::shared_ptr<ScreeningDBAccessor> CDPL::Pharm::ScreeningDBAccessor::SharedPointer |
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inlinevirtual |
Virtual destructor.
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pure virtual |
Implemented in CDPL::Pharm::PSDScreeningDBAccessor.
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pure virtual |
Implemented in CDPL::Pharm::PSDScreeningDBAccessor.
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pure virtual |
Implemented in CDPL::Pharm::PSDScreeningDBAccessor.
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pure virtual |
Implemented in CDPL::Pharm::PSDScreeningDBAccessor.
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pure virtual |
Implemented in CDPL::Pharm::PSDScreeningDBAccessor.
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pure virtual |
Implemented in CDPL::Pharm::PSDScreeningDBAccessor.
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pure virtual |
Implemented in CDPL::Pharm::PSDScreeningDBAccessor.
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pure virtual |
Implemented in CDPL::Pharm::PSDScreeningDBAccessor.
|
pure virtual |
Implemented in CDPL::Pharm::PSDScreeningDBAccessor.
|
pure virtual |
Implemented in CDPL::Pharm::PSDScreeningDBAccessor.
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pure virtual |
Implemented in CDPL::Pharm::PSDScreeningDBAccessor.
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pure virtual |
Implemented in CDPL::Pharm::PSDScreeningDBAccessor.
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pure virtual |
Implemented in CDPL::Pharm::PSDScreeningDBAccessor.
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inlineprotected |