 |
Rosetta Core
2014.16.56682
|
|
Rosetta Core
2014.16.56682
|
The EnergyMethodCreator class's responsibilities are to create on demand a new EnergyMethod class, and to tell the ScoringManager singleton which ScoreTypes the EnergyMethod it creates is responsible for. The EnergyMethodCreator must register itself with the ScoringManager at load time (before main() begins) so that the ScoringManager is ready to start creating EnergyMethods by the time the first ScoreFunction requests one. More...
#include <EnergyMethodCreator.hh>
Public Member Functions | |
| virtual EnergyMethodOP | create_energy_method (methods::EnergyMethodOptions const &options) const =0 |
| Instantiate a new EnergyMethod given a set of energy-method options. More... | |
| virtual ScoreTypes | score_types_for_method () const =0 |
| Return the set of score types claimed by the EnergyMethod this EnergyMethodCreator creates in its create_energy_method() function. More... | |
The EnergyMethodCreator class's responsibilities are to create on demand a new EnergyMethod class, and to tell the ScoringManager singleton which ScoreTypes the EnergyMethod it creates is responsible for. The EnergyMethodCreator must register itself with the ScoringManager at load time (before main() begins) so that the ScoringManager is ready to start creating EnergyMethods by the time the first ScoreFunction requests one.
|
pure virtual |
Instantiate a new EnergyMethod given a set of energy-method options.
Implemented in core::pack::dunbrack::cenrot::CenRotDunEnergyCreator, core::pack::interaction_graph::SurfaceEnergyCreator, core::scoring::elec::FA_ElecEnergyAroAllCreator, core::scoring::methods::CenPairEnergyCreator, core::scoring::methods::CenRotPairEnergyCreator, core::scoring::methods::EnvEnergyCreator, core::scoring::methods::SmoothCenPairEnergyCreator, core::scoring::methods::SmoothEnvEnergyCreator, core::pack::dunbrack::DunbrackEnergyCreator, core::pack::interaction_graph::HPatchEnergyCreator, core::scoring::carbon_hbonds::CarbonHBondEnergyCreator, core::scoring::constraints::ConstraintsEnergyCreator, core::scoring::custom_pair_distance::FullatomCustomPairDistanceEnergyCreator, core::scoring::disulfides::CentroidDisulfideEnergyCreator, core::scoring::disulfides::DisulfideMatchingEnergyCreator, core::scoring::disulfides::FullatomDisulfideEnergyCreator, core::scoring::elec::FA_ElecEnergyAroAroCreator, core::scoring::elec::FA_ElecEnergyCreator, core::scoring::elec::RNA_FA_ElecEnergyCreator, core::scoring::electron_density::ElecDensAllAtomCenEnergyCreator, core::scoring::electron_density::ElecDensCenEnergyCreator, core::scoring::electron_density::ElecDensEnergyCreator, core::scoring::electron_density::FastDensEnergyCreator, core::scoring::electron_density::PattersonCorrEnergyCreator, core::scoring::etable::EtableEnergyCreator, core::scoring::geometric_solvation::ExactOccludedHbondSolEnergyCreator, core::scoring::geometric_solvation::GeometricSolEnergyCreator, core::scoring::geometric_solvation::OccludedHbondSolEnergy_onebodyCreator, core::scoring::geometric_solvation::OccludedHbondSolEnergyCreator, core::scoring::hackaro::HackAroEnergyCreator, core::scoring::hbonds::HBondEnergyCreator, core::scoring::loop_graph::LoopCloseEnergyCreator, core::scoring::methods::BurialEnergyCreator, core::scoring::methods::CartesianBondedEnergyCreator, core::scoring::methods::CenHBEnergyCreator, core::scoring::methods::ChainbreakEnergyCreator