RotamerSetOperations are able to modify the contents of a RotamerSet within the packer immediately after rotamer creation. More...

#include <RotamerSetOperation.hh>

Inheritance diagram for core::pack::rotamer_set::RotamerOperation:

Public Member Functions
	RotamerOperation ()

	~RotamerOperation () override

virtual bool	operator() (conformation::ResidueOP rotamer, pose::Pose const &pose, scoring::ScoreFunction const &sfxn, pack::task::ResidueLevelTask const &rtask, utility::graph::GraphCOP packer_neighbor_graph, pack::dunbrack::ChiSetOP chi_set)=0

Detailed Description

RotamerSetOperations are able to modify the contents of a RotamerSet within the packer immediately after rotamer creation.

They are handed into the packer through a packer task; each ResidueLevelTask keeps its own list of rotamer set operations.

Each RotamerSet, within the build_rotamers() method will iterate across the RotamerSetOperation objects, and call alter_rotamer_set on each element in the ResidueLevelTask's list of rotamer_set_operations.

RotamerSetOperations are visited in the order in which they are appended to the ResidueLevelTasks's operation list.

RotamerSetOperations are unable to correlate changes to rotamer sets across multiple rotamer sets – they have access to only a single RotamerSet object in their alter_rotamer_set operations. For correlated alterations to rotamer sets, the RotamerSetsOperation class should be used.

Constructor & Destructor Documentation

core::pack::rotamer_set::RotamerOperation::RotamerOperation ( )

core::pack::rotamer_set::RotamerOperation::~RotamerOperation ( )

overridedefault

virtual bool core::pack::rotamer_set::RotamerOperation::operator()	(	conformation::ResidueOP	rotamer,
		pose::Pose const &	pose,
		scoring::ScoreFunction const &	sfxn,
		pack::task::ResidueLevelTask const &	rtask,
		utility::graph::GraphCOP	packer_neighbor_graph,
		pack::dunbrack::ChiSetOP	chi_set
	)

pure virtual

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