recces_turner.cc File Reference

#include <core/init/init.hh>
#include <core/pose/Pose.hh>
#include <core/pose/util.hh>
#include <core/pose/annotated_sequence.hh>
#include <core/scoring/ScoreFunctionFactory.hh>
#include <core/scoring/ScoreFunction.hh>
#include <core/scoring/ScoreType.hh>
#include <protocols/viewer/viewers.hh>
#include <protocols/moves/SimulatedTempering.hh>
#include <protocols/stepwise/modeler/rna/helix/RNA_HelixAssembler.hh>
#include <protocols/stepwise/sampler/rna/RNA_MC_Suite.hh>
#include <protocols/stepwise/sampler/rna/RNA_MC_MultiSuite.hh>
#include <utility/io/ozstream.hh>
#include <string>
#include <basic/options/option.hh>
#include <basic/options/option_macros.hh>
#include <basic/options/keys/out.OptionKeys.gen.hh>
#include <basic/options/keys/score.OptionKeys.gen.hh>
#include <basic/options/keys/in.OptionKeys.gen.hh>
#include <utility/excn/Exceptions.hh>

Classes
class	Histogram

Functions
utility::vector1 < scoring::ScoreType > const &	get_scoretypes ()
void	update_scores (utility::vector1< float > &scores, Pose &pose, scoring::ScoreFunctionOP const scorefxn)
void	fill_data (utility::vector1< float > &data, Size const count, utility::vector1< float > &scores)
Real	gaussian_stdev (Real const n_rsd, Real const temp, bool const is_bp)
template<typename T >
void	vector2disk_in1d (std::string const &out_filename, utility::vector1< T > const &out_vector)
template<typename T >
void	vector2disk_in2d (std::string const &out_filename, Size const dim1, Size const dim2, utility::vector1< T > const &out_vector)
void	set_gaussian_stdev (sampler::rna::RNA_MC_MultiSuite &sampler, moves::SimulatedTempering const &tempering, utility::vector1< Size > const &bp_rsd, utility::vector1< Size > const &dangling_rsd)
PoseOP	pose_setup (std::string const &seq1, std::string const &seq2, Size const len1)
Size	data_dim ()
void	MC_run ()
void *	my_main (void *)
int	main (int argc, char *argv[])

Function Documentation

Size data_dim

(

)

References get_scoretypes(), test.T200_Scoring::score_types, and basic::options::OptionKeys::frags::scoring::scoring.

Referenced by MC_run().

void fill_data	(	utility::vector1< float > &	data,
		Size const	count,
		utility::vector1< float > &	scores
	)

References basic::options::OptionKeys::frags::scoring::scoring.

Referenced by MC_run().

Real gaussian_stdev	(	Real const	n_rsd,
		Real const	temp,
		bool const	is_bp
	)

References ObjexxFCL::pow().

Referenced by set_gaussian_stdev().

utility::vector1<scoring::ScoreType> const& get_scoretypes

(

)

References basic::options::OptionKeys::frags::scoring::scoring.

Referenced by data_dim(), and update_scores().

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

References utility::io::oc::cout, basic::options::OptionKeys::matdes::dock::dump_pdb, basic::init(), utility::excn::EXCN_Base::msg(), my_main(), and NEW_OPT.

void MC_run

(

)

References utility::io::oc::cout, pyrosetta::create_score_function, app.delta_score_per_mutation::data, data_dim(), basic::options::OptionKeys::matdes::dock::dump_pdb, fill_data(), basic::options::OptionKeys::optE::fixed, pyrosetta::get_score_function, max(), min(), basic::options::OptionKeys::score::saxs::min_score, option, app.surface_docking.surface_docking::pose, pose_setup(), basic::options::OptionKeys::full_model::rna::rna, runtime_assert, PyMOL_demo::scorefxn, basic::options::OptionKeys::mh::path::scores, basic::options::OptionKeys::frags::scoring::scoring, set_gaussian_stdev(), amino_acids::size, basic::options::OptionKeys::mp::visualize::spacing, app.surface_docking.surface_docking::time_start, update_scores(), basic::options::OptionKeys::inout::dbms::user, vector2disk_in1d(), vector2disk_in2d(), and score::weights().

Referenced by my_main().

void* my_main

(

void *

)

References utility::options::OptionKeys::options::exit, and MC_run().

Referenced by main().

PoseOP pose_setup	(	std::string const &	seq1,
		std::string const &	seq2,
		Size const	len1
	)

References app.surface_docking.surface_docking::pose.

Referenced by MC_run().

void set_gaussian_stdev	(	sampler::rna::RNA_MC_MultiSuite &	sampler,
		moves::SimulatedTempering const &	tempering,
		utility::vector1< Size > const &	bp_rsd,
		utility::vector1< Size > const &	dangling_rsd
	)

References gaussian_stdev().

Referenced by MC_run().

void update_scores	(	utility::vector1< float > &	scores,
		Pose &	pose,
		scoring::ScoreFunctionOP const	scorefxn
	)

References get_scoretypes(), test.T200_Scoring::score_types, and basic::options::OptionKeys::frags::scoring::scoring.

Referenced by MC_run().

template<typename T >

void vector2disk_in1d	(	std::string const &	out_filename,
		utility::vector1< T > const &	out_vector
	)

References basic::options::OptionKeys::canonical_sampling::out::out, and test.T007_TracerIO::T.

Referenced by MC_run().

template<typename T >

void vector2disk_in2d	(	std::string const &	out_filename,
		Size const	dim1,
		Size const	dim2,
		utility::vector1< T > const &	out_vector
	)

References basic::options::OptionKeys::canonical_sampling::out::out, runtime_assert, and test.T007_TracerIO::T.

Referenced by MC_run().