, core::scoring::methods::ContactOrderEnergyCreator, core::scoring::methods::CustomAtomPairEnergyCreator, core::scoring::methods::D2H_SA_EnergyCreator, core::scoring::methods::DirectReadoutEnergyCreator, core::scoring::methods::DistanceChainbreakEnergyCreator, core::scoring::methods::EnvSmoothEnergyCreator, core::scoring::methods::Fa_MbenvEnergyCreator, core::scoring::methods::Fa_MbsolvEnergyCreator, core::scoring::methods::FreeMoietyEnergyCreator, core::scoring::methods::GenBornEnergyCreator, core::scoring::methods::HybridVDW_EnergyCreator, core::scoring::methods::IntermolEnergyCreator, core::scoring::methods::LinearChainbreakEnergyCreator, core::scoring::methods::LK_hackCreator, core::scoring::methods::LK_PolarNonPolarEnergyCreator, core::scoring::methods::MembraneCbetaEnergyCreator, core::scoring::methods::MembraneCenPairEnergyCreator, core::scoring::methods::MembraneEnvEnergyCreator, core::scoring::methods::MembraneEnvPenaltiesCreator, core::scoring::methods::MembraneEnvSmoothEnergyCreator, core::scoring::methods::MembraneLipoCreator, core::scoring::methods::MissingEnergyCreator, core::scoring::methods::MMBondAngleEnergyCreator, core::scoring::methods::MMBondLengthEnergyCreator, core::scoring::methods::MMLJEnergyInterCreator, core::scoring::methods::MMLJEnergyIntraCreator, core::scoring::methods::MMTorsionEnergyCreator, core::scoring::methods::NMerPSSMEnergyCreator, core::scoring::methods::NMerRefEnergyCreator, core::scoring::methods::NMerSVMEnergyCreator, core::scoring::methods::OmegaTetherEnergyCreator, core::scoring::methods::OtherPoseEnergyCreator, core::scoring::methods::P_AA_EnergyCreator, core::scoring::methods::P_AA_pp_EnergyCreator, core::scoring::methods::PackStatEnergyCreator, core::scoring::methods::PairEnergyCreator, core::scoring::methods::PeptideBondEnergyCreator, core::scoring::methods::pHEnergyCreator, core::scoring::methods::PoissonBoltzmannEnergyCreator, core::scoring::methods::ProClosureEnergyCreator, core::scoring::methods::ProQ_EnergyCreator, core::scoring::methods::Rama2BOffsetEnergyCreator, core::scoring::methods::RamachandranEnergy2BCreator, core::scoring::methods::RamachandranEnergyCreator, core::scoring::methods::ReferenceEnergyCreator, core::scoring::methods::ReferenceEnergyNoncanonicalCreator, core::scoring::methods::ResidualDipolarCouplingEnergy_RohlCreator, core::scoring::methods::ResidualDipolarCouplingEnergyCreator, core::scoring::methods::RG_Energy_FastCreator, core::scoring::methods::RG_LocalEnergyCreator, core::scoring::methods::RMS_EnergyCreator, core::scoring::methods::SA_EnergyCreator, core::scoring::methods::SecondaryStructureEnergyCreator, core::scoring::methods::SequenceDependentRefEnergyCreator, core::scoring::methods::SuckerEnergyCreator, core::scoring::methods::SymmetricLigandEnergyCreator, core::scoring::methods::UnfoldedStateEnergyCreator, core::scoring::methods::WaterAdductHBondEnergyCreator, core::scoring::methods::WaterAdductIntraEnergyCreator, core::scoring::methods::YHHPlanarityEnergyCreator, core::scoring::nv::NVscoreCreator, core::scoring::orbitals::OrbitalsScoreCreator, core::scoring::packing::HolesEnergyCreator, core::scoring::packing::SurfEnergyCreator, core::scoring::packing::SurfVolEnergyCreator, core::scoring::rna::RG_Energy_RNACreator, core::scoring::rna::RNA_BulgeEnergyCreator, core::scoring::rna::RNA_DataBackboneEnergyCreator, core::scoring::rna::RNA_FullAtomStackingEnergyCreator, core::scoring::rna