core::conformation::RotamerSetBase Class Reference

#include <RotamerSetBase.hh>

Inheritance diagram for core::conformation::RotamerSetBase:

Public Types
typedef basic::datacache::BasicDataCache	BasicDataCache
typedef basic::datacache::BasicDataCacheOP	BasicDataCacheOP

Public Member Functions
	RotamerSetBase ()
	~RotamerSetBase () override
virtual core::Size	get_n_residue_types () const =0
virtual Size	get_residue_type_begin (Size which_restype) const =0
virtual Size	get_n_rotamers_for_residue_type (Size which_restype) const =0
virtual Size	get_residue_type_index_for_rotamer (Size which_rotamer) const =0
	Rotamers i to i+j of all the same residue type are grouped together. This function returns the index of the residue type in a contiguous block of rotamers. E.g. rotamers 100 to 120 might all be lysine rotamers, and might be the 8th residue type, with the first 7 residue types spanning rotamers 1 to 99. If new lysine rotamers are appended to the end of the rotamer set, they are considered to be in a separate residue type block. Lysine rotamers 200 to 210 might be block 15 while lysine rotamers 100 to 120 are still block 7. More...
virtual Size	num_rotamers () const =0
virtual Size	resid () const =0
virtual conformation::ResidueCOP	rotamer (Size rot_id) const =0
virtual conformation::Residue const &	rotamer_ref (Size rot_id) const =0
virtual conformation::ResidueOP	nonconst_rotamer (Size rot_id)=0
	mutatable access to a single rotamer in the set. More...
virtual void	store_trie (Size method_enum_id, AbstractRotamerTrieOP trie)=0
virtual AbstractRotamerTrieCOP	get_trie (Size method_enum_id) const =0
BasicDataCache &	data ()
	BasicDataCache indexed by enum in core/pack/rotamer_set/RotamerSetCacheableDataType.hh. More...
BasicDataCache const &	data () const
	BasicDataCache indexed by enum in core/pack/rotamer_set/RotamerSetCacheableDataType.hh. More...

Private Types
typedef utility::VirtualBase	parent

Private Member Functions
	RotamerSetBase (RotamerSetBase const &)

Private Attributes
BasicDataCacheOP	data_cache_
	BasicDataCache indexed by enum in core/pack/rotamer_set/RotamerSetCacheableDataType.hh. More...

Member Typedef Documentation

typedef basic::datacache::BasicDataCache core::conformation::RotamerSetBase::BasicDataCache

typedef basic::datacache::BasicDataCacheOP core::conformation::RotamerSetBase::BasicDataCacheOP

typedef utility::VirtualBase core::conformation::RotamerSetBase::parent

private

Constructor & Destructor Documentation

core::conformation::RotamerSetBase::RotamerSetBase

(

)

core::conformation::RotamerSetBase::~RotamerSetBase ( )

overridedefault

core::conformation::RotamerSetBase::RotamerSetBase ( RotamerSetBase const &  )

private

Member Function Documentation

RotamerSetBase::BasicDataCache & core::conformation::RotamerSetBase::data

(

)

BasicDataCache indexed by enum in core/pack/rotamer_set/RotamerSetCacheableDataType.hh.

References data_cache_.

