dumpstubinteractions.cc File Reference

#include <string>
#include <fstream>
#include <iostream>
#include <vector>
#include <devel/init.hh>
#include <utility/excn/Exceptions.hh>
#include <boost/algorithm/string.hpp>
#include <basic/options/option.hh>
#include <basic/options/util.hh>
#include <basic/options/keys/out.OptionKeys.gen.hh>
#include <basic/options/keys/hotspot.OptionKeys.gen.hh>
#include <basic/options/keys/run.OptionKeys.gen.hh>
#include <basic/options/keys/in.OptionKeys.gen.hh>
#include <basic/options/keys/packing.OptionKeys.gen.hh>
#include <basic/options/keys/score.OptionKeys.gen.hh>
#include <basic/options/keys/docking.OptionKeys.gen.hh>
#include <basic/Tracer.hh>
#include <core/import_pose/import_pose.hh>
#include <core/pose/Pose.hh>
#include <core/pose/PDBInfo.hh>
#include <core/pose/util.hh>
#include <utility/graph/graph.hh>
#include <core/scoring/ScoreFunction.hh>
#include <core/scoring/ScoreFunctionFactory.hh>
#include <core/scoring/ScoreType.hh>
#include <core/scoring/EnergyMap.hh>
#include <core/scoring/EnergyGraph.hh>
#include <core/scoring/Energies.hh>

Namespaces
	basic
	Tags used to tag messeges sent by MPI functions used to decide whether a slave is requesting a new job id or flagging as job as being a bad input.
	basic::options
	basic::options::OptionKeys

Functions
void	ReportStubIdentity (std::string stubname, core::Size stubindex)
void	ReportStubStubEnergy (core::Size stub_a, core::Size stub_b, core::Real energy)
void	ReportStubTargetEnergy (core::Size stub, core::Real energy)
int	main (int argc, char *argv[])

Variables
static basic::Tracer	tr ("apps.pilot.lsmgridprobe.cc")
basic::options::FileOptionKey const	basic::options::OptionKeys::stublist_filename ("stublist")
std::ofstream	stubIdentityFile
std::ofstream	stubstubEnergyFile
std::ofstream	stubtargetEnergyFile

Function Documentation

main()

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

References utility::options::OptionCollection::add(), argv, utility::graph::Node::const_edge_list_end(), test.T009_Exceptions::e, utility::file::FileName::ext(), lactamize::filename, utility::graph::Edge::get_node(), getline(), create_a3b_hbs::i, basic::options::OptionKeys::in::in, basic::init(), utility::file::FileName::name(), basic::options::option, pyrosetta.distributed.io::pose_from_file, ReportStubIdentity(), ReportStubStubEnergy(), ReportStubTargetEnergy(), oop_conformations::scorefxn, stubIdentityFile, basic::options::OptionKeys::stublist_filename, stubstubEnergyFile, stubtargetEnergyFile, basic::options::OptionKeys::hotspot::target, basic::options::OptionKeys::inout::dbms::user, and utility_exit_with_message.

ReportStubIdentity()

void ReportStubIdentity	(	std::string	stubname,
		core::Size	stubindex
	)

References stubIdentityFile.

Referenced by main().

ReportStubStubEnergy()

void ReportStubStubEnergy	(	core::Size	stub_a,
		core::Size	stub_b,
		core::Real	energy
	)

References oop_conformations::energy, and stubstubEnergyFile.

Referenced by main().

ReportStubTargetEnergy()

void ReportStubTargetEnergy	(	core::Size	stub,
		core::Real	energy
	)

References oop_conformations::energy, stub(), and stubtargetEnergyFile.

Referenced by main().

Variable Documentation

stubIdentityFile

std::ofstream stubIdentityFile

Referenced by main(), and ReportStubIdentity().

stubstubEnergyFile

std::ofstream stubstubEnergyFile

Referenced by main(), and ReportStubStubEnergy().

stubtargetEnergyFile

std::ofstream stubtargetEnergyFile

Referenced by main(), and ReportStubTargetEnergy().

tr

basic::Tracer tr("apps.pilot.lsmgridprobe.cc") ( "apps.pilot.lsmgridprobe.cc"  )

static