testNM.cc File Reference

#include <basic/options/option.hh>
#include <basic/options/option_macros.hh>
#include <basic/options/keys/in.OptionKeys.gen.hh>
#include <basic/options/keys/score.OptionKeys.gen.hh>
#include <basic/options/keys/relax.OptionKeys.gen.hh>
#include <core/id/AtomID.hh>
#include <core/pose/Pose.hh>
#include <core/import_pose/import_pose.hh>
#include <core/conformation/Residue.hh>
#include <core/chemical/ChemicalManager.hh>
#include <core/chemical/ResidueTypeSet.hh>
#include <core/chemical/ResidueTypeSet.fwd.hh>
#include <core/optimization/MinimizerOptions.hh>
#include <core/optimization/AtomTreeMinimizer.hh>
#include <core/scoring/ScoreFunction.hh>
#include <core/scoring/ScoreType.hh>
#include <core/scoring/ScoreFunctionFactory.hh>
#include <protocols/normalmode/NormalMode.hh>
#include <protocols/normalmode/NormalModeRelaxMover.hh>
#include <protocols/normalmode/NormalModeMinimizer.hh>
#include <protocols/simple_moves/SwitchResidueTypeSetMover.hh>
#include <protocols/electron_density/SetupForDensityScoringMover.hh>
#include <protocols/relax/FastRelax.hh>
#include <protocols/relax/util.hh>
#include <core/types.hh>
#include <devel/init.hh>
#include <sys/time.h>

Functions
void	test_NM (pose::Pose pose)
void	test_NMrelaxer (pose::Pose pose)
void	test_NMmin (pose::Pose pose)
int	main (int argc, char *argv[])

Function Documentation

main()

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

References argv, basic::init(), NEW_OPT, option, beta_nonlocal::pose, pyrosetta.distributed.io::pose_from_file, in::file::s(), and test_NMrelaxer().

test_NM()

void test_NM

(

pose::Pose

pose

)

References ObjexxFCL::abs(), utility::io::oc::cout, and beta_nonlocal::pose.

test_NMmin()

void test_NMmin

(

pose::Pose

pose

)

References utility::io::oc::cout, pyrosetta::create_score_function, beta_nonlocal::mm, option, options, beta_nonlocal::pose, test.T120_core::sfxn, and score::weights().

test_NMrelaxer()

void test_NMrelaxer

(

pose::Pose

pose

)

References utility::io::oc::cout, pyrosetta::create_score_function, create_a3b_hbs::i, beta_nonlocal::mm, create_a3b_hbs::nres, option, predPRE::pdbname, beta_nonlocal::pose, test.T120_core::sfxn, basic::options::OptionKeys::inout::dbms::user, and score::weights().

Referenced by main().