Referenced by core::energy_methods::FACTSEnergy::evaluate_rotamer_background_energies(), core::energy_methods::GenBornEnergy::evaluate_rotamer_background_energies(), core::energy_methods::VdWTinkerEnergy::evaluate_rotamer_background_energies(), core::energy_methods::MultipoleElecEnergy::evaluate_rotamer_background_energies(), core::energy_methods::FACTSEnergy::evaluate_rotamer_background_energy_maps(), core::energy_methods::GenBornEnergy::evaluate_rotamer_background_energy_maps(), core::energy_methods::VdWTinkerEnergy::evaluate_rotamer_background_energy_maps(), core::energy_methods::MultipoleElecEnergy::evaluate_rotamer_background_energy_maps(), core::energy_methods::FACTSEnergy::evaluate_rotamer_intrares_energies(), core::energy_methods::GenBornEnergy::evaluate_rotamer_intrares_energies(), core::energy_methods::VdWTinkerEnergy::evaluate_rotamer_intrares_energies(), core::energy_methods::MultipoleElecEnergy::evaluate_rotamer_intrares_energies(), core::energy_methods::FACTSEnergy::evaluate_rotamer_intrares_energy_maps(), core::energy_methods::GenBornEnergy::evaluate_rotamer_intrares_energy_maps(), core::energy_methods::VdWTinkerEnergy::evaluate_rotamer_intrares_energy_maps(), core::energy_methods::MultipoleElecEnergy::evaluate_rotamer_intrares_energy_maps(), core::energy_methods::FACTSEnergy::evaluate_rotamer_pair_energies(), core::energy_methods::GenBornEnergy::evaluate_rotamer_pair_energies(), core::energy_methods::VdWTinkerEnergy::evaluate_rotamer_pair_energies(), core::energy_methods::MultipoleElecEnergy::evaluate_rotamer_pair_energies(), core::scoring::facts::FACTSPotential::get_rotamers_born_radii(), core::scoring::GenBornPotential::get_rotamers_born_radii(), core::scoring::MultipoleElecPotential::get_rotamers_effective_radii(), core::scoring::MultipoleElecPotential::get_rotamers_multipole_info(), core::scoring::VdWTinkerPotential::get_rotamers_vdw_info(), core::scoring::lkball::LK_BallEnergy::prepare_rotamers_for_packing(), and core::scoring::lkball::retrieve_lkb_rotamer_set_info().

RotamerSetBase::BasicDataCache const & core::conformation::RotamerSetBase::data

(

)

const

BasicDataCache indexed by enum in core/pack/rotamer_set/RotamerSetCacheableDataType.hh.

References data_cache_.

virtual core::Size core::conformation::RotamerSetBase::get_n_residue_types ( ) const

pure virtual

Implemented in core::pack::rotamer_set::RotamerSet, core::pack::rotamer_set::RotamerSet_, and core::pack::rotamer_set::RotamerSubset.

Referenced by core::energy_methods::FACTSEnergy::evaluate_rotamer_background_energies(), core::energy_methods::GenBornEnergy::evaluate_rotamer_background_energies(), core::energy_methods::MultipoleElecEnergy::evaluate_rotamer_background_energies(), core::energy_methods::VdWTinkerEnergy::evaluate_rotamer_background_energies(), core::energy_methods::FA_GrpElecEnergy::evaluate_rotamer_background_energies(), core::energy_methods::FACTSEnergy::evaluate_rotamer_background_energy_maps(), core::energy_methods::GenBornEnergy::evaluate_rotamer_background_energy_maps(), core::energy_methods::VdWTinkerEnergy::evaluate_rotamer_background_energy_maps(), core::energy_methods::MultipoleElecEnergy::evaluate_rotamer_background_energy_maps(), core::scoring::methods::ShortRangeTwoBodyEnergy::evaluate_rotamer_pair_energies(), core::energy_methods::FACTSEnergy::evaluate_rotamer_pair_energies(), core::energy_methods::PairEnergy::evaluate_rotamer_pair_energies(), core::energy_methods::GenBornEnergy::evaluate_rotamer_pair_energies(), core::energy_methods::MultipoleElecEnergy::evaluate_rotamer_pair_energies(), and core::energy_methods::VdWTinkerEnergy::evaluate_rotamer_pair_energies().

virtual Size core::conformation::RotamerSetBase::get_n_rotamers_for_residue_type ( Size  which_restype ) const

pure virtual

Implemented in core::pack::rotamer_set::RotamerSet, core::pack::rotamer_set::RotamerSet_, and core::pack::rotamer_set::RotamerSubset.

