scores a fragment by its crmsd to the given reference structure More...

Inheritance diagram for protocols::frag_picker::scores::GunnCostScore:

Collaboration diagram for protocols::frag_picker::scores::GunnCostScore:

Public Member Functions
	GunnCostScore (Size, Real, bool, core::pose::PoseOP, utility::vector1< Size >, Size)
	creates a crmsd-based scoring function. More...

	~GunnCostScore ()

void	do_caching (VallChunkOP)

void	clean_up ()

bool	score (FragmentCandidateOP, FragmentScoreMapOP)

bool	cached_score (FragmentCandidateOP, FragmentScoreMapOP)

void	computeGunnTuples (core::pose::Pose &, Size, utility::vector1< GunnTuple > &)

Public Member Functions inherited from protocols::frag_picker::scores::CachingScoringMethod
	CachingScoringMethod (Size priority, Real lowest_acceptable_value, bool use_lowest, std::string name)

Public Member Functions inherited from protocols::frag_picker::scores::FragmentScoringMethod
	FragmentScoringMethod (Size priority, Real lowest_acceptable_value, bool use_lowest, std::string name)

std::string &	get_score_name ()
	Returns a name of this scoring method. More...

Size	get_id ()
	Returns an integer index assigned to this scoring method by a scoring manager. More...

void	set_id (Size id)
	Sets a new integer index for this scoring method. More...

Size	get_priority ()
	Returns a priority of this scoring method. More...

Real	get_min_allowed_score ()
	Returns the lowest acceptable score value for this scoring method. More...

bool	get_use_lowest ()
	Returns the boolean choice on using the above lowest acceptable score value. More...

void	set_min_allowed_score (Real lowest_acceptable_value)
	Sets a new value of the lowest acceptable score. More...

Private Attributes
Size	n_atoms_

pose::PoseOP	reference_pose_

utility::vector1< Size >	frag_sizes_

Size	max_chunk_size_

utility::vector1 < utility::vector1< GunnTuple > >	ref_gunn_data_

utility::vector1 < utility::vector1< GunnTuple > >	chunk_gunn_data_

GunnCost	gunn_cost_

Additional Inherited Members
Protected Attributes inherited from protocols::frag_picker::scores::FragmentScoringMethod
Size	id_

Size	priority_

std::string	name_

Real	lowest_acceptable_value_

bool	use_lowest_

Detailed Description

scores a fragment by its crmsd to the given reference structure

Definition at line 40 of file GunnCostScore.hh.

Constructor & Destructor Documentation

protocols::frag_picker::scores::GunnCostScore::GunnCostScore	(	Size	priority,
		Real	lowest_acceptable_value,
		bool	use_lowest,
		core::pose::PoseOP	reference_pose,
		utility::vector1< Size >	frag_sizes,
		Size	max_chunk_size
	)

creates a crmsd-based scoring function.

Detailed: fragments will be compared to a given pose, which should have the same number of residues a the query sequence

Definition at line 46 of file GunnCostScore.cc.

protocols::frag_picker::scores::GunnCostScore::~GunnCostScore ( )

Definition at line 44 of file GunnCostScore.cc.

bool protocols::frag_picker::scores::GunnCostScore::cached_score	(	FragmentCandidateOP	fragment,
		FragmentScoreMapOP	scores
	)

virtual

Definition at line 111 of file GunnCostScore.cc.

void protocols::frag_picker::scores::GunnCostScore::clean_up ( )

virtual

Definition at line 156 of file GunnCostScore.cc.

void protocols::frag_picker::scores::GunnCostScore::computeGunnTuples	(	core::pose::Pose &	pose,
		Size	frag_size,
		utility::vector1< GunnTuple > &	result
	)