JobInputData Class Reference

#include <dock.h>

Public Member Functions
template<class Archive >
void	serialize (Archive &ar, const unsigned int version)

Public Attributes
bool	flexible
bool	randomize
int	cpu
int	exhaustiveness
int	num_modes
int	seed
int	n [3]
double	energy_range
double	granularity
double	begin [3]
double	end [3]
char	ligBuffer [100]
char	ligFile [100000]
char	recBuffer [100]
char	fleBuffer [100]
bool	useScoreCF
double	scoreCF
std::string	ligBuffer
std::string	ligFile
std::string	recBuffer
std::string	fleBuffer

Friends
class	boost::serialization::access

Member Function Documentation

template<class Archive >

void JobInputData::serialize ( Archive &  ar, const unsigned int  version  )

inline

References begin, cpu, end, energy_range, exhaustiveness, fleBuffer, flexible, granularity, ligBuffer, ligFile, n, num_modes, randomize, recBuffer, scoreCF, seed, and useScoreCF.

Friends And Related Function Documentation

friend class boost::serialization::access

friend

Member Data Documentation

bool JobInputData::flexible

Referenced by dockjob(), main(), and serialize().

bool JobInputData::randomize

Referenced by main(), mpiParser(), and serialize().

int JobInputData::cpu

Referenced by dockjob(), main(), mpiParser(), and serialize().

int JobInputData::exhaustiveness

Referenced by dockjob(), mpiParser(), and serialize().

int JobInputData::num_modes

Referenced by dockjob(), mpiParser(), and serialize().

int JobInputData::seed

Referenced by dockjob(), main(), mpiParser(), and serialize().

int JobInputData::n

Referenced by dockjob(), geometry(), and serialize().

double JobInputData::energy_range

Referenced by dockjob(), mpiParser(), and serialize().

double JobInputData::granularity

Referenced by geometry(), mpiParser(), and serialize().

double JobInputData::begin

Referenced by dockjob(), geometry(), and serialize().

double JobInputData::end

Referenced by dockjob(), geometry(), and serialize().

char JobInputData::ligBuffer[100]

Referenced by dockjob(), main(), and serialize().

char JobInputData::ligFile[100000]

Referenced by dockjob(), main(), and serialize().

char JobInputData::recBuffer[100]

Referenced by dockjob(), main(), and serialize().

char JobInputData::fleBuffer[100]

Referenced by dockjob(), main(), and serialize().

bool JobInputData::useScoreCF

Referenced by main(), mpiParser(), and serialize().

double JobInputData::scoreCF

Referenced by main(), mpiParser(), and serialize().

std::string JobInputData::ligBuffer

std::string JobInputData::ligFile

std::string JobInputData::recBuffer

std::string JobInputData::fleBuffer

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

• dock.h
• dockBMPI.h