Referenced by core::energy_methods::FACTSEnergy::evaluate_rotamer_background_energies(), core::energy_methods::GenBornEnergy::evaluate_rotamer_background_energies(), core::energy_methods::MultipoleElecEnergy::evaluate_rotamer_background_energies(), core::energy_methods::VdWTinkerEnergy::evaluate_rotamer_background_energies(), core::energy_methods::FA_GrpElecEnergy::evaluate_rotamer_background_energies(), core::energy_methods::FACTSEnergy::evaluate_rotamer_background_energy_maps(), core::energy_methods::GenBornEnergy::evaluate_rotamer_background_energy_maps(), core::energy_methods::VdWTinkerEnergy::evaluate_rotamer_background_energy_maps(), core::energy_methods::MultipoleElecEnergy::evaluate_rotamer_background_energy_maps(), core::scoring::methods::ShortRangeTwoBodyEnergy::evaluate_rotamer_pair_energies(), core::energy_methods::FACTSEnergy::evaluate_rotamer_pair_energies(), core::energy_methods::PairEnergy::evaluate_rotamer_pair_energies(), core::energy_methods::GenBornEnergy::evaluate_rotamer_pair_energies(), core::energy_methods::MultipoleElecEnergy::evaluate_rotamer_pair_energies(), and core::energy_methods::VdWTinkerEnergy::evaluate_rotamer_pair_energies().

virtual Size core::conformation::RotamerSetBase::get_residue_type_begin ( Size  which_restype ) const

pure virtual

Implemented in core::pack::rotamer_set::RotamerSet, core::pack::rotamer_set::RotamerSet_, and core::pack::rotamer_set::RotamerSubset.

Referenced by core::energy_methods::FACTSEnergy::evaluate_rotamer_background_energies(), core::energy_methods::GenBornEnergy::evaluate_rotamer_background_energies(), core::energy_methods::MultipoleElecEnergy::evaluate_rotamer_background_energies(), core::energy_methods::VdWTinkerEnergy::evaluate_rotamer_background_energies(), core::energy_methods::FA_GrpElecEnergy::evaluate_rotamer_background_energies(), core::energy_methods::FACTSEnergy::evaluate_rotamer_background_energy_maps(), core::energy_methods::GenBornEnergy::evaluate_rotamer_background_energy_maps(), core::energy_methods::VdWTinkerEnergy::evaluate_rotamer_background_energy_maps(), core::energy_methods::MultipoleElecEnergy::evaluate_rotamer_background_energy_maps(), core::scoring::methods::ShortRangeTwoBodyEnergy::evaluate_rotamer_pair_energies(), core::energy_methods::FACTSEnergy::evaluate_rotamer_pair_energies(), core::energy_methods::PairEnergy::evaluate_rotamer_pair_energies(), core::energy_methods::GenBornEnergy::evaluate_rotamer_pair_energies(), core::energy_methods::MultipoleElecEnergy::evaluate_rotamer_pair_energies(), and core::energy_methods::VdWTinkerEnergy::evaluate_rotamer_pair_energies().

virtual Size core::conformation::RotamerSetBase::get_residue_type_index_for_rotamer ( Size  which_rotamer ) const

pure virtual

Rotamers i to i+j of all the same residue type are grouped together. This function returns the index of the residue type in a contiguous block of rotamers. E.g. rotamers 100 to 120 might all be lysine rotamers, and might be the 8th residue type, with the first 7 residue types spanning rotamers 1 to 99. If new lysine rotamers are appended to the end of the rotamer set, they are considered to be in a separate residue type block. Lysine rotamers 200 to 210 might be block 15 while lysine rotamers 100 to 120 are still block 7.

Implemented in core::pack::rotamer_set::RotamerSet, core::pack::rotamer_set::RotamerSet_, and core::pack::rotamer_set::RotamerSubset.

virtual AbstractRotamerTrieCOP core::conformation::RotamerSetBase::get_trie ( Size  method_enum_id ) const

pure virtual

Implemented in core::pack::rotamer_set::RotamerSet, core::pack::rotamer_set::RotamerSet_, and core::pack::rotamer_set::RotamerSubset.

