#include <RotamerSubsets.hh>

Inheritance diagram for core::pack::rotamer_set::RotamerSubsets:

[legend]

Public Types
typedef task::PackerTaskCOP	PackerTaskCOP

Public Types inherited from core::pack::rotamer_set::FixbbRotamerSets
typedef pack_basic::RotamerSetsBase	parent

typedef utility::vector1< RotamerSetOP >	RotamerSetVector

Public Member Functions
	RotamerSubsets (FixbbRotamerSets &source, utility::vector0< int > const &rotamer_subset)

	~RotamerSubsets () override

uint	nrotamers () const override

uint	nrotamers_for_moltenres (uint) const override

uint	total_residue () const override

uint	nmoltenres () const override

uint	moltenres_2_resid (uint) const override

uint	resid_2_moltenres (uint) const override

uint	moltenres_for_rotamer (uint) const override

uint	res_for_rotamer (uint) const override

core::conformation::ResidueCOP	rotamer (uint) const override

core::conformation::ResidueCOP	rotamer_for_moltenres (uint moltenres_id, uint rotamerid) const override

uint	nrotamer_offset_for_moltenres (uint) const override

RotamerSetCOP	rotamer_set_for_residue (uint resid) const override

RotamerSetOP	rotamer_set_for_residue (uint resid) override

RotamerSetCOP	rotamer_set_for_moltenresidue (uint moltenresid) const override

RotamerSetOP	rotamer_set_for_moltenresidue (uint moltenresid) override

RotamerSetVector::const_iterator	begin () override

RotamerSetVector::const_iterator	end () override

uint	rotid_on_moltenresidue (uint rotid) const override
	convert rotid in full rotamer enumeration into rotamer id on its source residue More...

uint	moltenres_rotid_2_rotid (uint moltenres, uint moltenresrotid) const override
	convert moltenres rotid to id in full rotamer enumeration More...

void	initialize_pose_for_rotsets_creation (pose::Pose &) const override
	Give the pose a chance to stash any data needed by the rotset need nonconst access to pose. More...

void	show (std::ostream &out) const override

Public Member Functions inherited from core::pack::rotamer_set::FixbbRotamerSets
	FixbbRotamerSets ()

	~FixbbRotamerSets () override

Public Member Functions inherited from core::pack_basic::RotamerSetsBase
	RotamerSetsBase ()

	~RotamerSetsBase () override

Protected Member Functions
utility::vector1< uint > const &	resid_2_moltenres_vector () const override

utility::vector1< uint > const &	moltenres_2_resid_vector () const override

Private Attributes
uint	nmoltenres_

uint	total_residue_

uint	nrotamers_

RotamerSetVector	set_of_rotamer_sets_

utility::vector1< uint >	resid_2_moltenres_

utility::vector1< uint >	moltenres_2_resid_

utility::vector1< uint >	nrotamer_offsets_

utility::vector1< uint >	moltenres_for_rotamer_

utility::vector1< uint >	nrotamers_for_moltenres_

Member Typedef Documentation

◆ PackerTaskCOP

typedef task::PackerTaskCOP core::pack::rotamer_set::RotamerSubsets::PackerTaskCOP

Constructor & Destructor Documentation

◆ RotamerSubsets()

core::pack::rotamer_set::RotamerSubsets::RotamerSubsets	(	FixbbRotamerSets &	source,
		utility::vector0< int > const &	rotamer_subset
	)

References core::pack_basic::RotamerSetsBase::moltenres_for_rotamer(), moltenres_for_rotamer_, nmoltenres_, nrotamer_offsets_, nrotamers_for_moltenres_, core::pack::rotamer_set::FixbbRotamerSets::rotamer_set_for_moltenresidue(), core::pack_basic::RotamerSetsBase::rotid_on_moltenresidue(), and set_of_rotamer_sets_.

◆ ~RotamerSubsets()

core::pack::rotamer_set::RotamerSubsets::~RotamerSubsets ( )

overridedefault

Member Function Documentation

◆ begin()

RotamerSetVector::const_iterator core::pack::rotamer_set::RotamerSubsets::begin ( )

inlineoverridevirtual

Implements core::pack::rotamer_set::FixbbRotamerSets.

References set_of_rotamer_sets_.

◆ end()

RotamerSetVector::const_iterator core::pack::rotamer_set::RotamerSubsets::end ( )

inlineoverridevirtual

Implements core::pack::rotamer_set::FixbbRotamerSets.

References set_of_rotamer_sets_.

◆ initialize_pose_for_rotsets_creation()

void core::pack::rotamer_set::RotamerSubsets::initialize_pose_for_rotsets_creation ( pose::Pose & ) const

inlineoverridevirtual

Give the pose a chance to stash any data needed by the rotset need nonconst access to pose.

Implements core::pack_basic::RotamerSetsBase.

