Chemical Data Processing Library C++ API - Version 1.1.1
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#include <ScreeningProcessor.hpp>
Public Types | |
typedef std::shared_ptr< ScreeningProcessor > | SharedPointer |
typedef boost::indirect_iterator< MolecularGraphList::const_iterator, const Chem::MolecularGraph > | ConstMolecularGraphIterator |
typedef std::function< void(const Chem::MolecularGraph &, const Chem::MolecularGraph &, const AlignmentResult &)> | HitCallbackFunction |
Public Member Functions | |
ScreeningProcessor () | |
ScreeningProcessor (const Chem::MolecularGraph &query) | |
~ScreeningProcessor () | |
void | setHitCallback (const HitCallbackFunction &func) |
const HitCallbackFunction & | getHitCallback () const |
const ScreeningSettings & | getSettings () const |
ScreeningSettings & | getSettings () |
void | clearQuerySet () |
void | addQuery (const Chem::MolecularGraph &molgraph) |
std::size_t | getQuerySetSize () const |
const Chem::MolecularGraph & | getQuery (std::size_t idx) const |
ConstMolecularGraphIterator | getQuerySetBegin () const |
ConstMolecularGraphIterator | getQuerySetEnd () const |
bool | process (const Chem::MolecularGraph &molgraph) |
typedef std::shared_ptr<ScreeningProcessor> CDPL::Shape::ScreeningProcessor::SharedPointer |
typedef boost::indirect_iterator<MolecularGraphList::const_iterator, const Chem::MolecularGraph> CDPL::Shape::ScreeningProcessor::ConstMolecularGraphIterator |
typedef std::function<void(const Chem::MolecularGraph&, const Chem::MolecularGraph&, const AlignmentResult&)> CDPL::Shape::ScreeningProcessor::HitCallbackFunction |
CDPL::Shape::ScreeningProcessor::ScreeningProcessor | ( | ) |
CDPL::Shape::ScreeningProcessor::ScreeningProcessor | ( | const Chem::MolecularGraph & | query | ) |
CDPL::Shape::ScreeningProcessor::~ScreeningProcessor | ( | ) |
void CDPL::Shape::ScreeningProcessor::setHitCallback | ( | const HitCallbackFunction & | func | ) |
const HitCallbackFunction& CDPL::Shape::ScreeningProcessor::getHitCallback | ( | ) | const |
const ScreeningSettings& CDPL::Shape::ScreeningProcessor::getSettings | ( | ) | const |
ScreeningSettings& CDPL::Shape::ScreeningProcessor::getSettings | ( | ) |
void CDPL::Shape::ScreeningProcessor::clearQuerySet | ( | ) |
void CDPL::Shape::ScreeningProcessor::addQuery | ( | const Chem::MolecularGraph & | molgraph | ) |
std::size_t CDPL::Shape::ScreeningProcessor::getQuerySetSize | ( | ) | const |
const Chem::MolecularGraph& CDPL::Shape::ScreeningProcessor::getQuery | ( | std::size_t | idx | ) | const |
ConstMolecularGraphIterator CDPL::Shape::ScreeningProcessor::getQuerySetBegin | ( | ) | const |
ConstMolecularGraphIterator CDPL::Shape::ScreeningProcessor::getQuerySetEnd | ( | ) | const |
bool CDPL::Shape::ScreeningProcessor::process | ( | const Chem::MolecularGraph & | molgraph | ) |