Referenced by core::scoring::methods::MMLJEnergyInter::evaluate_rotamer_background_energies(), core::scoring::hbonds::HBondEnergy::evaluate_rotamer_background_energies(), core::scoring::elec::FA_ElecEnergy::evaluate_rotamer_background_energies(), core::scoring::etable::BaseEtableEnergy< Derived >::evaluate_rotamer_background_energies(), core::scoring::lkball::LK_BallEnergy::evaluate_rotamer_background_energies(), core::scoring::methods::MMLJEnergyInter::evaluate_rotamer_pair_energies(), core::scoring::vdwaals::VDW_Energy::evaluate_rotamer_pair_energies(), core::scoring::hbonds::HBondEnergy::evaluate_rotamer_pair_energies(), core::scoring::elec::FA_ElecEnergy::evaluate_rotamer_pair_energies(), core::scoring::etable::BaseEtableEnergy< Derived >::evaluate_rotamer_pair_energies(), core::scoring::lkball::LK_BallEnergy::evaluate_rotamer_pair_energies(), core::scoring::vdwaals::VDW_Energy::get_count_pair_function_trie(), core::scoring::methods::MMLJEnergyInter::get_count_pair_function_trie(), core::scoring::elec::FA_ElecEnergy::get_count_pair_function_trie(), core::scoring::lkball::LK_BallEnergy::get_count_pair_function_trie(), and core::scoring::etable::BaseEtableEnergy< Derived >::get_count_pair_function_trie().

virtual conformation::ResidueOP core::conformation::RotamerSetBase::nonconst_rotamer ( Size  rot_id )

pure virtual

mutatable access to a single rotamer in the set.

Implemented in core::pack::rotamer_set::RotamerSet, core::pack::rotamer_set::RotamerSet_, and core::pack::rotamer_set::RotamerSubset.

Referenced by core::energy_methods::CustomAtomPairEnergy::prepare_rotamers_for_packing(), core::energy_methods::PairEnergy::prepare_rotamers_for_packing(), core::scoring::lkball::LK_BallEnergy::prepare_rotamers_for_packing(), and core::scoring::orbitals::OrbitalsScore::prepare_rotamers_for_packing().

virtual Size core::conformation::RotamerSetBase::num_rotamers ( ) const

pure virtual

Implemented in core::pack::rotamer_set::RotamerSet, core::pack::rotamer_set::RotamerSet_, and core::pack::rotamer_set::RotamerSubset.

