#include <devel/init.hh>
#include <protocols/membrane/MembraneUnitTestMover.hh>
#include <core/membrane/properties/SpanningTopology.hh>
#include <core/membrane/util/definitions.hh>
#include <core/membrane/util/Exceptions.hh>
#include <core/membrane/MembraneConformation.hh>
#include <core/conformation/Conformation.hh>
#include <core/kinematics/FoldTree.hh>
#include <protocols/simple_moves/SwitchResidueTypeSetMover.hh>
#include <core/chemical/ResidueTypeSet.hh>
#include <core/chemical/ChemicalManager.hh>
#include <core/pose/Pose.hh>
#include <core/types.hh>
#include <core/scoring/Energies.hh>
#include <core/scoring/ScoreFunction.hh>
#include <core/scoring/ScoreType.hh>
#include <core/scoring/ScoreFunctionFactory.hh>
#include <basic/Tracer.hh>
#include <basic/options/option.hh>
#include <basic/options/keys/in.OptionKeys.gen.hh>
#include <basic/options/keys/jd2.OptionKeys.gen.hh>
#include <basic/options/keys/membrane.OptionKeys.gen.hh>
#include <utility/VirtualBase.hh>
#include <cstdlib>
#include <string>
#include <cmath>

Functions
core::Size	get_ddG (core::pose::Pose &mp_pose, core::pose::Pose &non_mp_pose, core::scoring::ScoreType type)
	Testing Utility Functions /////////////. More...

void	test_membrane_chain (core::pose::Pose &pose)
	Test Contents of the Membrane Chain. More...

void	test_membrane_conformation (core::pose::Pose &pose)
	Test the Contents of the Membrane Conformation. More...

void	test_membrane_fold_tree (core::pose::Pose &pose)
	Test Membrane Fold Tree Topology. More...

void	test_membrane_scoring_lowres (core::pose::Pose &membrane_pose, core::pose::Pose &non_membrane_pose)
	Test Consistent Low Resolution MP Scoring. More...

void	test_membrane_scoring_highres (core::pose::Pose &membrane_pose, core::pose::Pose &non_membrane_pose)
	Test Consistent High Resolution MP Scoring. More...

void	test_talaris (core::pose::Pose &membrane_pose, core::pose::Pose &non_membrane_pose)
	Test Consistent Talaris Pose Scoring. More...

int	main (int argc, char *argv[])
	dump final pdb More...

Variables
static basic::Tracer	TR ("apps.pilot.ralford.mpframework_integration")

Function Documentation

◆ get_ddG()

core::Size get_ddG	(	core::pose::Pose &	mp_pose,
		core::pose::Pose &	non_mp_pose,
		core::scoring::ScoreType	type
	)

Testing Utility Functions /////////////.

References test.Workshop4test::score2.

Referenced by test_membrane_scoring_highres(), test_membrane_scoring_lowres(), and test_talaris().

◆ main()

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

dump final pdb

Top Level Testing for Constructing Membrane Proteins

Runs applications with debug tracers contianing expected data. Will eventually call the new object oriented code

Main

References argv, test.T009_Exceptions::e, basic::init(), basic::options::OptionKeys::abinitio::membrane, test_membrane_chain(), test_membrane_conformation(), test_membrane_fold_tree(), test_talaris(), and TR.

◆ test_membrane_chain()

void test_membrane_chain ( core::pose::Pose & pose )

Test Contents of the Membrane Chain.

Check that the pose contains a membrane residue and an embedding data residue for every original polymer chain in the pose

References demo.D060_Folding::counter, create_a3b_hbs::i, beta_nonlocal::pose, TR, and utility_exit_with_message.

Referenced by main().

◆ test_membrane_conformation()

void test_membrane_conformation ( core::pose::Pose & pose )

Test the Contents of the Membrane Conformation.

Check that the position of the embedding residues is consistent with teh numebring rules as well as the residue numbering for the membrane residue. Check the contents of the embedding map is consistent with membrane data. Check number of chains of topology and total res matches up with the actual total residue.

References create_a3b_hbs::i, basic::options::OptionKeys::abinitio::membrane, create_a3b_hbs::nres, beta_nonlocal::pose, predPRE::resnum, TR, and utility_exit_with_message.

Referenced by main().