Rosetta: MatchLig Struct Reference

Rosetta

Inheritance diagram for MatchLig:

Inheritance graph

[legend]

Public Member Functions
	MatchLig (Pose &ipose, Size irsd1, Size irsd2, string iaa1, string iaa2, string itag, MatchAlignerOP mop)

bool	isbad ()

	MatchLig (Pose &ipose, Size irsd1, Size irsd2, string iaa1, string iaa2, string itag, MatchAlignerOP mop)

bool	isbad ()

Public Member Functions inherited from utility::VirtualBase
	VirtualBase ()=default
	Default constructor. More...

virtual	~VirtualBase ()=default
	The virtual destructor is one of the main reasons for the VirtualBase class. More...

	VirtualBase (VirtualBase const &)=default

	VirtualBase (VirtualBase &&)=default

VirtualBase &	operator= (VirtualBase const &)=default

VirtualBase &	operator= (VirtualBase &&)=default

Public Attributes
Pose	pose

Size	rsd1

Size	rsd2

string	aa1

string	aa2

string	tag

MatchAlignInfo	align_info

Constructor & Destructor Documentation

◆ MatchLig() [1/2]

MatchLig::MatchLig	(	Pose &	ipose,
		Size	irsd1,
		Size	irsd2,
		string	iaa1,
		string	iaa2,
		string	itag,
		MatchAlignerOP	mop
	)

inline

References basic::options::OptionKeys::mh::match::aa1, basic::options::OptionKeys::mh::match::aa2, create_a3b_hbs::i, beta_nonlocal::pose, basic::options::OptionKeys::motifs::r1, basic::options::OptionKeys::motifs::r2, test.T200_Scoring::rsd1, and test.T200_Scoring::rsd2.

◆ MatchLig() [2/2]

MatchLig::MatchLig	(	Pose &	ipose,
		Size	irsd1,
		Size	irsd2,
		string	iaa1,
		string	iaa2,
		string	itag,
		MatchAlignerOP	mop
	)

inline

References basic::options::OptionKeys::mh::match::aa1, basic::options::OptionKeys::mh::match::aa2, create_a3b_hbs::i, beta_nonlocal::pose, basic::options::OptionKeys::motifs::r1, basic::options::OptionKeys::motifs::r2, test.T200_Scoring::rsd1, and test.T200_Scoring::rsd2.

Member Function Documentation

◆ isbad() [1/2]

bool MatchLig::isbad ( )

inline

References MatchAlignInfo::axis, and numeric::xyzVector< T >::length().

Referenced by MatchSet::init().

◆ isbad() [2/2]

bool MatchLig::isbad ( )

inline

References MatchAlignInfo::axis, and numeric::xyzVector< T >::length().

Member Data Documentation

◆ aa1

string MatchLig::aa1

◆ aa2

string MatchLig::aa2

◆ align_info

MatchAlignInfo MatchLig::align_info

Referenced by MatchSet::init().

