Rosetta 3.4
Public Types | Public Member Functions | Static Public Member Functions
core::scoring::ScoringManager Class Reference

#include <ScoringManager.hh>

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List of all members.

Public Types

typedef
core::scoring::mm::MMLJLibrary 
MMLJLibrary
typedef
core::scoring::mm::MMLJEnergyTable 
MMLJEnergyTable
typedef
core::scoring::mm::MMTorsionLibrary 
MMTorsionLibrary
typedef
core::scoring::mm::MMBondAngleLibrary 
MMBondAngleLibrary
typedef
core::scoring::mm::MMBondLengthLibrary 
MMBondLengthLibrary

Public Member Functions

void factory_register (methods::EnergyMethodCreatorOP creator)
PairEPotential const & get_PairEPotential () const
GenBornPotential const & get_GenBornPotential () const
dna::DNA_BasePotential const & get_DNA_BasePotential () const
Ramachandran2B const & get_Ramachandran2B () const
 RotamerLibrary & get_RotamerLibrary() const;.
Ramachandran const & get_Ramachandran () const
OmegaTether const & get_OmegaTether () const
SmoothEnvPairPotential const & get_SmoothEnvPairPotential () const
CenHBPotential const & get_CenHBPotential () const
EnvPairPotential const & get_EnvPairPotential () const
SecondaryStructurePotential const & get_SecondaryStructurePotential () const
AtomVDW const & get_AtomVDW (std::string const &atom_type_set_name) const
rna::RNA_AtomVDW const & get_RNA_AtomVDW () const
geometric_solvation::DatabaseOccSolEne
const & 
get_DatabaseOccSolEne (std::string const &atom_type_set_name, Real const &min_occ_energy) const
carbon_hbonds::CarbonHBondPotential
const & 
get_CarbonHBondPotential () const
rna::RNA_LowResolutionPotential
const & 
get_RNA_LowResolutionPotential () const
rna::RNA_TorsionPotential const & get_RNA_TorsionPotential () const
dna::DirectReadoutPotential const & get_DirectReadoutPotential () const
MMLJLibrary const & get_MMLJLibrary () const
MMLJEnergyTable const & get_MMLJEnergyTable () const
MMTorsionLibrary const & get_MMTorsionLibrary () const
MMBondAngleLibrary const & get_MMBondAngleLibrary () const
MMBondLengthLibrary const & get_MMBondLengthLibrary () const
nv::NVlookup const & get_NVLookupTable () const
core::scoring::orbitals::OrbitalsLookup
const & 
get_OrbitalsLookupTable () const
interface::DDPlookup const & get_DDPLookupTable () const
P_AA const & get_P_AA () const
UnfoldedStatePotential const & get_UnfoldedStatePotential (std::string const &type) const
WaterAdductHBondPotential const & get_WaterAdductHBondPotential () const
MembranePotential const & get_MembranePotential () const
Membrane_FAPotential const & get_Membrane_FAPotential () const
PoissonBoltzmannPotential const & get_PoissonBoltzmannPotential () const
disulfides::FullatomDisulfidePotentialget_FullatomDisulfidePotential () const
disulfides::CentroidDisulfidePotentialget_CentroidDisulfidePotential () const
disulfides::DisulfideMatchingPotentialget_DisulfideMatchingPotential () const
methods::EnergyMethodOP energy_method (ScoreType const &t, methods::EnergyMethodOptions const &options) const
void add_etable (std::string const &name, etable::EtableOP etable)
void add_memb_etable (std::string const &name, etable::MembEtableOP etable)
 pba
etable::MembEtableCAP memb_etable (std::string const &table_id) const
 pba
etable::EtableCAP etable (std::string const &etable_id) const

Static Public Member Functions

static ScoringManagerget_instance ()

Member Typedef Documentation


Member Function Documentation

void core::scoring::ScoringManager::add_etable ( std::string const &  name,
etable::EtableOP  etable 
)
void core::scoring::ScoringManager::add_memb_etable ( std::string const &  name,
etable::MembEtableOP  etable 
)
methods::EnergyMethodOP core::scoring::ScoringManager::energy_method ( ScoreType const &  score_type,
methods::EnergyMethodOptions const &  options 
) const

alot of this was pulled from RotamerLibrary.cc

When a ScoreFunction the weight for a particular ScoreType set from 0 to some non-zero value, it will request an instance of the EnergyMethod class that is responsible for calculating that ScoreType. The ScoringManager responds to that request by asking the EnergyMethodCreator that has claimed responsibility for this ScoreType for a new instance. EnergyMethodCreators must first have registered themselves with the ScoringManager. This should have been done at load time, using a static-variable-initialization function call. See src/core/scoring/etable/EtableEnergy.cc for an example of how the EtableEnergyCreator class registers itself with the ScoringManager.

References core::scoring::n_score_types, and core::scoring::python.

etable::EtableCAP core::scoring::ScoringManager::etable ( std::string const &  etable_id) const
void core::scoring::ScoringManager::factory_register ( methods::EnergyMethodCreatorOP  creator)

The ScoringManager acts as an EnergyMethodFactory. All EnergyMethods must create a helper class, an EnergyMethodCreator class, that will respond to a call to its create_energy_method by returning a new instance of that EnergyMethod its helping. This Creator class must also register itself with the ScoringManager at load time and hand an instance of itself to the singleton ScoringManager instance.

Referenced by core::scoring::methods::PyEnergyMethodRegistrator::PyEnergyMethodRegistrator().

AtomVDW const & core::scoring::ScoringManager::get_AtomVDW ( std::string const &  atom_type_set_name) const
carbon_hbonds::CarbonHBondPotential const & core::scoring::ScoringManager::get_CarbonHBondPotential ( ) const
CenHBPotential const & core::scoring::ScoringManager::get_CenHBPotential ( ) const
disulfides::CentroidDisulfidePotential & core::scoring::ScoringManager::get_CentroidDisulfidePotential ( ) const
geometric_solvation::DatabaseOccSolEne const & core::scoring::ScoringManager::get_DatabaseOccSolEne ( std::string const &  atom_type_set_name,
Real const &  min_occ_energy 
) const
interface::DDPlookup const & core::scoring::ScoringManager::get_DDPLookupTable ( ) const
dna::DirectReadoutPotential const & core::scoring::ScoringManager::get_DirectReadoutPotential ( ) const
disulfides::DisulfideMatchingPotential & core::scoring::ScoringManager::get_DisulfideMatchingPotential ( ) const
dna::DNA_BasePotential const & core::scoring::ScoringManager::get_DNA_BasePotential ( ) const
EnvPairPotential const & core::scoring::ScoringManager::get_EnvPairPotential ( ) const
disulfides::FullatomDisulfidePotential & core::scoring::ScoringManager::get_FullatomDisulfidePotential ( ) const
GenBornPotential const & core::scoring::ScoringManager::get_GenBornPotential ( ) const
ScoringManager * core::scoring::ScoringManager::get_instance ( ) [static]

SAFE singleton initialization; static from within a function ensures proper load-time behavior

Referenced by protocols::match::downstream::ScoringSecMatchRPE::check2bsc(), core::scoring::rna::RNA_LJ_BaseEnergyCreator::create_energy_method(), core::scoring::rna::RNA_FullAtomVDW_BasePhosphateCreator::create_energy_method(), core::scoring::methods::LK_hackCreator::create_energy_method(), core::scoring::methods::LK_CosThetaEnergyCreator::create_energy_method(), core::scoring::methods::Fa_MbsolvEnergyCreator::create_energy_method(), core::scoring::methods::Fa_MbenvEnergyCreator::create_energy_method(), core::scoring::etable::EtableEnergyCreator::create_energy_method(), core::scoring::etable::CoarseEtableEnergyCreator::create_energy_method(), core::scoring::disulfides::FullatomDisulfideEnergyCreator::create_energy_method(), core::scoring::disulfides::DisulfideMatchingEnergyCreator::create_energy_method(), core::scoring::disulfides::CentroidDisulfideEnergyCreator::create_energy_method(), core::optimization::symmetry::SymAtomTreeMultifunc::dump(), core::optimization::CartesianMultifunc::dump(), core::optimization::AtomTreeMultifunc::dump(), protocols::features::HBondFeatures::insert_hbond_lennard_jones_row(), protocols::simple_moves::ShearMover::make_move(), protocols::simple_moves::SmallMover::make_move(), core::scoring::methods::PyEnergyMethodRegistrator::PyEnergyMethodRegistrator(), protocols::toolbox::pose_metric_calculators::ClashCountCalculator::recompute(), protocols::match::output::MatchCollisionFilter::set_filter_by_lj(), core::scoring::ScoreFunction::set_weight(), core::scoring::dna::show_base_pair_params_with_z_scores(), and core::scoring::dna::show_new_base_step_params().

Membrane_FAPotential const & core::scoring::ScoringManager::get_Membrane_FAPotential ( ) const
MembranePotential const & core::scoring::ScoringManager::get_MembranePotential ( ) const
core::scoring::mm::MMBondAngleLibrary const & core::scoring::ScoringManager::get_MMBondAngleLibrary ( ) const
core::scoring::mm::MMBondLengthLibrary const & core::scoring::ScoringManager::get_MMBondLengthLibrary ( ) const
core::scoring::mm::MMLJEnergyTable const & core::scoring::ScoringManager::get_MMLJEnergyTable ( ) const
core::scoring::mm::MMLJLibrary const & core::scoring::ScoringManager::get_MMLJLibrary ( ) const
core::scoring::mm::MMTorsionLibrary const & core::scoring::ScoringManager::get_MMTorsionLibrary ( ) const
nv::NVlookup const & core::scoring::ScoringManager::get_NVLookupTable ( ) const
OmegaTether const & core::scoring::ScoringManager::get_OmegaTether ( ) const
orbitals::OrbitalsLookup const & core::scoring::ScoringManager::get_OrbitalsLookupTable ( ) const
P_AA const & core::scoring::ScoringManager::get_P_AA ( ) const
PairEPotential const & core::scoring::ScoringManager::get_PairEPotential ( ) const
PoissonBoltzmannPotential const & core::scoring::ScoringManager::get_PoissonBoltzmannPotential ( ) const
Ramachandran const & core::scoring::ScoringManager::get_Ramachandran ( ) const
Ramachandran2B const & core::scoring::ScoringManager::get_Ramachandran2B ( ) const

RotamerLibrary & get_RotamerLibrary() const;.

rna::RNA_AtomVDW const & core::scoring::ScoringManager::get_RNA_AtomVDW ( ) const
rna::RNA_LowResolutionPotential const & core::scoring::ScoringManager::get_RNA_LowResolutionPotential ( ) const
rna::RNA_TorsionPotential const & core::scoring::ScoringManager::get_RNA_TorsionPotential ( ) const
SecondaryStructurePotential const & core::scoring::ScoringManager::get_SecondaryStructurePotential ( ) const
SmoothEnvPairPotential const & core::scoring::ScoringManager::get_SmoothEnvPairPotential ( ) const
UnfoldedStatePotential const & core::scoring::ScoringManager::get_UnfoldedStatePotential ( std::string const &  type) const
WaterAdductHBondPotential const & core::scoring::ScoringManager::get_WaterAdductHBondPotential ( ) const
etable::MembEtableCAP core::scoring::ScoringManager::memb_etable ( std::string const &  table_id) const

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