plot_scoreterm.cc File Reference

Plot a given score term as a function to two degrees of freedom for an arbitrary residue type. More...

#include <devel/init.hh>
#include <core/pose/Pose.hh>
#include <core/pose/annotated_sequence.hh>
#include <core/chemical/ResidueType.hh>
#include <core/scoring/ScoreFunction.hh>
#include <core/scoring/ScoreTypeManager.hh>
#include <utility/excn/Exceptions.hh>
#include <basic/Tracer.hh>
#include <basic/options/option.hh>
#include <basic/options/keys/OptionKeys.hh>
#include <basic/options/option_macros.hh>
#include <sstream>

Enumerations
enum	ALLOWED_DOFS {   PHI =1 , PSI , THETA , MU ,   OMEGA , OMEGA_MINUSONE , CHI1 , CHI2 ,   CHI3 , CHI4 }

Functions
void	register_options ()
ALLOWED_DOFS	determine_allowed_dofs (int dofno)
void	initialize_pose ()
void	set_dof (core::pose::Pose &pose, ALLOWED_DOFS const dof, core::Real const &setting)
void	plot_scoreterm ()
void	initialize_pose (core::pose::Pose &pose)
int	main (int argc, char *argv[])

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

Detailed Description

Plot a given score term as a function to two degrees of freedom for an arbitrary residue type.

Author

Vikram K. Mulligan (vmull.nosp@m.ig@u.nosp@m..wash.nosp@m.ingt.nosp@m.on.ed.nosp@m.u)

Enumeration Type Documentation

ALLOWED_DOFS

enum ALLOWED_DOFS

Enumerator
PHI
PSI
THETA
MU
OMEGA
OMEGA_MINUSONE
CHI1
CHI2
CHI3
CHI4

Function Documentation

determine_allowed_dofs()

ALLOWED_DOFS determine_allowed_dofs

(

int

dofno

)

References CHI1, CHI2, CHI3, CHI4, MU, OMEGA, OMEGA_MINUSONE, basic::options::option, PHI, PSI, runtime_assert, THETA, numeric::interpolation::to_string(), and utility_exit_with_message.

Referenced by plot_scoreterm().

initialize_pose() [1/2]

void initialize_pose

(

)

Referenced by ChallengeMover::apply(), and plot_scoreterm().

initialize_pose() [2/2]

void initialize_pose

(

core::pose::Pose &

pose

)

References basic::options::OptionKeys::AnchoredDesign::filters::omega, basic::options::option, oop_conformations::phi, beta_nonlocal::pose, and oop_conformations::psi.

main()

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

References argv, test.T009_Exceptions::e, basic::init(), NEW_OPT, basic::options::OptionKeys::AnchoredDesign::filters::omega, oop_conformations::phi, plot_scoreterm(), oop_conformations::psi, and register_options().

plot_scoreterm()

void plot_scoreterm

(

)

References determine_allowed_dofs(), create_a3b_hbs::i, initialize_pose(), create_a3b_hbs::j, basic::options::option, beta_nonlocal::pose, basic::options::OptionKeys::blivens::score_type, set_dof(), test.T120_core::sfxn, and basic::options::TR.

Referenced by main().

register_options()

void register_options

(

)

Referenced by main().

set_dof()

void set_dof	(	core::pose::Pose &	pose,
		ALLOWED_DOFS const	dof,
		core::Real const &	setting
	)

References CHI1, CHI2, CHI3, CHI4, MU, OMEGA, OMEGA_MINUSONE, PHI, beta_nonlocal::pose, PSI, and THETA.

Referenced by plot_scoreterm().

Variable Documentation

TR

basic::Tracer TR("plot_scoreterm") ( "plot_scoreterm"  )

static