dockBMPI.cpp File Reference

#include <iostream>
#include <fstream>
#include <string>
#include <sstream>
#include <exception>
#include <stack>
#include <vector>
#include <cmath>
#include <boost/program_options.hpp>
#include <boost/filesystem/fstream.hpp>
#include <boost/filesystem/exception.hpp>
#include <boost/filesystem/convenience.hpp>
#include <boost/thread/thread.hpp>
#include "parse_pdbqt.h"
#include "parallel_mc.h"
#include "file.h"
#include "cache.h"
#include "non_cache.h"
#include "naive_non_cache.h"
#include "parse_error.h"
#include "everything.h"
#include "weighted_terms.h"
#include "current_weights.h"
#include "quasi_newton.h"
#include "gzstream.h"
#include "coords.h"
#include "tokenize.h"
#include "dockBMPI.h"
#include "mainProcedure.h"

Include dependency graph for dockBMPI.cpp:

Functions
int	dockjob (JobInputData &jobInput, JobOutData &jobOut)

Function Documentation

int dockjob	(	JobInputData &	jobInput,
		JobOutData &	jobOut
	)

References JobInputData::begin, JobInputData::cpu, doing(), done(), JobInputData::end, JobInputData::energy_range, JobInputData::exhaustiveness, parse_error::file, internal_error::file, JobInputData::fleBuffer, JobInputData::flexible, file_error::in, JobInputData::ligBuffer, JobInputData::ligFile, parse_error::line, internal_error::line, JobOutData::log, main_procedure(), JobInputData::n, file_error::name, JobInputData::num_modes, parse_bundle(), JobOutData::poses, parse_error::reason, JobInputData::recBuffer, JobInputData::seed, and VINA_FOR_IN.

Here is the call graph for this function: