Rosetta 3.4
Public Types | Public Member Functions
core::scoring::methods::TwoBodyEnergy Class Reference

#include <TwoBodyEnergy.hh>

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List of all members.

Public Types

typedef EnergyMethod parent

Public Member Functions

 TwoBodyEnergy (EnergyMethodCreatorOP)
 Constructor, requiring an EnergyMethodCreator. No default constructor provided to force EnergyMethod writers to provide an energy-method-creator at construction time.
virtual ~TwoBodyEnergy ()
virtual void residue_pair_energy (conformation::Residue const &rsd1, conformation::Residue const &rsd2, pose::Pose const &pose, ScoreFunction const &sfxn, EnergyMap &emap) const =0
 Evaluate the interaction between a given residue pair accumulating the unweighted energies in an EnergyMap.
virtual bool defines_score_for_residue_pair (conformation::Residue const &res1, conformation::Residue const &res2, bool res_moving_wrt_eachother) const
 During minimization, energy methods are allowed to decide that they say nothing about a particular residue pair (e.g. no non-zero energy) and as a result they will not be queried for a derivative or an energy. The default implementation returns "true" for all residue pairs. Context-dependent two-body energies have the option of behaving as if they are context-independent by returning "false" for residue pairs that do no move wrt each other.
virtual bool use_extended_residue_pair_energy_interface () const
 Rely on the extended version of the residue_pair_energy function during score-function evaluation in minimization? The extended version (below) takes a ResPairMinimizationData in which the derived base class has (or should have) cached a piece of data that will make residue-pair energy evaluation faster than its absense (e.g. a neighbor list). Derived energy methods should return 'true' from this function to use the extended interface. The default method implemented in this class returns 'false'.
virtual void residue_pair_energy_ext (conformation::Residue const &rsd1, conformation::Residue const &rsd2, ResPairMinimizationData const &min_data, pose::Pose const &pose, ScoreFunction const &sfxn, EnergyMap &emap) const
 Evaluate the two-body energies for a particular residue, in the context of a given Pose, and with the help of a piece of cached data for minimization, increment those two body energies into the input EnergyMap. The calling function must guarantee that this EnergyMethod has had the opportunity to update the input ResPairMinimizationData object for the given residues in a call to setup_for_minimizing_for_residue_pair before this function is invoked. This function should not be called unless the use_extended_residue_pair_energy_interface() method returns "true". Default implementation provided by this base class calls utility::exit().
virtual void setup_for_minimizing_for_residue (conformation::Residue const &rsd, pose::Pose const &pose, ScoreFunction const &sfxn, kinematics::MinimizerMapBase const &minmap, ResSingleMinimizationData &res_data_cache) const
 Called at the beginning of minimization, allowing this energy method to cache data pertinent for a single residue in the the ResPairMinimizationData that is used for a particular residue in the context of a particular Pose. This base class provides a noop implementation for this function if there is nothing that the derived class needs to perform in this setup phase.
virtual void setup_for_minimizing_for_residue_pair (conformation::Residue const &rsd1, conformation::Residue const &rsd2, pose::Pose const &pose, ScoreFunction const &sfxn, kinematics::MinimizerMapBase const &minmap, ResSingleMinimizationData const &res1_data_cache, ResSingleMinimizationData const &res2_data_cache, ResPairMinimizationData &data_cache) const
 Called at the beginning of minimization, allowing this energy method to cache data pertinent for a single residue in the the ResPairMinimizationData that is used for a particular residue in the context of a particular Pose. This base class provides a noop implementation for this function if there is nothing that the derived class needs to perform in this setup phase.
virtual bool requires_a_setup_for_scoring_for_residue_opportunity (pose::Pose const &pose) const
 Does this EnergyMethod require the opportunity to examine the residue before scoring begins? Not all energy methods would. The ScoreFunction will not ask energy methods to examine residues that are uninterested in doing so.
virtual void setup_for_scoring_for_residue (conformation::Residue const &rsd, pose::Pose const &pose, ScoreFunction const &sfxn, ResSingleMinimizationData &min_data) const
 Do any setup work should the coordinates of this residue (who is still guaranteed to be of the same residue type as when setup_for_minimizing_for_residue was called) have changed so dramatically as to possibly require some amount of setup work before scoring should proceed. This function is used for both intra-residue setup and pre-inter-residue setup.
virtual bool requires_a_setup_for_derivatives_for_residue_opportunity (pose::Pose const &pose) const
 Does this EnergyMethod require the opportunity to examine each residue before derivative evaluation begins? Not all energy methods would. The ScoreFunction will not ask energy methods to examine residue pairs that are uninterested in doing so.
virtual void setup_for_derivatives_for_residue (conformation::Residue const &rsd, pose::Pose const &pose, ScoreFunction const &sfxn, ResSingleMinimizationData &min_data) const
 Do any setup work necessary before evaluating the derivatives for this residue.
virtual bool requires_a_setup_for_scoring_for_residue_pair_opportunity (pose::Pose const &pose) const
 Does this EnergyMethod require the opportunity to examine each residue pair before scoring begins? Not all energy methods would. The ScoreFunction will not ask energy methods to examine residue pairs that are uninterested in doing so.
virtual void setup_for_scoring_for_residue_pair (conformation::Residue const &rsd1, conformation::Residue const &rsd2, ResSingleMinimizationData const &minsingle_data1, ResSingleMinimizationData const &minsingle_data2, pose::Pose const &pose, ScoreFunction const &sfxn, ResPairMinimizationData &data_cache) const
 Do any setup work should the coordinates of a pair of residues, who are still guaranteed to be of the same residue type as when setup_for_minimizing_for_residue was called, have changed so dramatically as to possibly require some amount of setup work before scoring should proceed.
virtual bool requires_a_setup_for_derivatives_for_residue_pair_opportunity (pose::Pose const &pose) const
 Does this EnergyMethod require the opportunity to examine each residue pair before derivative evaluation begins? Not all energy methods would. The ScoreFunction will not ask energy methods to examine residue pairs that are uninterested in doing so.
virtual void setup_for_derivatives_for_residue_pair (conformation::Residue const &rsd1, conformation::Residue const &rsd2, ResSingleMinimizationData const &minsingle_data1, ResSingleMinimizationData const &minsingle_data2, pose::Pose const &pose, ScoreFunction const &sfxn, ResPairMinimizationData &data_cache) const
 Do any setup work necessary before evaluating the derivatives for this residue pair.
virtual void eval_residue_pair_derivatives (conformation::Residue const &rsd1, conformation::Residue const &rsd2, ResSingleMinimizationData const &, ResSingleMinimizationData const &, ResPairMinimizationData const &min_data, pose::Pose const &pose, EnergyMap const &weights, utility::vector1< DerivVectorPair > &r1_atom_derivs, utility::vector1< DerivVectorPair > &r2_atom_derivs) const
 Evaluate the derivative for an atom in rsd1 with respect to rsd2 in the context of a particular pose, and increment the F1 and F2 vectors. This base class provides a default noop implementation of this function. The calling function must guarantee that this EnergyMethod has had the opportunity to update the input ResPairMinimizationData object for the given residue in a call to prepare_for_minimization before this function is invoked. DEPRECATED. Too slow. Too much overhead for each atom; slowed fast-relax runs by ~40%.
virtual void backbone_backbone_energy (conformation::Residue const &rsd1, conformation::Residue const &rsd2, pose::Pose const &pose, ScoreFunction const &sfxn, EnergyMap &emap) const
 Evaluate the interaction between the backbone of rsd1 and the backbone of rsd2 and accumulate the unweighted energies. The sum bb_bb(r1,r2) + bb_sc(r1,r2) + bb_sc(r2,r1) + sc_sc( r1,r2) must equal the weighted result of a call to residue_pair_energy. By default, bb_bb & bb_sc return 0 and sc_sc returns residue pair energy.
virtual void backbone_sidechain_energy (conformation::Residue const &rsd1, conformation::Residue const &rsd2, pose::Pose const &pose, ScoreFunction const &sfxn, EnergyMap &emap) const
 Evaluate the interaction between the backbone of rsd1 and the sidechain of rsd2 and accumulate the unweighted energies. The sum bb_bb(r1,r2) + bb_sc(r1,r2) + bb_sc(r2,r1) + sc_sc( r1,r2) must equal the unweighted result of a call to residue_pair_energy. By default, bb_bb & bb_sc return 0 and sc_sc returns residue pair energy.
virtual void sidechain_sidechain_energy (conformation::Residue const &rsd1, conformation::Residue const &rsd2, pose::Pose const &pose, ScoreFunction const &sfxn, EnergyMap &emap) const
 Evaluate the interaction between the sidechain of rsd1 and the sidechain of rsd2 and accumulate the unweighted energies. The sum bb_bb(r1,r2) + bb_sc(r1,r2) + bb_sc(r2,r1) + sc_sc( r1,r2) must equal the unweighted result of a call to residue_pair_energy. By default, bb_bb & bb_sc return 0 and sc_sc returns residue pair energy.
virtual bool defines_intrares_energy (EnergyMap const &weights) const =0
 Two body energies are able to define intra-residue energies, and to do so only in the presence of certain non-zero weights. The ScoreFunction will hand over its weight set as it asks whether the energy method defines an intraresidue energy or not.
virtual void eval_intrares_energy (conformation::Residue const &rsd, pose::Pose const &pose, ScoreFunction const &sfxn, EnergyMap &emap) const =0
 Evaluate the intra-residue energy for a given residue.
virtual bool defines_intrares_energy_for_residue (conformation::Residue const &res) const
 If a score function defines no intra-residue scores for a particular residue, then it may opt-out of being asked during minimization to evaluate the score for this residue.
virtual bool use_extended_intrares_energy_interface () const
 Derived classes wishing to invoke the alternate, extended interface for eval_intrares_energy during minimization routines should return "true" when this function is invoked on them. This class provides a default "return false" implementation so that classes not desiring to take advantage of this alternate interface need to do nothing.
virtual void eval_intrares_energy_ext (conformation::Residue const &rsd, ResSingleMinimizationData const &data_cache, pose::Pose const &pose, ScoreFunction const &sfxn, EnergyMap &emap) const
 Evaluate the intra-residue energy for a given residue using the data held within the ResSingleMinimizationData object. This function should be invoked only on derived instances of this class if they return "true" in a call to their use_extended_intrares_energy_interface method. This base class provides a noop implementation for classes that do not implement this interface, or that do not define intrares energies.
virtual void eval_intrares_derivatives (conformation::Residue const &rsd, ResSingleMinimizationData const &min_data, pose::Pose const &pose, EnergyMap const &weights, utility::vector1< DerivVectorPair > &atom_derivs) const
 Evaluate the derivative for the intra-residue component of this energy method for all the atoms in a residue in the context of a particular pose, and increment the F1 and F2 vectors held in the atom_derivs vector1. This base class provides a default noop implementation of this function. The calling function must guarantee that this EnergyMethod has had the opportunity to update the input ResSingleMinimizationData object for the given residue in a call to prepare_for_minimization before this function is invoked. The calling function must also guarantee that there are at least as many entries in the atom_derivs vector1 as there are atoms in the input rsd.
virtual bool defines_intrares_dof_derivatives (pose::Pose const &p) const
 Use the dof_derivative interface for this energy method when calculating derivatives? It is possible to define both dof_derivatives and atom-derivatives; they are not mutually exclusive.
virtual Real eval_intraresidue_dof_derivative (conformation::Residue const &rsd, ResSingleMinimizationData const &min_data, id::DOF_ID const &dof_id, id::TorsionID const &torsion_id, pose::Pose const &pose, ScoreFunction const &sfxn, EnergyMap const &weights) const
 Evaluate the DOF derivative for a particular residue. The Pose merely serves as context, and the input residue is not required to be a member of the Pose.
virtual void bump_energy_full (conformation::Residue const &, conformation::Residue const &, pose::Pose const &, ScoreFunction const &, EnergyMap &) const
virtual void bump_energy_backbone (conformation::Residue const &, conformation::Residue const &, pose::Pose const &, ScoreFunction const &, EnergyMap &) const
virtual void evaluate_rotamer_intrares_energies (conformation::RotamerSetBase const &set, pose::Pose const &pose, ScoreFunction const &sfxn, utility::vector1< core::PackerEnergy > &energies) const
 Batch computation of rotamer intrares energies. Need not be overriden in derived class -- by default, iterates over all rotamers, and calls derived class's intrares _energy method.
virtual void evaluate_rotamer_intrares_energy_maps (conformation::RotamerSetBase const &set, pose::Pose const &pose, ScoreFunction const &sfxn, utility::vector1< EnergyMap > &emaps) const
 Batch computation of rotamer intrares energy map. Need not be overriden in derived class -- by default, iterates over all rotamers, and calls derived class's intrares _energy method.
virtual void evaluate_rotamer_pair_energies (conformation::RotamerSetBase const &set1, conformation::RotamerSetBase const &set2, pose::Pose const &pose, ScoreFunction const &sfxn, EnergyMap const &weights, ObjexxFCL::FArray2D< core::PackerEnergy > &energy_table) const
 Batch computation of rotamer pair energies. Need not be overriden in derived class -- by default, iterates over all pairs of rotamers, and calls the derived class's residue_pair_energy method.
virtual void evaluate_rotamer_background_energies (conformation::RotamerSetBase const &set, conformation::Residue const &residue, pose::Pose const &pose, ScoreFunction const &sfxn, EnergyMap const &weights, utility::vector1< core::PackerEnergy > &energy_vector) const
 Batch computation of rotamer/background energies. Need not be overriden in derived class -- by default, iterates over all rotamers in the set, and calls derived class's residue_pair_energy method for each one against the background rotamr.
virtual void evaluate_rotamer_background_energy_maps (conformation::RotamerSetBase const &set, conformation::Residue const &residue, pose::Pose const &pose, ScoreFunction const &sfxn, EnergyMap const &weights, utility::vector1< EnergyMap > &emaps) const
 Batch computation of rotamer/background energies. Need not be overriden in derived class -- by default, iterates over all rotamers in the set, and calls derived class's residue_pair_energy method for each one against the background rotamr.

Member Typedef Documentation

Reimplemented from core::scoring::methods::EnergyMethod.

Reimplemented in core::scoring::etable::CoarseEtableEnergy, core::scoring::etable::EtableEnergy, core::scoring::hackelec::HackElecEnergyAroAll, core::scoring::hackelec::HackElecEnergyAroAro, core::scoring::hackelec::RNAHackElecEnergy, core::scoring::methods::CartesianBondedEnergy, core::scoring::methods::CenHBEnergy, core::scoring::methods::CenPairEnergy, core::scoring::methods::ContextDependentLRTwoBodyEnergy, core::scoring::methods::ContextDependentTwoBodyEnergy, core::scoring::methods::ContextIndependentLRTwoBodyEnergy, core::scoring::methods::ContextIndependentTwoBodyEnergy, core::scoring::methods::CustomAtomPairEnergy, core::scoring::methods::dfire::DFIRE_Energy, core::scoring::methods::DNA_BaseEnergy, core::scoring::methods::Fa_MbsolvEnergy, core::scoring::methods::GaussianOverlapEnergy, core::scoring::methods::GenBornEnergy, core::scoring::methods::HybridVDW_Energy, core::scoring::methods::LK_BallEnergy, core::scoring::methods::LK_CosThetaEnergy, core::scoring::methods::LK_hack, core::scoring::methods::LongRangeTwoBodyEnergy, core::scoring::methods::MembraneCenPairEnergy, core::scoring::methods::MMBondAngleEnergy, core::scoring::methods::MMBondLengthEnergy, core::scoring::methods::MMLJEnergyInter, core::scoring::methods::MMLJEnergyIntra, core::scoring::methods::MMTorsionEnergy, core::scoring::methods::PairEnergy, core::scoring::methods::PeptideBondEnergy, core::scoring::methods::PoissonBoltzmannEnergy, core::scoring::methods::ProClosureEnergy, core::scoring::methods::RamachandranEnergy2B, core::scoring::methods::ShortRangeTwoBodyEnergy, core::scoring::methods::SmoothCenPairEnergy, core::scoring::methods::SuckerEnergy, core::scoring::methods::VDW_Energy, core::scoring::methods::WaterAdductHBondEnergy, and protocols::scoring::methods::InterchainPairEnergy.


Constructor & Destructor Documentation

core::scoring::methods::TwoBodyEnergy::TwoBodyEnergy ( EnergyMethodCreatorOP  creator)

Constructor, requiring an EnergyMethodCreator. No default constructor provided to force EnergyMethod writers to provide an energy-method-creator at construction time.

core::scoring::methods::TwoBodyEnergy::~TwoBodyEnergy ( ) [virtual]

Member Function Documentation

void core::scoring::methods::TwoBodyEnergy::backbone_backbone_energy ( conformation::Residue const &  rsd1,
conformation::Residue const &  rsd2,
pose::Pose const &  pose,
ScoreFunction const &  sfxn,
EnergyMap emap 
) const [virtual]
void core::scoring::methods::TwoBodyEnergy::backbone_sidechain_energy ( conformation::Residue const &  rsd1,
conformation::Residue const &  rsd2,
pose::Pose const &  pose,
ScoreFunction const &  sfxn,
EnergyMap emap 
) const [virtual]
void core::scoring::methods::TwoBodyEnergy::bump_energy_backbone ( conformation::Residue const &  ,
conformation::Residue const &  ,
pose::Pose const &  ,
ScoreFunction const &  ,
EnergyMap  
) const [virtual]
void core::scoring::methods::TwoBodyEnergy::bump_energy_full ( conformation::Residue const &  ,
conformation::Residue const &  ,
pose::Pose const &  ,
ScoreFunction const &  ,
EnergyMap  
) const [virtual]
bool core::scoring::methods::TwoBodyEnergy::defines_intrares_dof_derivatives ( pose::Pose const &  p) const [virtual]

Use the dof_derivative interface for this energy method when calculating derivatives? It is possible to define both dof_derivatives and atom-derivatives; they are not mutually exclusive.

Reimplemented in core::scoring::constraints::ConstraintsEnergy.

virtual bool core::scoring::methods::TwoBodyEnergy::defines_intrares_energy ( EnergyMap const &  weights) const [pure virtual]

Two body energies are able to define intra-residue energies, and to do so only in the presence of certain non-zero weights. The ScoreFunction will hand over its weight set as it asks whether the energy method defines an intraresidue energy or not.

For example, the Etable method defines intra-residue energies only when one or more of the fa_intra_{atr,rep,sol} weights are non-zero.