◆ moltenres_2_resid()

uint core::pack::rotamer_set::RotamerSubsets::moltenres_2_resid ( uint mresid ) const

overridevirtual

Implements core::pack_basic::RotamerSetsBase.

References moltenres_2_resid_.

Referenced by res_for_rotamer().

◆ moltenres_2_resid_vector()

utility::vector1< uint > const& core::pack::rotamer_set::RotamerSubsets::moltenres_2_resid_vector ( ) const

inlineoverrideprotectedvirtual

Implements core::pack::rotamer_set::FixbbRotamerSets.

References moltenres_2_resid_.

◆ moltenres_for_rotamer()

uint core::pack::rotamer_set::RotamerSubsets::moltenres_for_rotamer ( uint rotid ) const

overridevirtual

Implements core::pack_basic::RotamerSetsBase.

References moltenres_for_rotamer_.

Referenced by res_for_rotamer().

◆ moltenres_rotid_2_rotid()

uint core::pack::rotamer_set::RotamerSubsets::moltenres_rotid_2_rotid	(	uint	moltenres,
		uint	moltenresrotid
	)		const

overridevirtual

convert moltenres rotid to id in full rotamer enumeration

Implements core::pack_basic::RotamerSetsBase.

References nrotamer_offsets_.

◆ nmoltenres()

uint core::pack::rotamer_set::RotamerSubsets::nmoltenres ( ) const

overridevirtual

Implements core::pack_basic::RotamerSetsBase.

References nmoltenres_.

◆ nrotamer_offset_for_moltenres()

uint core::pack::rotamer_set::RotamerSubsets::nrotamer_offset_for_moltenres ( uint mresid ) const

overridevirtual

Implements core::pack_basic::RotamerSetsBase.

References nrotamer_offsets_.

◆ nrotamers()

uint core::pack::rotamer_set::RotamerSubsets::nrotamers ( ) const

overridevirtual

Implements core::pack_basic::RotamerSetsBase.

References nrotamers_.

◆ nrotamers_for_moltenres()

uint core::pack::rotamer_set::RotamerSubsets::nrotamers_for_moltenres ( uint mresid ) const

overridevirtual

Implements core::pack_basic::RotamerSetsBase.

References rotamer_set_for_moltenresidue().

◆ res_for_rotamer()

uint core::pack::rotamer_set::RotamerSubsets::res_for_rotamer ( uint rotid ) const

overridevirtual

Implements core::pack_basic::RotamerSetsBase.

References moltenres_2_resid(), and moltenres_for_rotamer().

Referenced by rotamer().

◆ resid_2_moltenres()

uint core::pack::rotamer_set::RotamerSubsets::resid_2_moltenres ( uint resid ) const

overridevirtual

Implements core::pack_basic::RotamerSetsBase.

References resid_2_moltenres_.

Referenced by rotamer_set_for_residue().

◆ resid_2_moltenres_vector()

utility::vector1< uint > const& core::pack::rotamer_set::RotamerSubsets::resid_2_moltenres_vector ( ) const

inlineoverrideprotectedvirtual

Implements core::pack::rotamer_set::FixbbRotamerSets.

References resid_2_moltenres_.

◆ rotamer()

core::conformation::ResidueCOP core::pack::rotamer_set::RotamerSubsets::rotamer ( uint rotid ) const

overridevirtual

Implements core::pack_basic::RotamerSetsBase.

References res_for_rotamer(), rotamer_set_for_residue(), and rotid_on_moltenresidue().

◆ rotamer_for_moltenres()

core::conformation::ResidueCOP core::pack::rotamer_set::RotamerSubsets::rotamer_for_moltenres	(	uint	moltenres_id,
		uint	rotamerid
	)		const

overridevirtual

Implements core::pack_basic::RotamerSetsBase.

References rotamer_set_for_residue().

◆ rotamer_set_for_moltenresidue() [1/2]

RotamerSetCOP core::pack::rotamer_set::RotamerSubsets::rotamer_set_for_moltenresidue ( uint moltenresid ) const

overridevirtual

Implements core::pack::rotamer_set::FixbbRotamerSets.

References set_of_rotamer_sets_.

Referenced by nrotamers_for_moltenres().

◆ rotamer_set_for_moltenresidue() [2/2]

RotamerSetOP core::pack::rotamer_set::RotamerSubsets::rotamer_set_for_moltenresidue ( uint moltenresid )

overridevirtual

Implements core::pack::rotamer_set::FixbbRotamerSets.

References set_of_rotamer_sets_.

◆ rotamer_set_for_residue() [1/2]

RotamerSetCOP core::pack::rotamer_set::RotamerSubsets::rotamer_set_for_residue ( uint resid ) const

overridevirtual

Implements core::pack::rotamer_set::FixbbRotamerSets.

References resid_2_moltenres(), and set_of_rotamer_sets_.

Referenced by rotamer(), and rotamer_for_moltenres().