Referenced by core::scoring::trie::create_cpdata_correspondence_for_rotamerset(), core::scoring::hbonds::HBondEnergy::create_rotamer_trie(), core::scoring::elec::FA_ElecEnergy::create_rotamer_trie(), core::scoring::lkball::LK_BallEnergy::create_rotamer_trie(), core::scoring::trie::create_trie(), core::scoring::methods::ShortRangeTwoBodyEnergy::evaluate_rotamer_background_energies(), core::energy_methods::FA_ElecEnergyAroAro::evaluate_rotamer_background_energies(), core::energy_methods::FA_ElecEnergyAroAll::evaluate_rotamer_background_energies(), core::scoring::methods::MMLJEnergyInter::evaluate_rotamer_background_energies(), core::energy_methods::PairEnergy::evaluate_rotamer_background_energies(), core::energy_methods::RNA_FA_ElecEnergy::evaluate_rotamer_background_energies(), core::scoring::hbonds::HBondEnergy::evaluate_rotamer_background_energies(), core::scoring::elec::FA_ElecEnergy::evaluate_rotamer_background_energies(), core::scoring::etable::BaseEtableEnergy< Derived >::evaluate_rotamer_background_energies(), core::scoring::lkball::LK_BallEnergy::evaluate_rotamer_background_energies(), core::scoring::methods::TwoBodyEnergy::evaluate_rotamer_background_energies(), core::scoring::methods::ShortRangeTwoBodyEnergy::evaluate_rotamer_background_energy_maps(), core::energy_methods::PairEnergy::evaluate_rotamer_background_energy_maps(), core::scoring::methods::TwoBodyEnergy::evaluate_rotamer_background_energy_maps(), core::energy_methods::FACTSEnergy::evaluate_rotamer_intrares_energies(), core::energy_methods::GenBornEnergy::evaluate_rotamer_intrares_energies(), core::energy_methods::VdWTinkerEnergy::evaluate_rotamer_intrares_energies(), core::energy_methods::MultipoleElecEnergy::evaluate_rotamer_intrares_energies(), core::scoring::elec::FA_ElecEnergy::evaluate_rotamer_intrares_energies(), core::scoring::methods::TwoBodyEnergy::evaluate_rotamer_intrares_energies(), core::pack::guidance_scoreterms::approximate_buried_unsat_penalty::ApproximateBuriedUnsatPenalty::evaluate_rotamer_intrares_energy_maps(), core::energy_methods::FACTSEnergy::evaluate_rotamer_intrares_energy_maps(), core::energy_methods::GenBornEnergy::evaluate_rotamer_intrares_energy_maps(), core::energy_methods::VdWTinkerEnergy::evaluate_rotamer_intrares_energy_maps(), core::energy_methods::MultipoleElecEnergy::evaluate_rotamer_intrares_energy_maps(), core::scoring::methods::TwoBodyEnergy::evaluate_rotamer_intrares_energy_maps(), core::pack::guidance_scoreterms::approximate_buried_unsat_penalty::ApproximateBuriedUnsatPenalty::evaluate_rotamer_pair_energies(), core::energy_methods::FA_ElecEnergyAroAro::evaluate_rotamer_pair_energies(), core::energy_methods::FA_ElecEnergyAroAll::evaluate_rotamer_pair_energies(), core::energy_methods::RNA_FA_ElecEnergy::evaluate_rotamer_pair_energies(), core::energy_methods::FA_GrpElecEnergy::evaluate_rotamer_pair_energies(), core::scoring::methods::TwoBodyEnergy::evaluate_rotamer_pair_energies(), core::scoring::facts::FACTSPotential::get_rotamers_born_radii(), core::scoring::GenBornPotential::get_rotamers_born_radii(), core::scoring::MultipoleElecPotential::get_rotamers_effective_radii(), core::scoring::MultipoleElecPotential::get_rotamers_multipole_info(), core::scoring::VdWTinkerPotential::get_rotamers_vdw_info(), core::scoring::VdWTinkerRotamerSetInfo::initialize(), core::scoring::GenBornRotamerSetInfo::initialize(), core::scoring::facts::FACTSRotamerSetInfo::initialize(), core::scoring::MultipoleElecRotamerSetInfo::initialize(), core::energy_methods::CustomAtomPairEnergy::prepare_rotamers_for_packing(), core::energy_methods::PairEnergy::prepare_rotamers_for_packing(), core::scoring::lkball::LK_BallEnergy::prepare_rotamers_for_packing(), core::scoring::elec::FA_ElecEnergy::prepare_rotamers_for_packing(), and core::scoring::orbitals::OrbitalsScore::prepare_rotamers_for_packing().

virtual Size core::conformation::RotamerSetBase::resid ( ) const

pure virtual

Implemented in core::pack::rotamer_set::RotamerSet.

Referenced by core::scoring::hbonds::HBondEnergy::create_rotamer_trie(), core::scoring::methods::MMLJEnergyInter::evaluate_rotamer_background_energies(), core::energy_methods::FA_GrpElecEnergy::evaluate_rotamer_background_energies(), core::scoring::hbonds::HBondEnergy::evaluate_rotamer_background_energies(), core::scoring::elec::FA_ElecEnergy::evaluate_rotamer_background_energies(), core::scoring::etable::BaseEtableEnergy< Derived >::evaluate_rotamer_background_energies(), core::scoring::lkball::LK_BallEnergy::evaluate_rotamer_background_energies(), core::energy_methods::FACTSEnergy::evaluate_rotamer_intrares_energies(), core::energy_methods::GenBornEnergy::evaluate_rotamer_intrares_energies(), core::energy_methods::MultipoleElecEnergy::evaluate_rotamer_intrares_energies(), core::energy_methods::VdWTinkerEnergy::evaluate_rotamer_intrares_energies(), core::pack::guidance_scoreterms::approximate_buried_unsat_penalty::ApproximateBuriedUnsatPenalty::evaluate_rotamer_intrares_energy_maps(), core::energy_methods::FACTSEnergy::evaluate_rotamer_intrares_energy_maps(), core::energy_methods::GenBornEnergy::evaluate_rotamer_intrares_energy_maps(), core::energy_methods::MultipoleElecEnergy::evaluate_rotamer_intrares_energy_maps(), core::energy_methods::VdWTinkerEnergy::evaluate_rotamer_intrares_energy_maps(), core::pack::guidance_scoreterms::approximate_buried_unsat_penalty::ApproximateBuriedUnsatPenalty::evaluate_rotamer_pair_energies(), core::scoring::methods::MMLJEnergyInter::evaluate_rotamer_pair_energies(), core::energy_methods::FACTSEnergy::evaluate_rotamer_pair_energies(), core::scoring::vdwaals::VDW_Energy::evaluate_rotamer_pair_energies(), core::energy_methods::GenBornEnergy::evaluate_rotamer_pair_energies(), core::energy_methods::VdWTinkerEnergy::evaluate_rotamer_pair_energies(), core::energy_methods::MultipoleElecEnergy::evaluate_rotamer_pair_energies(), core::energy_methods::FA_GrpElecEnergy::evaluate_rotamer_pair_energies(), core::scoring::hbonds::HBondEnergy::evaluate_rotamer_pair_energies(), core::scoring::elec::FA_ElecEnergy::evaluate_rotamer_pair_energies(), core::scoring::etable::BaseEtableEnergy< Derived >::evaluate_rotamer_pair_energies(), core::scoring::lkball::LK_BallEnergy::evaluate_rotamer_pair_energies(), core::scoring::vdwaals::VDW_Energy::get_count_pair_function_trie(), core::scoring::methods::MMLJEnergyInter::get_count_pair_function_trie(), core::scoring::elec::FA_ElecEnergy::get_count_pair_function_trie(), core::scoring::lkball::LK_BallEnergy::get_count_pair_function_trie(), and core::scoring::etable::BaseEtableEnergy< Derived >::get_count_pair_function_trie().

