CDPL::ConfGen::FragmentConformerGeneratorSettings::FragmentSettings Class Reference

#include <FragmentConformerGeneratorSettings.hpp>

Public Member Functions
	FragmentSettings ()
void	setMaxNumSampledConformers (std::size_t max_num)
std::size_t	getMaxNumSampledConformers () const
void	setMinNumSampledConformers (std::size_t min_num)
std::size_t	getMinNumSampledConformers () const
void	setTimeout (std::size_t mil_secs)
std::size_t	getTimeout () const
void	setEnergyWindow (double win_size)
double	getEnergyWindow () const
void	setMaxNumOutputConformers (std::size_t max_num)
std::size_t	getMaxNumOutputConformers () const
void	setMinRMSD (double min_rmsd)
double	getMinRMSD () const

Constructor & Destructor Documentation

FragmentSettings()

CDPL::ConfGen::FragmentConformerGeneratorSettings::FragmentSettings::FragmentSettings

(

)

Member Function Documentation

setMaxNumSampledConformers()

void CDPL::ConfGen::FragmentConformerGeneratorSettings::FragmentSettings::setMaxNumSampledConformers

(

std::size_t

max_num

)

getMaxNumSampledConformers()

std::size_t CDPL::ConfGen::FragmentConformerGeneratorSettings::FragmentSettings::getMaxNumSampledConformers

(

)

const

setMinNumSampledConformers()

void CDPL::ConfGen::FragmentConformerGeneratorSettings::FragmentSettings::setMinNumSampledConformers

(

std::size_t

min_num

)

getMinNumSampledConformers()

std::size_t CDPL::ConfGen::FragmentConformerGeneratorSettings::FragmentSettings::getMinNumSampledConformers

(

)

const

setTimeout()

void CDPL::ConfGen::FragmentConformerGeneratorSettings::FragmentSettings::setTimeout

(

std::size_t

mil_secs

)

getTimeout()

std::size_t CDPL::ConfGen::FragmentConformerGeneratorSettings::FragmentSettings::getTimeout

(

)

const

setEnergyWindow()

void CDPL::ConfGen::FragmentConformerGeneratorSettings::FragmentSettings::setEnergyWindow

(

double

win_size

)

getEnergyWindow()

double CDPL::ConfGen::FragmentConformerGeneratorSettings::FragmentSettings::getEnergyWindow

(

)

const

setMaxNumOutputConformers()

void CDPL::ConfGen::FragmentConformerGeneratorSettings::FragmentSettings::setMaxNumOutputConformers

(

std::size_t

max_num

)

getMaxNumOutputConformers()

std::size_t CDPL::ConfGen::FragmentConformerGeneratorSettings::FragmentSettings::getMaxNumOutputConformers

(

)

const

setMinRMSD()

void CDPL::ConfGen::FragmentConformerGeneratorSettings::FragmentSettings::setMinRMSD

(

double

min_rmsd

)

getMinRMSD()

double CDPL::ConfGen::FragmentConformerGeneratorSettings::FragmentSettings::getMinRMSD

(

)

const

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

• FragmentConformerGeneratorSettings.hpp