Implemented in core::scoring::carbon_hbonds::CarbonHBondEnergy, core::scoring::constraints::ConstraintsEnergy, core::scoring::custom_pair_distance::FullatomCustomPairDistanceEnergy, core::scoring::disulfides::CentroidDisulfideEnergy, core::scoring::disulfides::DisulfideMatchingEnergy, core::scoring::disulfides::FullatomDisulfideEnergy, core::scoring::electron_density::ElecDensAllAtomCenEnergy, core::scoring::electron_density::ElecDensCenEnergy, core::scoring::electron_density::ElecDensEnergy, core::scoring::electron_density::FastDensEnergy, core::scoring::electron_density::PattersonCorrEnergy, core::scoring::electron_density_atomwise::ElecDensAtomwiseEnergy, core::scoring::etable::CoarseEtableEnergy, core::scoring::etable::EtableEnergy, core::scoring::geometric_solvation::ContextIndependentGeometricSolEnergy, core::scoring::geometric_solvation::GeometricSolEnergy, core::scoring::geometric_solvation::OccludedHbondSolEnergy, core::scoring::hackaro::HackAroEnergy, core::scoring::hackelec::HackElecEnergy, core::scoring::hackelec::HackElecEnergyAroAll, core::scoring::hackelec::HackElecEnergyAroAro, core::scoring::hackelec::RNAHackElecEnergy, core::scoring::hbonds::HBondEnergy, core::scoring::interface::DDPscore, core::scoring::methods::CartesianBondedEnergy, core::scoring::methods::CenHBEnergy, core::scoring::methods::CenPairEnergy, core::scoring::methods::CSD_TorsionEnergy, core::scoring::methods::CustomAtomPairEnergy, core::scoring::methods::dfire::DFIRE_Energy, core::scoring::methods::DNA_BaseEnergy, core::scoring::methods::Fa_MbsolvEnergy, core::scoring::methods::GaussianOverlapEnergy, core::scoring::methods::GenBornEnergy, core::scoring::methods::HybridVDW_Energy, core::scoring::methods::LK_BallEnergy, core::scoring::methods::LK_CosThetaEnergy, core::scoring::methods::LK_hack, core::scoring::methods::MembraneCenPairEnergy, core::scoring::methods::MMBondAngleEnergy, core::scoring::methods::MMBondLengthEnergy, core::scoring::methods::MMLJEnergyInter, core::scoring::methods::MMLJEnergyIntra, core::scoring::methods::MMTorsionEnergy, core::scoring::methods::PairEnergy, core::scoring::methods::PeptideBondEnergy, core::scoring::methods::PoissonBoltzmannEnergy, core::scoring::methods::ProClosureEnergy, core::scoring::methods::PyContextIndependentTwoBodyEnergy, core::scoring::methods::RamachandranEnergy2B, core::scoring::methods::SmoothCenPairEnergy, core::scoring::methods::SuckerEnergy, core::scoring::methods::VDW_Energy, core::scoring::methods::WaterAdductHBondEnergy, core::scoring::orbitals::OrbitalsScore, core::scoring::rna::RNA_DataBackboneEnergy, core::scoring::rna::RNA_FA_Stack, core::scoring::rna::RNA_FullAtomStackingEnergy, core::scoring::rna::RNA_LJ_BaseEnergy, core::scoring::rna::RNA_PairwiseLowResolutionEnergy, core::scoring::rna::RNA_TorsionEnergy, core::scoring::rna::RNA_VDW_Energy, core::scoring::sym_e::symEnergy, and protocols::scoring::methods::InterchainPairEnergy.

bool core::scoring::methods::TwoBodyEnergy::defines_intrares_energy_for_residue ( conformation::Residue const &  res) const [virtual]

If a score function defines no intra-residue scores for a particular residue, then it may opt-out of being asked during minimization to evaluate the score for this residue.

Reimplemented in core::scoring::methods::ProClosureEnergy.

bool core::scoring::methods::TwoBodyEnergy::defines_score_for_residue_pair ( conformation::Residue const &  res1,
conformation::Residue const &  res2,
bool  res_moving_wrt_eachother 
) const [virtual]

During minimization, energy methods are allowed to decide that they say nothing about a particular residue pair (e.g. no non-zero energy) and as a result they will not be queried for a derivative or an energy. The default implementation returns "true" for all residue pairs. Context-dependent two-body energies have the option of behaving as if they are context-independent by returning "false" for residue pairs that do no move wrt each other.

Reimplemented in core::scoring::constraints::ConstraintsEnergy, core::scoring::custom_pair_distance::FullatomCustomPairDistanceEnergy, core::scoring::disulfides::FullatomDisulfideEnergy, core::scoring::geometric_solvation::OccludedHbondSolEnergy, core::scoring::hackelec::HackElecEnergy, core::scoring::hbonds::HBondEnergy, core::scoring::methods::PairEnergy, and core::scoring::methods::ProClosureEnergy.

void core::scoring::methods::TwoBodyEnergy::eval_intrares_derivatives ( conformation::Residue const &  rsd,
ResSingleMinimizationData const &  min_data,
pose::Pose const &  pose,
EnergyMap const &  weights,
utility::vector1< DerivVectorPair > &  atom_derivs 
) const [virtual]

Evaluate the derivative for the intra-residue component of this energy method for all the atoms in a residue in the context of a particular pose, and increment the F1 and F2 vectors held in the atom_derivs vector1. This base class provides a default noop implementation of this function. The calling function must guarantee that this EnergyMethod has had the opportunity to update the input ResSingleMinimizationData object for the given residue in a call to prepare_for_minimization before this function is invoked. The calling function must also guarantee that there are at least as many entries in the atom_derivs vector1 as there are atoms in the input rsd.

Reimplemented in core::scoring::carbon_hbonds::CarbonHBondEnergy, core::scoring::constraints::ConstraintsEnergy, core::scoring::etable::BaseEtableEnergy< Derived >, core::scoring::geometric_solvation::OccludedHbondSolEnergy, core::scoring::hbonds::HBondEnergy, core::scoring::methods::ProClosureEnergy, core::scoring::etable::BaseEtableEnergy< CoarseEtableEnergy >, and core::scoring::etable::BaseEtableEnergy< EtableEnergy >.

virtual void core::scoring::methods::TwoBodyEnergy::eval_intrares_energy ( conformation::Residue const &  rsd,
pose::Pose const &  pose,
ScoreFunction const &  sfxn,
EnergyMap emap 
) const [pure virtual]

Evaluate the intra-residue energy for a given residue.

Implemented in core::scoring::carbon_hbonds::CarbonHBondEnergy, core::scoring::constraints::ConstraintsEnergy, core::scoring::custom_pair_distance::FullatomCustomPairDistanceEnergy, core::scoring::disulfides::CentroidDisulfideEnergy, core::scoring::disulfides::DisulfideMatchingEnergy, core::scoring::disulfides::FullatomDisulfideEnergy, core::scoring::electron_density::ElecDensAllAtomCenEnergy, core::scoring::electron_density::ElecDensCenEnergy, core::scoring::electron_density::ElecDensEnergy, core::scoring::electron_density::FastDensEnergy, core::scoring::electron_density::PattersonCorrEnergy, core::scoring::electron_density_atomwise::ElecDensAtomwiseEnergy, core::scoring::etable::CoarseEtableEnergy, core::scoring::etable::EtableEnergy, core::scoring::geometric_solvation::ContextIndependentGeometricSolEnergy, core::scoring::geometric_solvation::GeometricSolEnergy, core::scoring::geometric_solvation::OccludedHbondSolEnergy, core::scoring::hackaro::HackAroEnergy, core::scoring::hackelec::HackElecEnergy, core::scoring::hackelec::HackElecEnergyAroAll, core::scoring::hackelec::HackElecEnergyAroAro, core::scoring::hackelec::RNAHackElecEnergy, core::scoring::hbonds::HBondEnergy, core::scoring::interface::DDPscore, core::scoring::methods::CartesianBondedEnergy, core::scoring::methods::CenHBEnergy, core::scoring::methods::CenPairEnergy, core::scoring::methods::CSD_TorsionEnergy, core::scoring::methods::CustomAtomPairEnergy, core::scoring::methods::dfire::DFIRE_Energy, core::scoring::methods::DNA_BaseEnergy, core::scoring::methods::Fa_MbsolvEnergy, core::scoring::methods::GaussianOverlapEnergy, core::scoring::methods::GenBornEnergy, core::scoring::methods::HybridVDW_Energy, core::scoring::methods::LK_BallEnergy, core::scoring::methods::LK_CosThetaEnergy, core::scoring::methods::LK_hack, core::scoring::methods::MembraneCenPairEnergy, core::scoring::methods::MMBondAngleEnergy, core::scoring::methods::MMBondLengthEnergy, core::scoring::methods::MMLJEnergyInter, core::scoring::methods::MMLJEnergyIntra, core::scoring::methods::MMTorsionEnergy, core::scoring::methods::PairEnergy, core::scoring::methods::PeptideBondEnergy, core::scoring::methods::PoissonBoltzmannEnergy, core::scoring::methods::ProClosureEnergy, core::scoring::methods::PyContextIndependentTwoBodyEnergy, core::scoring::methods::RamachandranEnergy2B, core::scoring::methods::SmoothCenPairEnergy, core::scoring::methods::SuckerEnergy, core::scoring::methods::VDW_Energy, core::scoring::methods::WaterAdductHBondEnergy, core::scoring::orbitals::OrbitalsScore, core::scoring::rna::RNA_DataBackboneEnergy, core::scoring::rna::RNA_FA_Stack, core::scoring::rna::RNA_FullAtomStackingEnergy, core::scoring::rna::RNA_LJ_BaseEnergy, core::scoring::rna::RNA_PairwiseLowResolutionEnergy, core::scoring::rna::RNA_TorsionEnergy, core::scoring::rna::RNA_VDW_Energy, core::scoring::sym_e::symEnergy, and protocols::scoring::methods::InterchainPairEnergy.

Referenced by evaluate_rotamer_intrares_energies(), and evaluate_rotamer_intrares_energy_maps().

void core::scoring::methods::TwoBodyEnergy::eval_intrares_energy_ext ( conformation::Residue const &  rsd,
ResSingleMinimizationData const &  data_cache,
pose::Pose const &  pose,
ScoreFunction const &  sfxn,
EnergyMap emap 
) const [virtual]

Evaluate the intra-residue energy for a given residue using the data held within the ResSingleMinimizationData object. This function should be invoked only on derived instances of this class if they return "true" in a call to their use_extended_intrares_energy_interface method. This base class provides a noop implementation for classes that do not implement this interface, or that do not define intrares energies.

Reimplemented in core::scoring::constraints::ConstraintsEnergy, core::scoring::etable::BaseEtableEnergy< Derived >, core::scoring::etable::BaseEtableEnergy< CoarseEtableEnergy >, and core::scoring::etable::BaseEtableEnergy< EtableEnergy >.

Real core::scoring::methods::TwoBodyEnergy::eval_intraresidue_dof_derivative ( conformation::Residue const &  rsd,
ResSingleMinimizationData const &  min_data,
id::DOF_ID const &  dof_id,
id::TorsionID const &  torsion_id,
pose::Pose const &  pose,
ScoreFunction const &  sfxn,
EnergyMap const &  weights 
) const [virtual]

Evaluate the DOF derivative for a particular residue. The Pose merely serves as context, and the input residue is not required to be a member of the Pose.

Reimplemented in core::scoring::constraints::ConstraintsEnergy.

void core::scoring::methods::TwoBodyEnergy::eval_residue_pair_derivatives ( conformation::Residue const &  rsd1,
conformation::Residue const &  rsd2,
ResSingleMinimizationData const &  ,
ResSingleMinimizationData const &  ,
ResPairMinimizationData const &  min_data,
pose::Pose const &  pose,
EnergyMap const &  weights,
utility::vector1< DerivVectorPair > &  r1_atom_derivs,
utility::vector1< DerivVectorPair > &  r2_atom_derivs 
) const [virtual]

Evaluate the derivative for an atom in rsd1 with respect to rsd2 in the context of a particular pose, and increment the F1 and F2 vectors. This base class provides a default noop implementation of this function. The calling function must guarantee that this EnergyMethod has had the opportunity to update the input ResPairMinimizationData object for the given residue in a call to prepare_for_minimization before this function is invoked. DEPRECATED. Too slow. Too much overhead for each atom; slowed fast-relax runs by ~40%.

Evaluate the derivatives for all atoms on rsd1 and rsd2 with respect to each other and increment the derivatives in atom-derivatives vector1s. The calling function must guarantee that the r1_atom_derivs vector1 holds at least as many entries as there are atoms in rsd1, and that the r2_atom_derivs vector1 holds at least as many entries as there are atoms in rsd2.

Reimplemented in core::scoring::carbon_hbonds::CarbonHBondEnergy, core::scoring::constraints::ConstraintsEnergy, core::scoring::custom_pair_distance::FullatomCustomPairDistanceEnergy, core::scoring::disulfides::FullatomDisulfideEnergy, core::scoring::etable::BaseEtableEnergy< Derived >, core::scoring::geometric_solvation::OccludedHbondSolEnergy, core::scoring::hackelec::HackElecEnergy, core::scoring::hbonds::HBondEnergy, core::scoring::methods::CenHBEnergy, core::scoring::methods::LK_BallEnergy, core::scoring::methods::PairEnergy, core::scoring::methods::ProClosureEnergy, core::scoring::methods::SmoothCenPairEnergy, core::scoring::orbitals::OrbitalsScore, core::scoring::etable::BaseEtableEnergy< CoarseEtableEnergy >, and core::scoring::etable::BaseEtableEnergy< EtableEnergy >.

void core::scoring::methods::TwoBodyEnergy::evaluate_rotamer_background_energies ( conformation::RotamerSetBase const &  set,
conformation::Residue const &  residue,
pose::Pose const &  pose,
ScoreFunction const &  sfxn,
EnergyMap const &  weights,
utility::vector1< core::PackerEnergy > &  energy_vector 
) const [virtual]
void core::scoring::methods::TwoBodyEnergy::evaluate_rotamer_background_energy_maps ( conformation::RotamerSetBase const &  set,
conformation::Residue const &  residue,
pose::Pose const &  pose,
ScoreFunction const &  sfxn,
EnergyMap const &  weights,
utility::vector1< EnergyMap > &  emaps 
) const [virtual]

Batch computation of rotamer/background energies. Need not be overriden in derived class -- by default, iterates over all rotamers in the set, and calls derived class's residue_pair_energy method for each one against the background rotamr.

Reimplemented in core::scoring::methods::GenBornEnergy, core::scoring::methods::PairEnergy, and core::scoring::methods::ShortRangeTwoBodyEnergy.

References residue_pair_energy(), and core::scoring::EMapVector::zero().

void core::scoring::methods::TwoBodyEnergy::evaluate_rotamer_intrares_energies ( conformation::RotamerSetBase const &  set,
pose::Pose const &  pose,
ScoreFunction const &  sfxn,
utility::vector1< core::PackerEnergy > &  energies 
) const [virtual]

Batch computation of rotamer intrares energies. Need not be overriden in derived class -- by default, iterates over all rotamers, and calls derived class's intrares _energy method.

Reimplemented in core::scoring::methods::GenBornEnergy.

References core::scoring::EMapVector::dot(), eval_intrares_energy(), core::scoring::ScoreFunction::weights(), and core::scoring::EMapVector::zero().

void core::scoring::methods::TwoBodyEnergy::evaluate_rotamer_intrares_energy_maps ( conformation::RotamerSetBase const &  set,
pose::Pose const &  pose,
ScoreFunction const &  sfxn,
utility::vector1< EnergyMap > &  emaps 
) const [virtual]

Batch computation of rotamer intrares energy map. Need not be overriden in derived class -- by default, iterates over all rotamers, and calls derived class's intrares _energy method.

Reimplemented in core::scoring::methods::GenBornEnergy.

References eval_intrares_energy(), and core::scoring::EMapVector::zero().

void core::scoring::methods::TwoBodyEnergy::evaluate_rotamer_pair_energies ( conformation::RotamerSetBase const &  set1,
conformation::RotamerSetBase const &  set2,
pose::Pose const &  pose,
ScoreFunction const &  sfxn,
EnergyMap const &  weights,
ObjexxFCL::FArray2D< core::PackerEnergy > &  energy_table 
) const [virtual]
bool core::scoring::methods::TwoBodyEnergy::requires_a_setup_for_derivatives_for_residue_opportunity ( pose::Pose const &  pose) const [virtual]

Does this EnergyMethod require the opportunity to examine each residue before derivative evaluation begins? Not all energy methods would. The ScoreFunction will not ask energy methods to examine residue pairs that are uninterested in doing so.

Reimplemented in core::scoring::constraints::ConstraintsEnergy, core::scoring::etable::BaseEtableEnergy< Derived >, core::scoring::etable::BaseEtableEnergy< CoarseEtableEnergy >, and core::scoring::etable::BaseEtableEnergy< EtableEnergy >.

bool core::scoring::methods::TwoBodyEnergy::requires_a_setup_for_derivatives_for_residue_pair_opportunity ( pose::Pose const &  pose) const [virtual]

Does this EnergyMethod require the opportunity to examine each residue pair before derivative evaluation begins? Not all energy methods would. The ScoreFunction will not ask energy methods to examine residue pairs that are uninterested in doing so.

Reimplemented in core::scoring::constraints::ConstraintsEnergy, core::scoring::etable::BaseEtableEnergy< Derived >, core::scoring::hbonds::HBondEnergy, core::scoring::etable::BaseEtableEnergy< CoarseEtableEnergy >, and core::scoring::etable::BaseEtableEnergy< EtableEnergy >.

bool core::scoring::methods::TwoBodyEnergy::requires_a_setup_for_scoring_for_residue_opportunity ( pose::Pose const &  pose) const [virtual]

Does this EnergyMethod require the opportunity to examine the residue before scoring begins? Not all energy methods would. The ScoreFunction will not ask energy methods to examine residues that are uninterested in doing so.

Default return-false implementation.

Reimplemented in core::scoring::constraints::ConstraintsEnergy, core::scoring::etable::BaseEtableEnergy< Derived >, core::scoring::etable::BaseEtableEnergy< CoarseEtableEnergy >, and core::scoring::etable::BaseEtableEnergy< EtableEnergy >.

bool core::scoring::methods::TwoBodyEnergy::requires_a_setup_for_scoring_for_residue_pair_opportunity ( pose::Pose const &  pose) const [virtual]

Does this EnergyMethod require the opportunity to examine each residue pair before scoring begins? Not all energy methods would. The ScoreFunction will not ask energy methods to examine residue pairs that are uninterested in doing so.

Default return-false implementation.

Reimplemented in core::scoring::constraints::ConstraintsEnergy, core::scoring::etable::BaseEtableEnergy< Derived >, core::scoring::etable::BaseEtableEnergy< CoarseEtableEnergy >, and core::scoring::etable::BaseEtableEnergy< EtableEnergy >.

virtual void core::scoring::methods::TwoBodyEnergy::residue_pair_energy ( conformation::Residue const &  rsd1,
conformation::Residue const &  rsd2,
pose::Pose const &  pose,
ScoreFunction const &  sfxn,
EnergyMap emap 
) const [pure virtual]

Evaluate the interaction between a given residue pair accumulating the unweighted energies in an EnergyMap.

Implemented in core::scoring::carbon_hbonds::CarbonHBondEnergy, core::scoring::constraints::ConstraintsEnergy, core::scoring::custom_pair_distance::FullatomCustomPairDistanceEnergy, core::scoring::disulfides::CentroidDisulfideEnergy, core::scoring::disulfides::DisulfideMatchingEnergy, core::scoring::disulfides::FullatomDisulfideEnergy, core::scoring::electron_density::ElecDensAllAtomCenEnergy, core::scoring::electron_density::ElecDensCenEnergy, core::scoring::electron_density::ElecDensEnergy, core::scoring::electron_density::FastDensEnergy, core::scoring::electron_density::PattersonCorrEnergy, core::scoring::electron_density_atomwise::ElecDensAtomwiseEnergy, core::scoring::etable::BaseEtableEnergy< Derived >, core::scoring::etable::BaseEtableEnergy< Derived >, core::scoring::geometric_solvation::ContextIndependentGeometricSolEnergy, core::scoring::geometric_solvation::GeometricSolEnergy, core::scoring::geometric_solvation::OccludedHbondSolEnergy, core::scoring::hackaro::HackAroEnergy, core::scoring::hackelec::HackElecEnergy, core::scoring::hackelec::HackElecEnergyAroAll, core::scoring::hackelec::HackElecEnergyAroAro, core::scoring::hackelec::RNAHackElecEnergy, core::scoring::hbonds::HBondEnergy, core::scoring::interface::DDPscore, core::scoring::etable::BaseEtableEnergy< Derived >, core::scoring::methods::CartesianBondedEnergy, core::scoring::methods::CenHBEnergy, core::scoring::methods::CenPairEnergy, core::scoring::methods::CSD_TorsionEnergy, core::scoring::methods::CustomAtomPairEnergy, core::scoring::methods::dfire::DFIRE_Energy, core::scoring::methods::DNA_BaseEnergy, core::scoring::methods::Fa_MbsolvEnergy, core::scoring::methods::GaussianOverlapEnergy, core::scoring::methods::GenBornEnergy, core::scoring::methods::HybridVDW_Energy, core::scoring::methods::LK_BallEnergy, core::scoring::methods::LK_CosThetaEnergy, core::scoring::methods::LK_hack, core::scoring::methods::MembraneCenPairEnergy, core::scoring::methods::MMBondAngleEnergy, core::scoring::methods::MMBondLengthEnergy, core::scoring::methods::MMLJEnergyInter, core::scoring::methods::MMLJEnergyIntra, core::scoring::methods::MMTorsionEnergy, core::scoring::methods::PairEnergy, core::scoring::methods::PeptideBondEnergy, core::scoring::methods::PoissonBoltzmannEnergy, core::scoring::methods::ProClosureEnergy, core::scoring::methods::PyContextIndependentTwoBodyEnergy, core::scoring::methods::RamachandranEnergy2B, core::scoring::methods::SmoothCenPairEnergy, core::scoring::methods::SuckerEnergy, core::scoring::methods::VDW_Energy, core::scoring::methods::WaterAdductHBondEnergy, core::scoring::orbitals::OrbitalsScore, core::scoring::rna::RNA_DataBackboneEnergy, core::scoring::rna::RNA_FA_Stack, core::scoring::rna::RNA_FullAtomStackingEnergy, core::scoring::rna::RNA_LJ_BaseEnergy, core::scoring::rna::RNA_PairwiseLowResolutionEnergy, core::scoring::rna::RNA_TorsionEnergy, core::scoring::rna::RNA_VDW_Energy, core::scoring::sym_e::symEnergy, protocols::scoring::methods::InterchainPairEnergy, core::scoring::etable::BaseEtableEnergy< CoarseEtableEnergy >, core::scoring::etable::BaseEtableEnergy< CoarseEtableEnergy >, core::scoring::etable::BaseEtableEnergy< CoarseEtableEnergy >, core::scoring::etable::BaseEtableEnergy< EtableEnergy >, core::scoring::etable::BaseEtableEnergy< EtableEnergy >, and core::scoring::etable::BaseEtableEnergy< EtableEnergy >.

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

void core::scoring::methods::TwoBodyEnergy::residue_pair_energy_ext ( conformation::Residue const &  rsd1,
conformation::Residue const &  rsd2,
ResPairMinimizationData const &  min_data,
pose::Pose const &  pose,
ScoreFunction const &  sfxn,
EnergyMap emap 
) const [virtual]

Evaluate the two-body energies for a particular residue, in the context of a given Pose, and with the help of a piece of cached data for minimization, increment those two body energies into the input EnergyMap. The calling function must guarantee that this EnergyMethod has had the opportunity to update the input ResPairMinimizationData object for the given residues in a call to setup_for_minimizing_for_residue_pair before this function is invoked. This function should not be called unless the use_extended_residue_pair_energy_interface() method returns "true". Default implementation provided by this base class calls utility::exit().

Reimplemented in core::scoring::constraints::ConstraintsEnergy, core::scoring::custom_pair_distance::FullatomCustomPairDistanceEnergy, core::scoring::disulfides::FullatomDisulfideEnergy, core::scoring::etable::BaseEtableEnergy< Derived >, core::scoring::hackelec::HackElecEnergy, core::scoring::hbonds::HBondEnergy, core::scoring::etable::BaseEtableEnergy< CoarseEtableEnergy >, and core::scoring::etable::BaseEtableEnergy< EtableEnergy >.

void core::scoring::methods::TwoBodyEnergy::setup_for_derivatives_for_residue ( conformation::Residue const &  rsd,
pose::Pose const &  pose,
ScoreFunction const &  sfxn,
ResSingleMinimizationData min_data 
) const [virtual]
void core::scoring::methods::TwoBodyEnergy::setup_for_derivatives_for_residue_pair ( conformation::Residue const &  rsd1,
conformation::Residue const &  rsd2,
ResSingleMinimizationData const &  minsingle_data1,
ResSingleMinimizationData const &  minsingle_data2,
pose::Pose const &  pose,
ScoreFunction const &  sfxn,
ResPairMinimizationData data_cache 
) const [virtual]
void core::scoring::methods::TwoBodyEnergy::setup_for_minimizing_for_residue ( conformation::Residue const &  rsd,
pose::Pose const &  pose,
ScoreFunction const &  sfxn,
kinematics::MinimizerMapBase const &  minmap,
ResSingleMinimizationData res_data_cache 
) const [virtual]

Called at the beginning of minimization, allowing this energy method to cache data pertinent for a single residue in the the ResPairMinimizationData that is used for a particular residue in the context of a particular Pose. This base class provides a noop implementation for this function if there is nothing that the derived class needs to perform in this setup phase.

Reimplemented in core::scoring::constraints::ConstraintsEnergy, core::scoring::etable::BaseEtableEnergy< Derived >, core::scoring::hbonds::HBondEnergy, core::scoring::etable::BaseEtableEnergy< CoarseEtableEnergy >, and core::scoring::etable::BaseEtableEnergy< EtableEnergy >.

void core::scoring::methods::TwoBodyEnergy::setup_for_minimizing_for_residue_pair ( conformation::Residue const &  rsd1,
conformation::Residue const &  rsd2,
pose::Pose const &  pose,
ScoreFunction const &  sfxn,
kinematics::MinimizerMapBase const &  minmap,
ResSingleMinimizationData const &  res1_data_cache,
ResSingleMinimizationData const &  res2_data_cache,
ResPairMinimizationData data_cache 
) const [virtual]

Called at the beginning of minimization, allowing this energy method to cache data pertinent for a single residue in the the ResPairMinimizationData that is used for a particular residue in the context of a particular Pose. This base class provides a noop implementation for this function if there is nothing that the derived class needs to perform in this setup phase.

Reimplemented in core::scoring::constraints::ConstraintsEnergy, core::scoring::custom_pair_distance::FullatomCustomPairDistanceEnergy, core::scoring::disulfides::FullatomDisulfideEnergy, core::scoring::etable::BaseEtableEnergy< Derived >, core::scoring::hackelec::HackElecEnergy, core::scoring::hbonds::HBondEnergy, core::scoring::etable::BaseEtableEnergy< CoarseEtableEnergy >, and core::scoring::etable::BaseEtableEnergy< EtableEnergy >.

void core::scoring::methods::TwoBodyEnergy::setup_for_scoring_for_residue ( conformation::Residue const &  rsd,
pose::Pose const &  pose,
ScoreFunction const &  sfxn,
ResSingleMinimizationData min_data 
) const [virtual]

Do any setup work should the coordinates of this residue (who is still guaranteed to be of the same residue type as when setup_for_minimizing_for_residue was called) have changed so dramatically as to possibly require some amount of setup work before scoring should proceed. This function is used for both intra-residue setup and pre-inter-residue setup.

Reimplemented in core::scoring::constraints::ConstraintsEnergy, core::scoring::etable::BaseEtableEnergy< Derived >, core::scoring::etable::BaseEtableEnergy< CoarseEtableEnergy >, and core::scoring::etable::BaseEtableEnergy< EtableEnergy >.

void core::scoring::methods::TwoBodyEnergy::setup_for_scoring_for_residue_pair ( conformation::Residue const &  rsd1,
conformation::Residue const &  rsd2,
ResSingleMinimizationData const &  minsingle_data1,
ResSingleMinimizationData const &  minsingle_data2,
pose::Pose const &  pose,
ScoreFunction const &  sfxn,
ResPairMinimizationData data_cache 
) const [virtual]

Do any setup work should the coordinates of a pair of residues, who are still guaranteed to be of the same residue type as when setup_for_minimizing_for_residue was called, have changed so dramatically as to possibly require some amount of setup work before scoring should proceed.

Reimplemented in core::scoring::constraints::ConstraintsEnergy, core::scoring::etable::BaseEtableEnergy< Derived >, core::scoring::etable::BaseEtableEnergy< CoarseEtableEnergy >, and core::scoring::etable::BaseEtableEnergy< EtableEnergy >.

void core::scoring::methods::TwoBodyEnergy::sidechain_sidechain_energy ( conformation::Residue const &  rsd1,
conformation::Residue const &  rsd2,
pose::Pose const &  pose,
ScoreFunction const &  sfxn,
EnergyMap emap 
) const [virtual]
bool core::scoring::methods::TwoBodyEnergy::use_extended_intrares_energy_interface ( ) const [virtual]

Derived classes wishing to invoke the alternate, extended interface for eval_intrares_energy during minimization routines should return "true" when this function is invoked on them. This class provides a default "return false" implementation so that classes not desiring to take advantage of this alternate interface need to do nothing.

Reimplemented in core::scoring::constraints::ConstraintsEnergy, core::scoring::etable::BaseEtableEnergy< Derived >, core::scoring::etable::BaseEtableEnergy< CoarseEtableEnergy >, and core::scoring::etable::BaseEtableEnergy< EtableEnergy >.

bool core::scoring::methods::TwoBodyEnergy::use_extended_residue_pair_energy_interface ( ) const [virtual]

Rely on the extended version of the residue_pair_energy function during score-function evaluation in minimization? The extended version (below) takes a ResPairMinimizationData in which the derived base class has (or should have) cached a piece of data that will make residue-pair energy evaluation faster than its absense (e.g. a neighbor list). Derived energy methods should return 'true' from this function to use the extended interface. The default method implemented in this class returns 'false'.

Reimplemented in core::scoring::constraints::ConstraintsEnergy, core::scoring::custom_pair_distance::FullatomCustomPairDistanceEnergy, core::scoring::disulfides::FullatomDisulfideEnergy, core::scoring::etable::BaseEtableEnergy< Derived >, core::scoring::hackelec::HackElecEnergy, core::scoring::hackelec::RNAHackElecEnergy, core::scoring::hbonds::HBondEnergy, core::scoring::etable::BaseEtableEnergy< CoarseEtableEnergy >, and core::scoring::etable::BaseEtableEnergy< EtableEnergy >.


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