Chemical Data Processing Library C++ API - Version 1.1.1
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A class for the creation of optimized pharmacophore screening databases. More...
#include <ScreeningDBCreator.hpp>
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 &) |
A class for the creation of optimized pharmacophore screening databases.
typedef std::shared_ptr<ScreeningDBCreator> CDPL::Pharm::ScreeningDBCreator::SharedPointer |
typedef std::function<bool(double)> CDPL::Pharm::ScreeningDBCreator::ProgressCallbackFunction |
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inlinevirtual |
Virtual destructor.
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pure virtual |
Implemented in CDPL::Pharm::PSDScreeningDBCreator.
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pure virtual |
Implemented in CDPL::Pharm::PSDScreeningDBCreator.
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pure virtual |
Implemented in CDPL::Pharm::PSDScreeningDBCreator.
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pure virtual |
Implemented in CDPL::Pharm::PSDScreeningDBCreator.
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pure virtual |
Implemented in CDPL::Pharm::PSDScreeningDBCreator.
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pure virtual |
Implemented in CDPL::Pharm::PSDScreeningDBCreator.
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pure virtual |
Implemented in CDPL::Pharm::PSDScreeningDBCreator.
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pure virtual |
Implemented in CDPL::Pharm::PSDScreeningDBCreator.
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pure virtual |
Implemented in CDPL::Pharm::PSDScreeningDBCreator.
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pure virtual |
Implemented in CDPL::Pharm::PSDScreeningDBCreator.
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pure virtual |
Implemented in CDPL::Pharm::PSDScreeningDBCreator.
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inlineprotected |