◆ rotamer_set_for_residue() [2/2]

RotamerSetOP core::pack::rotamer_set::RotamerSubsets::rotamer_set_for_residue ( uint resid )

overridevirtual

Implements core::pack::rotamer_set::FixbbRotamerSets.

References resid_2_moltenres(), and set_of_rotamer_sets_.

◆ rotid_on_moltenresidue()

uint core::pack::rotamer_set::RotamerSubsets::rotid_on_moltenresidue ( uint rotid ) const

overridevirtual

convert rotid in full rotamer enumeration into rotamer id on its source residue

Implements core::pack_basic::RotamerSetsBase.

References moltenres_for_rotamer_, and nrotamer_offsets_.

Referenced by rotamer().

◆ show()

void core::pack::rotamer_set::RotamerSubsets::show ( std::ostream & out ) const

overridevirtual

Implements core::pack::rotamer_set::FixbbRotamerSets.

References nmoltenres_, nrotamers_, core::conformation::membrane::out, set_of_rotamer_sets_, and total_residue_.

◆ total_residue()

uint core::pack::rotamer_set::RotamerSubsets::total_residue ( ) const

overridevirtual

Implements core::pack_basic::RotamerSetsBase.

References total_residue_.

Member Data Documentation

◆ moltenres_2_resid_

utility::vector1< uint > core::pack::rotamer_set::RotamerSubsets::moltenres_2_resid_

private

Referenced by moltenres_2_resid(), and moltenres_2_resid_vector().

◆ moltenres_for_rotamer_

utility::vector1< uint > core::pack::rotamer_set::RotamerSubsets::moltenres_for_rotamer_

private

Referenced by moltenres_for_rotamer(), RotamerSubsets(), and rotid_on_moltenresidue().

◆ nmoltenres_

uint core::pack::rotamer_set::RotamerSubsets::nmoltenres_

private

Referenced by nmoltenres(), RotamerSubsets(), and show().

◆ nrotamer_offsets_

utility::vector1< uint > core::pack::rotamer_set::RotamerSubsets::nrotamer_offsets_

private

Referenced by moltenres_rotid_2_rotid(), nrotamer_offset_for_moltenres(), RotamerSubsets(), and rotid_on_moltenresidue().

◆ nrotamers_

uint core::pack::rotamer_set::RotamerSubsets::nrotamers_

private

Referenced by nrotamers(), and show().

◆ nrotamers_for_moltenres_

utility::vector1< uint > core::pack::rotamer_set::RotamerSubsets::nrotamers_for_moltenres_

private

Referenced by RotamerSubsets().

◆ resid_2_moltenres_

utility::vector1< uint > core::pack::rotamer_set::RotamerSubsets::resid_2_moltenres_

private

Referenced by resid_2_moltenres(), and resid_2_moltenres_vector().

◆ set_of_rotamer_sets_

RotamerSetVector core::pack::rotamer_set::RotamerSubsets::set_of_rotamer_sets_

private

Referenced by begin(), end(), rotamer_set_for_moltenresidue(), rotamer_set_for_residue(), RotamerSubsets(), and show().

◆ total_residue_

uint core::pack::rotamer_set::RotamerSubsets::total_residue_

private

Referenced by show(), and total_residue().

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

src/core/pack/rotamer_set/RotamerSubsets.hh
src/core/pack/rotamer_set/RotamerSubsets.cc

Public Types

Public Member Functions

Protected Member Functions

Private Attributes

Member Typedef Documentation

◆ PackerTaskCOP

Constructor & Destructor Documentation

◆ RotamerSubsets()

◆ ~RotamerSubsets()

Member Function Documentation

◆ begin()

◆ end()

◆ initialize_pose_for_rotsets_creation()

◆ moltenres_2_resid()

◆ moltenres_2_resid_vector()

◆ moltenres_for_rotamer()

◆ moltenres_rotid_2_rotid()

◆ nmoltenres()

◆ nrotamer_offset_for_moltenres()

◆ nrotamers()

◆ nrotamers_for_moltenres()

◆ res_for_rotamer()

◆ resid_2_moltenres()

◆ resid_2_moltenres_vector()

◆ rotamer()

◆ rotamer_for_moltenres()

◆ rotamer_set_for_moltenresidue() [1/2]

◆ rotamer_set_for_moltenresidue() [2/2]

◆ rotamer_set_for_residue() [1/2]

◆ rotamer_set_for_residue() [2/2]

◆ rotid_on_moltenresidue()

◆ show()

◆ total_residue()

Member Data Documentation

◆ moltenres_2_resid_

◆ moltenres_for_rotamer_

◆ nmoltenres_

◆ nrotamer_offsets_

◆ nrotamers_

◆ nrotamers_for_moltenres_

◆ resid_2_moltenres_

◆ set_of_rotamer_sets_

◆ total_residue_