batchrelax_mpi.cc File Reference

#include <string>
#include <iostream>
#include <fstream>
#include <vector>
#include <unistd.h>
#include <boost/algorithm/string.hpp>
#include <utility/pointer/owning_ptr.hh>
#include <core/pose/Pose.hh>
#include <core/import_pose/import_pose.hh>
#include <core/scoring/ScoreFunctionFactory.hh>
#include <core/scoring/ScoreFunction.hh>
#include <basic/Tracer.hh>
#include <core/chemical/ChemicalManager.hh>
#include <devel/init.hh>
#include <protocols/relax/FastRelax.hh>
#include <utility/exit.hh>
#include <utility/excn/Exceptions.hh>
#include <utility/string_util.hh>
#include <core/io/silent/SilentStruct.fwd.hh>
#include <core/io/silent/SilentFileData.hh>
#include <core/io/silent/silent.fwd.hh>
#include <core/io/silent/SilentStructFactory.hh>
#include <core/io/silent/SilentStruct.hh>
#include <protocols/evaluation/EvaluatorFactory.hh>
#include <protocols/evaluation/PoseEvaluator.hh>
#include <basic/options/option.hh>
#include <basic/options/option_macros.hh>
#include <basic/options/keys/in.OptionKeys.gen.hh>
#include <basic/options/keys/out.OptionKeys.gen.hh>
#include <basic/options/keys/relax.OptionKeys.gen.hh>
#include <basic/options/keys/batch_relax.OptionKeys.gen.hh>

Macros
#define	TAG_BATCH_ASSIGN   0
#define	TAG_WRITE_REQUEST   1
#define	TAG_WRITE_APPROVE   2
#define	TAG_WRITE_SUCCESS   3
#define	TAG_EXIT_ACK   4
#define	TAG_SLAVE_ERROR   5
#define	BATCH_STRING_SIZE   2000
#define	SSTR(x)

Functions
void	wait_for_gdb ()
string	split_string (string str, int index)
bool	isUnique (utility::vector1< string > &str)
int	main (int argc, char *argv[])

Variables
static basic::Tracer	TR ("main")

Macro Definition Documentation

BATCH_STRING_SIZE

#define BATCH_STRING_SIZE   2000

SSTR

#define SSTR

(

x

)

Value:

        dynamic_cast< std::ostringstream & >( \
        ( std::ostringstream() << std::dec << x ) ).str()

TAG_BATCH_ASSIGN

#define TAG_BATCH_ASSIGN   0

TAG_EXIT_ACK

#define TAG_EXIT_ACK   4

TAG_SLAVE_ERROR

#define TAG_SLAVE_ERROR   5

TAG_WRITE_APPROVE

#define TAG_WRITE_APPROVE   2

TAG_WRITE_REQUEST

#define TAG_WRITE_REQUEST   1

TAG_WRITE_SUCCESS

#define TAG_WRITE_SUCCESS   3

Function Documentation

isUnique()

bool isUnique

(

utility::vector1< string > &

str

)

References str().

Referenced by main().

main()

int main	(	int	argc,
		char *	argv[]
	)

References argv, basic::options::OptionKeys::batch_relax::batch_size, BATCH_STRING_SIZE, basic::options::OptionKeys::run::batches, utility::options::IntegerOptionKey::clone(), test.T009_Exceptions::e, end, utility::file_basename(), in::file::fullatom(), getline(), create_a3b_hbs::i, create_a3b_hbs::ii, basic::init(), isUnique(), subloop_histogram::iterator, create_a3b_hbs::j, demo.D060_Folding::jobs, line, docking::native_pose, NEW_OPT, local::nstruct, option, pyrosetta.distributed.io::pose_from_file, create_a3b_hbs::prefix, basic::options::OptionKeys::legacy_sewing::rank, basic::options::OptionKeys::abinitio::relax, oop_conformations::scorefxn, basic::options::OptionKeys::cyclic_peptide::sequence_file, sfd, basic::options::OptionKeys::in::file::silent, split_string(), SSTR, basic::options::OptionKeys::cutoutdomain::start, basic::options::OptionKeys::out::suffix, TAG_BATCH_ASSIGN, TAG_EXIT_ACK, TAG_SLAVE_ERROR, TAG_WRITE_APPROVE, TAG_WRITE_REQUEST, TAG_WRITE_SUCCESS, extract_by_sidechain_sasa_score::tags, TR, basic::options::OptionKeys::inout::dbms::user, and utility_exit_with_message.

split_string()

string split_string	(	string	str,
		int	index
	)

References ObjexxFCL::index(), ObjexxFCL::is_any_of(), binder::split(), and str().

Referenced by numeric::comma_seperated_string_to_xyz(), and main().

wait_for_gdb()

void wait_for_gdb

(

)

References create_a3b_hbs::i, printf(), and build::stdout.

Variable Documentation

TR

basic::Tracer TR("main") ( "main"  )

static

Referenced by main().