virtual conformation::ResidueCOP core::conformation::RotamerSetBase::rotamer ( Size  rot_id ) const

pure virtual

Implemented in core::pack::rotamer_set::RotamerSet, core::pack::rotamer_set::RotamerSet_, and core::pack::rotamer_set::RotamerSubset.

Referenced by core::scoring::trie::create_cpdata_correspondence_for_rotamerset(), core::scoring::hbonds::HBondEnergy::create_rotamer_trie(), core::scoring::elec::FA_ElecEnergy::create_rotamer_trie(), core::scoring::lkball::LK_BallEnergy::create_rotamer_trie(), core::scoring::trie::create_trie(), core::energy_methods::FA_ElecEnergyAroAro::evaluate_rotamer_background_energies(), core::energy_methods::FA_ElecEnergyAroAll::evaluate_rotamer_background_energies(), core::energy_methods::FACTSEnergy::evaluate_rotamer_background_energies(), core::energy_methods::PairEnergy::evaluate_rotamer_background_energies(), core::energy_methods::GenBornEnergy::evaluate_rotamer_background_energies(), core::energy_methods::RNA_FA_ElecEnergy::evaluate_rotamer_background_energies(), core::energy_methods::MultipoleElecEnergy::evaluate_rotamer_background_energies(), core::energy_methods::VdWTinkerEnergy::evaluate_rotamer_background_energies(), core::energy_methods::FA_GrpElecEnergy::evaluate_rotamer_background_energies(), core::scoring::methods::TwoBodyEnergy::evaluate_rotamer_background_energies(), core::energy_methods::FACTSEnergy::evaluate_rotamer_background_energy_maps(), core::energy_methods::PairEnergy::evaluate_rotamer_background_energy_maps(), core::energy_methods::GenBornEnergy::evaluate_rotamer_background_energy_maps(), core::energy_methods::MultipoleElecEnergy::evaluate_rotamer_background_energy_maps(), core::energy_methods::VdWTinkerEnergy::evaluate_rotamer_background_energy_maps(), core::scoring::methods::TwoBodyEnergy::evaluate_rotamer_background_energy_maps(), core::energy_methods::FACTSEnergy::evaluate_rotamer_intrares_energies(), core::energy_methods::GenBornEnergy::evaluate_rotamer_intrares_energies(), core::energy_methods::MultipoleElecEnergy::evaluate_rotamer_intrares_energies(), core::energy_methods::VdWTinkerEnergy::evaluate_rotamer_intrares_energies(), core::scoring::elec::FA_ElecEnergy::evaluate_rotamer_intrares_energies(), core::scoring::methods::TwoBodyEnergy::evaluate_rotamer_intrares_energies(), core::energy_methods::FACTSEnergy::evaluate_rotamer_intrares_energy_maps(), core::energy_methods::GenBornEnergy::evaluate_rotamer_intrares_energy_maps(), core::energy_methods::MultipoleElecEnergy::evaluate_rotamer_intrares_energy_maps(), core::energy_methods::VdWTinkerEnergy::evaluate_rotamer_intrares_energy_maps(), core::scoring::methods::TwoBodyEnergy::evaluate_rotamer_intrares_energy_maps(), core::energy_methods::FA_ElecEnergyAroAro::evaluate_rotamer_pair_energies(), core::energy_methods::FA_ElecEnergyAroAll::evaluate_rotamer_pair_energies(), core::energy_methods::FACTSEnergy::evaluate_rotamer_pair_energies(), core::energy_methods::GenBornEnergy::evaluate_rotamer_pair_energies(), core::energy_methods::RNA_FA_ElecEnergy::evaluate_rotamer_pair_energies(), core::energy_methods::MultipoleElecEnergy::evaluate_rotamer_pair_energies(), core::energy_methods::VdWTinkerEnergy::evaluate_rotamer_pair_energies(), core::energy_methods::FA_GrpElecEnergy::evaluate_rotamer_pair_energies(), core::scoring::methods::TwoBodyEnergy::evaluate_rotamer_pair_energies(), core::scoring::facts::FACTSPotential::get_rotamers_born_radii(), core::scoring::GenBornPotential::get_rotamers_born_radii(), core::scoring::MultipoleElecPotential::get_rotamers_effective_radii(), core::scoring::MultipoleElecPotential::get_rotamers_multipole_info(), core::scoring::VdWTinkerPotential::get_rotamers_vdw_info(), core::scoring::VdWTinkerRotamerSetInfo::initialize(), core::scoring::GenBornRotamerSetInfo::initialize(), core::scoring::facts::FACTSRotamerSetInfo::initialize(), core::scoring::MultipoleElecRotamerSetInfo::initialize(), and core::scoring::elec::FA_ElecEnergy::prepare_rotamers_for_packing().

