ScoreFragmentSetMover Class Reference

Public Member Functions
	ScoreFragmentSetMover ()
void	run ()
core::Real	overlap_score (CAtrace &pose1, CAtrace &pose2, core::Size offset, protocols::electron_density::DensitySymmInfo const &symminfo)
core::Real	clash_score (CAtrace &pose1, CAtrace &pose2, core::Size offset, protocols::electron_density::DensitySymmInfo const &symminfo)
core::Real	closability_score (CAtrace &pose1, CAtrace &pose2, core::Size offset, protocols::electron_density::DensitySymmInfo const &symminfo)
virtual std::string	get_name () const

Private Attributes
core::Real	steepness_
core::Real	clash_dist_
core::Real	overlap_width_
core::Real	unclosable_penalty_
utility::vector1< core::Real >	gap_lengths_
utility::vector1< core::Real >	gap_weights_

Constructor & Destructor Documentation

ScoreFragmentSetMover::ScoreFragmentSetMover

(

)

References clash_dist_, gap_lengths_, gap_weights_, overlap_width_, steepness_, and unclosable_penalty_.

Member Function Documentation

core::Real ScoreFragmentSetMover::clash_score	(	CAtrace &	pose1,
		CAtrace &	pose2,
		core::Size	offset,
		protocols::electron_density::DensitySymmInfo const &	symminfo
	)

References CAtrace::cas_, clash_dist_, test.T150_PyMOL_Integration::i, and basic::options::OptionKeys::frags::j.

Referenced by run(), and SolutionRescoreMover::run().

core::Real ScoreFragmentSetMover::closability_score	(	CAtrace &	pose1,
		CAtrace &	pose2,
		core::Size	offset,
		protocols::electron_density::DensitySymmInfo const &	symminfo
	)

References CAtrace::cas_, gap_lengths_, gap_weights_, runtime_assert, and unclosable_penalty_.

Referenced by run(), and SolutionRescoreMover::run().

virtual std::string ScoreFragmentSetMover::get_name ( ) const

inlinevirtual

core::Real ScoreFragmentSetMover::overlap_score	(	CAtrace &	pose1,
		CAtrace &	pose2,
		core::Size	offset,
		protocols::electron_density::DensitySymmInfo const &	symminfo
	)

References CAtrace::cas_, clash_dist_, test.T150_PyMOL_Integration::i, test.T200_Scoring::ii, basic::options::OptionKeys::frags::j, basic::options::OptionKeys::rna::denovo::offset, overlap_width_, basic::options::OptionKeys::mh::filter::seqsep, and steepness_.

Referenced by run(), and SolutionRescoreMover::run().

void ScoreFragmentSetMover::run

(

)

References ObjexxFCL::abs(), clash_score(), closability_score(), basic::Tracer::Debug, test.T009_Exceptions::e, basic::options::OptionKeys::cutoutdomain::end, clean_pdb_keep_ligand::nres, basic::options::OptionKeys::rna::denovo::offset, basic::options::option, option, erraser_single_res_analysis::out, overlap_score(), loops_kic::rms, runtime_assert, basic::options::OptionKeys::out::file::scorefile, in::file::silent(), amino_acids::size, utility::string_split(), tag, TR, DRRAFTER::type, and basic::options::OptionKeys::inout::dbms::user.

Referenced by main().

Member Data Documentation

core::Real ScoreFragmentSetMover::clash_dist_

private

Referenced by clash_score(), overlap_score(), and ScoreFragmentSetMover().

utility::vector1< core::Real > ScoreFragmentSetMover::gap_lengths_

private

Referenced by closability_score(), and ScoreFragmentSetMover().

utility::vector1< core::Real > ScoreFragmentSetMover::gap_weights_

private

Referenced by closability_score(), and ScoreFragmentSetMover().

core::Real ScoreFragmentSetMover::overlap_width_

private

Referenced by overlap_score(), and ScoreFragmentSetMover().

core::Real ScoreFragmentSetMover::steepness_

private

Referenced by overlap_score(), and ScoreFragmentSetMover().

core::Real ScoreFragmentSetMover::unclosable_penalty_

private

Referenced by closability_score(), and ScoreFragmentSetMover().

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The documentation for this class was generated from the following file:

• src/apps/public/electron_density/denovo_density.cc