CDPL::ConfGen::FragmentLibraryGenerator Class Reference

FragmentLibraryGenerator. More...

#include <FragmentLibraryGenerator.hpp>

Public Member Functions
	FragmentLibraryGenerator ()
	FragmentLibraryGenerator (const FragmentLibrary::SharedPointer &lib)
	FragmentLibraryGenerator (const FragmentLibraryGenerator &)=delete
FragmentLibraryGenerator &	operator= (const FragmentLibraryGenerator &)=delete
void	setFragmentLibrary (const FragmentLibrary::SharedPointer &lib)
const FragmentLibrary::SharedPointer &	getFragmentLibrary () const
FragmentConformerGeneratorSettings &	getSettings ()
const FragmentConformerGeneratorSettings &	getSettings () const
void	setAbortCallback (const CallbackFunction &func)
const CallbackFunction &	getAbortCallback () const
void	setTimeoutCallback (const CallbackFunction &func)
const CallbackFunction &	getTimeoutCallback () const
void	setLogMessageCallback (const LogMessageCallbackFunction &func)
const LogMessageCallbackFunction &	getLogMessageCallback () const
unsigned int	process (const Chem::MolecularGraph &frag, const Chem::MolecularGraph &parent)
std::size_t	getNumGeneratedConformers () const
std::uint64_t	getLibraryEntryHashCode () const

Detailed Description

FragmentLibraryGenerator.

Constructor & Destructor Documentation

FragmentLibraryGenerator() [1/3]

CDPL::ConfGen::FragmentLibraryGenerator::FragmentLibraryGenerator

(

)

FragmentLibraryGenerator() [2/3]

CDPL::ConfGen::FragmentLibraryGenerator::FragmentLibraryGenerator

(

const FragmentLibrary::SharedPointer &

lib

)

FragmentLibraryGenerator() [3/3]

CDPL::ConfGen::FragmentLibraryGenerator::FragmentLibraryGenerator ( const FragmentLibraryGenerator &  )

delete

Member Function Documentation

operator=()

FragmentLibraryGenerator& CDPL::ConfGen::FragmentLibraryGenerator::operator= ( const FragmentLibraryGenerator &  )

delete

setFragmentLibrary()

void CDPL::ConfGen::FragmentLibraryGenerator::setFragmentLibrary

(

const FragmentLibrary::SharedPointer &

lib

)

getFragmentLibrary()

const FragmentLibrary::SharedPointer& CDPL::ConfGen::FragmentLibraryGenerator::getFragmentLibrary

(

)

const

getSettings() [1/2]

FragmentConformerGeneratorSettings& CDPL::ConfGen::FragmentLibraryGenerator::getSettings

(

)

getSettings() [2/2]

const FragmentConformerGeneratorSettings& CDPL::ConfGen::FragmentLibraryGenerator::getSettings

(

)

const

setAbortCallback()

void CDPL::ConfGen::FragmentLibraryGenerator::setAbortCallback

(

const CallbackFunction &

func

)

getAbortCallback()

const CallbackFunction& CDPL::ConfGen::FragmentLibraryGenerator::getAbortCallback

(

)

const

setTimeoutCallback()

void CDPL::ConfGen::FragmentLibraryGenerator::setTimeoutCallback

(

const CallbackFunction &

func

)

getTimeoutCallback()

const CallbackFunction& CDPL::ConfGen::FragmentLibraryGenerator::getTimeoutCallback

(

)

const

setLogMessageCallback()

void CDPL::ConfGen::FragmentLibraryGenerator::setLogMessageCallback

(

const LogMessageCallbackFunction &

func

)

getLogMessageCallback()

const LogMessageCallbackFunction& CDPL::ConfGen::FragmentLibraryGenerator::getLogMessageCallback

(

)

const

process()

unsigned int CDPL::ConfGen::FragmentLibraryGenerator::process	(	const Chem::MolecularGraph &	frag,
		const Chem::MolecularGraph &	parent
	)

getNumGeneratedConformers()

std::size_t CDPL::ConfGen::FragmentLibraryGenerator::getNumGeneratedConformers

(

)

const

getLibraryEntryHashCode()

std::uint64_t CDPL::ConfGen::FragmentLibraryGenerator::getLibraryEntryHashCode

(

)

const

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

• FragmentLibraryGenerator.hpp