virtual conformation::Residue const& core::conformation::RotamerSetBase::rotamer_ref ( Size  rot_id ) const

pure virtual

Implemented in core::pack::rotamer_set::RotamerSet_, and core::pack::rotamer_set::RotamerSubset.

Referenced by core::scoring::methods::ShortRangeTwoBodyEnergy::evaluate_rotamer_background_energies(), core::scoring::methods::ShortRangeTwoBodyEnergy::evaluate_rotamer_background_energy_maps(), core::scoring::methods::ShortRangeTwoBodyEnergy::evaluate_rotamer_pair_energies(), and core::energy_methods::PairEnergy::evaluate_rotamer_pair_energies().

virtual void core::conformation::RotamerSetBase::store_trie ( Size  method_enum_id, AbstractRotamerTrieOP  trie  )

pure virtual

Implemented in core::pack::rotamer_set::RotamerSet, core::pack::rotamer_set::RotamerSet_, and core::pack::rotamer_set::RotamerSubset.

Referenced by core::scoring::vdwaals::VDW_Energy::prepare_rotamers_for_packing(), core::scoring::methods::MMLJEnergyInter::prepare_rotamers_for_packing(), core::scoring::hbonds::HBondEnergy::prepare_rotamers_for_packing(), core::scoring::lkball::LK_BallEnergy::prepare_rotamers_for_packing(), core::scoring::etable::BaseEtableEnergy< Derived >::prepare_rotamers_for_packing(), and core::scoring::elec::FA_ElecEnergy::prepare_rotamers_for_packing().

Member Data Documentation

BasicDataCacheOP core::conformation::RotamerSetBase::data_cache_

private

BasicDataCache indexed by enum in core/pack/rotamer_set/RotamerSetCacheableDataType.hh.

Warning

DataCache must always be initialized with the number of cacheable data types – see the last enum entry.

Referenced by data().

---

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

• src/core/conformation/RotamerSetBase.hh
• src/core/conformation/RotamerSetBase.cc