#include <RotamerSubsets.hh>

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

Collaboration diagram for core::pack::rotamer_set::RotamerSubsets:

Public Types
typedef task::PackerTaskCOP	PackerTaskCOP

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

typedef utility::vector1 < RotamerSetOP >	RotamerSetVector

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

	~RotamerSubsets ()

virtual uint	nrotamers () const

virtual uint	nrotamers_for_moltenres (uint) const

virtual uint	total_residue () const

virtual uint	nmoltenres () const

virtual uint	moltenres_2_resid (uint) const

virtual uint	resid_2_moltenres (uint) const

virtual uint	moltenres_for_rotamer (uint) const

virtual uint	res_for_rotamer (uint) const

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

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

virtual uint	nrotamer_offset_for_moltenres (uint) const

virtual RotamerSetCOP	rotamer_set_for_residue (uint resid) const

virtual RotamerSetOP	rotamer_set_for_residue (uint resid)

virtual RotamerSetCOP	rotamer_set_for_moltenresidue (uint moltenresid) const

virtual RotamerSetOP	rotamer_set_for_moltenresidue (uint moltenresid)

RotamerSetVector::const_iterator	begin ()

RotamerSetVector::const_iterator	end ()

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

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

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

virtual	~FixbbRotamerSets ()

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

virtual	~RotamerSetsBase ()

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

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

Private Member Functions
void	update_offset_data ()

Detailed Description

Definition at line 54 of file RotamerSubsets.hh.

Member Typedef Documentation

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

Definition at line 57 of file RotamerSubsets.hh.

Constructor & Destructor Documentation

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

Definition at line 38 of file RotamerSubsets.cc.

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

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

Definition at line 88 of file RotamerSubsets.cc.

Member Function Documentation

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

inlinevirtual

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

Definition at line 114 of file RotamerSubsets.hh.

References set_of_rotamer_sets_.

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

inlinevirtual

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

Definition at line 117 of file RotamerSubsets.hh.

References set_of_rotamer_sets_.

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

virtual

Implements core::pack::rotamer_set::RotamerSetsBase.

Definition at line 129 of file RotamerSubsets.cc.

References moltenres_2_resid_.

Referenced by res_for_rotamer().

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

inlineprotectedvirtual

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

Definition at line 144 of file RotamerSubsets.hh.

References moltenres_2_resid_.

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

virtual

Implements core::pack::rotamer_set::RotamerSetsBase.

Definition at line 135 of file RotamerSubsets.cc.

References moltenres_for_rotamer_.

Referenced by res_for_rotamer().

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

virtual

convert moltenres rotid to id in full rotamer enumeration

Implements core::pack::rotamer_set::RotamerSetsBase.

Definition at line 178 of file RotamerSubsets.cc.

References nrotamer_offsets_.

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

virtual

Implements core::pack::rotamer_set::RotamerSetsBase.

Definition at line 124 of file RotamerSubsets.cc.

References nmoltenres_.

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

virtual

Implements core::pack::rotamer_set::RotamerSetsBase.

Definition at line 154 of file RotamerSubsets.cc.

References nrotamer_offsets_.

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

virtual

Implements core::pack::rotamer_set::RotamerSetsBase.

Definition at line 118 of file RotamerSubsets.cc.

References nrotamers_.

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

virtual

Implements core::pack::rotamer_set::RotamerSetsBase.

Definition at line 119 of file RotamerSubsets.cc.

References rotamer_set_for_moltenresidue().

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

virtual

Implements core::pack::rotamer_set::RotamerSetsBase.

Definition at line 138 of file RotamerSubsets.cc.

References moltenres_2_resid(), and moltenres_for_rotamer().

Referenced by rotamer().

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

virtual

Implements core::pack::rotamer_set::RotamerSetsBase.

Definition at line 132 of file RotamerSubsets.cc.

References resid_2_moltenres_.

Referenced by rotamer_set_for_residue().

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

inlineprotectedvirtual

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

Definition at line 138 of file RotamerSubsets.hh.

References resid_2_moltenres_.

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

virtual

Implements core::pack::rotamer_set::RotamerSetsBase.

Definition at line 141 of file RotamerSubsets.cc.

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

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

virtual

Implements core::pack::rotamer_set::RotamerSetsBase.

Definition at line 147 of file RotamerSubsets.cc.

References rotamer_set_for_residue().

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

virtual

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

Definition at line 163 of file RotamerSubsets.cc.

References set_of_rotamer_sets_.

Referenced by nrotamers_for_moltenres().

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

virtual

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

Definition at line 167 of file RotamerSubsets.cc.

References set_of_rotamer_sets_.

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

virtual

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

Definition at line 157 of file RotamerSubsets.cc.

References resid_2_moltenres(), and set_of_rotamer_sets_.

Referenced by rotamer(), and rotamer_for_moltenres().

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

virtual

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

Definition at line 160 of file RotamerSubsets.cc.

References resid_2_moltenres(), and set_of_rotamer_sets_.

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

virtual

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

Implements core::pack::rotamer_set::RotamerSetsBase.

Definition at line 171 of file RotamerSubsets.cc.

References moltenres_for_rotamer_, and nrotamer_offsets_.

Referenced by rotamer().

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

virtual

Implements core::pack::rotamer_set::RotamerSetsBase.

Definition at line 126 of file RotamerSubsets.cc.

References total_residue_.

void core::pack::rotamer_set::RotamerSubsets::update_offset_data ( )

private

Definition at line 91 of file RotamerSubsets.cc.

References moltenres_for_rotamer_, nmoltenres_, nrotamer_offsets_, nrotamers_, nrotamers_for_moltenres_, and set_of_rotamer_sets_.

Member Data Documentation

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

private

Definition at line 156 of file RotamerSubsets.hh.

Referenced by moltenres_2_resid(), and moltenres_2_resid_vector().

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

private

Definition at line 160 of file RotamerSubsets.hh.

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

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

private

Definition at line 149 of file RotamerSubsets.hh.

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

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

private

Definition at line 157 of file RotamerSubsets.hh.

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

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

private

Definition at line 152 of file RotamerSubsets.hh.

Referenced by nrotamers(), and update_offset_data().

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

private

Definition at line 161 of file RotamerSubsets.hh.

Referenced by RotamerSubsets(), and update_offset_data().

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

private

Definition at line 155 of file RotamerSubsets.hh.

Referenced by resid_2_moltenres(), and resid_2_moltenres_vector().

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

private

Definition at line 154 of file RotamerSubsets.hh.

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

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

private

Definition at line 150 of file RotamerSubsets.hh.

Referenced by 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

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_

Public Types

Public Member Functions

Protected Member Functions

Private Member Functions

Private Attributes

Detailed Description

Member Typedef Documentation

Constructor & Destructor Documentation

Member Function Documentation

Member Data Documentation