◆ pose

Pose MatchLig::pose

Referenced by pyrosetta.bindings.pose.PoseScoreAccessor::__delitem__(), pyrosetta.bindings.scores.core.PoseCacheAccessor::__delitem__(), pyrosetta.bindings.scores.extra_scores.ExtraScoresAccessorBase::__delitem__(), pyrosetta.bindings.scores.simple_metrics.SimpleMetricDataAccessorBase::__delitem__(), pyrosetta.bindings.scores.simple_metrics.SimpleMetricStringDataAccessor::__delitem__(), pyrosetta.bindings.scores.simple_metrics.SimpleMetricRealDataAccessor::__delitem__(), pyrosetta.bindings.pose.PoseResidueAccessor::__getitem__(), pyrosetta.bindings.pose.PoseResidueLabelAccessor::__getitem__(), pyrosetta.bindings.pose.PoseResidueAccessor::__iadd__(), pyrosetta.bindings.pose.PoseResidueAccessor::__imul__(), pyrosetta.bindings.pose.PoseResidueAccessor::__iter__(), pyrosetta.bindings.pose.PoseResidueAccessor::__len__(), pyrosetta.bindings.pose.PoseResidueLabelAccessor::__len__(), pyrosetta.bindings.pose.PoseResidueLabelAccessor::__repr__(), pyrosetta.bindings.pose.PoseResidueAccessor::__reversed__(), pyrosetta.bindings.pose.PoseScoreAccessor::__setitem__(), pyrosetta.bindings.scores.extra_scores.ExtraScoresAccessorBase::__setitem__(), pyrosetta.bindings.scores.base.PoseCacheAccessorBase::_get_sm_data_dict(), pyrosetta.bindings.scores.base.PoseCacheAccessorBase::_has_reserved_custom_metric_keys(), pyrosetta.bindings.scores.base.PoseCacheAccessorBase::_maybe_delete_keys_from_sm_data(), pyrosetta.bindings.scores.base.PoseCacheAccessorBase::_maybe_delete_reserved_keys_from_sm_data(), pyrosetta.bindings.pose.PoseScoreAccessor::all(), pyrosetta.bindings.scores.energies.EnergiesAccessor::all(), pyrosetta.bindings.scores.extra_scores.ExtraFloatScoresDataAccessor::all(), pyrosetta.bindings.scores.extra_scores.ExtraStringScoresDataAccessor::all(), pyrosetta.bindings.scores.simple_metrics.SimpleMetricStringDataAccessor::all(), pyrosetta.bindings.scores.simple_metrics.SimpleMetricRealDataAccessor::all(), pyrosetta.bindings.scores.simple_metrics.SimpleMetricCompositeStringDataAccessor::all(), pyrosetta.bindings.scores.simple_metrics.SimpleMetricCompositeRealDataAccessor::all(), pyrosetta.bindings.scores.simple_metrics.SimpleMetricPerResidueStringDataAccessor::all(), pyrosetta.bindings.scores.simple_metrics.SimpleMetricPerResidueRealDataAccessor::all(), pyrosetta.bindings.scores.simple_metrics.SimpleMetricPerResidueProbabilitiesDataAccessor::all(), pyrosetta.bindings.scores.base.PoseCacheAccessorBase::apply(), pyrosetta.bindings.pose.PoseScoreAccessor::clear(), pyrosetta.bindings.scores.core.PoseCacheAccessor::clear(), pyrosetta.bindings.scores.energies.EnergiesAccessor::clear(), pyrosetta.bindings.scores.extra_scores.ExtraScoresAccessorBase::clear(), pyrosetta.bindings.scores.extra_scores.ExtraScoresAccessor::clear(), pyrosetta.bindings.scores.simple_metrics.SimpleMetricDataAccessor::clear(), pyrosetta.distributed.packed_pose.core.PackedPose::clone(), pyrosetta.bindings.scores.simple_metrics.SimpleMetricDataAccessor::composite_real(), pyrosetta.bindings.scores.simple_metrics.SimpleMetricDataAccessor::composite_string(), pyrosetta.distributed.packed_pose.core.PackedPose::empty(), pyrosetta.bindings.pose.PoseScoreAccessor::energies(), pyrosetta.bindings.scores.core.PoseCacheAccessor::energies(), pyrosetta.bindings.pose.PoseScoreAccessor::extra(), pyrosetta.bindings.scores.core.PoseCacheAccessor::extra(), pyrosetta.bindings.scores.core.PoseCacheAccessor::metrics(), pyrosetta.bindings.scores.simple_metrics.SimpleMetricDataAccessor::per_residue_probabilities(), pyrosetta.bindings.scores.simple_metrics.SimpleMetricDataAccessor::per_residue_real(), pyrosetta.bindings.scores.simple_metrics.SimpleMetricDataAccessor::per_residue_string(), pyrosetta.bindings.scores.extra_scores.ExtraScoresAccessor::real(), pyrosetta.bindings.scores.simple_metrics.SimpleMetricDataAccessor::real(), pyrosetta.bindings.scores.extra_scores.ExtraScoresAccessor::string(), pyrosetta.bindings.scores.simple_metrics.SimpleMetricDataAccessor::string(), test.T300_PyJobDistributor.TestPyJobDistributor::test_jd(), test.T300_PyJobDistributor.TestPyJobDistributor::test_jd_at(), test.T300_PyJobDistributor.TestPyJobDistributor::test_jd_serializable_scores(), test.T300_PyJobDistributor.TestPyJobDistributor::test_jd_unserializable_scores(), test.T010_LoadPDB.LoadPDBTest::test_pdbstring_io(), pyrosetta.tests.bindings.core.test_pose.TestPoseCacheAccessor::test_pose_cache(), test.T010_LoadPDB.LoadPDBTest::test_roundtrip_file(), test.T010_LoadPDB.LoadPDBTest::test_roundtrip_pdb(), test.T010_LoadPDB.LoadPDBTest::test_roundtrip_scored_pdb(), and pyrosetta.distributed.packed_pose.core.PackedPose::update_scores().

◆ rsd1

Size MatchLig::rsd1

◆ rsd2

Size MatchLig::rsd2

◆ tag

string MatchLig::tag

Referenced by pyrosetta.distributed.tasks.rosetta_scripts.BaseRosettaScriptsTask::parsed_protocol().

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

src/apps/pilot/will/old/crossmatch.cc
src/apps/pilot/will/old/crossmatch_d2.cc