::RNA_LJ_BaseEnergyCreator, core::scoring::rna::RNA_Mg_EnergyCreator, core::scoring::rna::RNA_PairwiseLowResolutionEnergyCreator, core::scoring::rna::RNA_TorsionEnergyCreator, core::scoring::rna::RNA_VDW_EnergyCreator, core::scoring::vdwaals::VDW_EnergyCreator, core::scoring::methods::CenRotEnvEnergyCreator, core::scoring::methods::ChemicalShiftAnisotropyEnergyCreator, core::scoring::methods::dfire::DFIRE_EnergyCreator, core::scoring::methods::DipolarCouplingEnergyCreator, core::scoring::methods::DNA_BaseEnergyCreator, core::scoring::methods::FreeResidueBonusEnergyCreator, core::scoring::rna::StackElecEnergyCreator, core::scoring::saxs::FastSAXSEnergyCreator, core::scoring::saxs::SAXSEnergyCreator, core::scoring::saxs::SAXSEnergyCreatorCEN, core::scoring::saxs::SAXSEnergyCreatorFA, core::scoring::etable::CoarseEtableEnergyCreator, core::scoring::interface_::DDPscoreCreator, core::scoring::methods::GaussianOverlapEnergyCreator, core::scoring::methods::LK_BallEnergyCreator, core::scoring::rna::RNA_SugarCloseEnergyCreator, core::scoring::sym_e::symECreator, core::scoring::rna::chemical_shift::RNA_ChemicalShiftEnergyCreator, core::scoring::cryst::XtalMLEnergyCreator, core::scoring::methods::FACTSEnergyCreator, core::scoring::methods::GoapEnergyCreator, core::scoring::rna::RNA_FullAtomVDW_BasePhosphateCreator, core::scoring::dna::DNAChiEnergyCreator, core::scoring::dna::DNATorsionEnergyCreator, core::scoring::geometric_solvation::ContextIndependentGeometricSolEnergyCreator, and core::scoring::electron_density_atomwise::ElecDensAtomwiseEnergyCreator.
|
pure virtual |
Return the set of score types claimed by the EnergyMethod this EnergyMethodCreator creates in its create_energy_method() function.
Implemented in core::scoring::elec::FA_ElecEnergyAroAllCreator, core::scoring::methods::CenPairEnergyCreator, core::scoring::methods::CenRotPairEnergyCreator, core::scoring::methods::EnvEnergyCreator, core::scoring::methods::SmoothCenPairEnergyCreator, core::scoring::methods::SmoothEnvEnergyCreator, core::pack::dunbrack::DunbrackEnergyCreator, core::scoring::carbon_hbonds::CarbonHBondEnergyCreator, core::scoring::constraints::ConstraintsEnergyCreator, core::scoring::custom_pair_distance::FullatomCustomPairDistanceEnergyCreator, core::scoring::disulfides::CentroidDisulfideEnergyCreator, core::scoring::disulfides::DisulfideMatchingEnergyCreator, core::scoring::disulfides::FullatomDisulfideEnergyCreator, core::scoring::elec::FA_ElecEnergyAroAroCreator, core::scoring::elec::FA_ElecEnergyCreator, core::scoring::elec::RNA_FA_ElecEnergyCreator, core::scoring::electron_density::ElecDensAllAtomCenEnergyCreator, core::scoring::electron_density::ElecDensCenEnergyCreator, core::scoring::electron_density::ElecDensEnergyCreator, core::scoring::electron_density::FastDensEnergyCreator, core::scoring::electron_density::PattersonCorrEnergyCreator, core::scoring::etable::EtableEnergyCreator, core::scoring::geometric_solvation::ExactOccludedHbondSolEnergyCreator, core::scoring::geometric_solvation::GeometricSolEnergyCreator, core::scoring::geometric_solvation::OccludedHbondSolEnergy_onebodyCreator, core::scoring::geometric_solvation::OccludedHbondSolEnergyCreator, core::scoring::hackaro::HackAroEnergyCreator, core::scoring::hbonds::HBondEnergyCreator, core::scoring::loop_graph::LoopCloseEnergyCreator, core::scoring::methods::BurialEnergyCreator, core::scoring::methods::CartesianBondedEnergyCreator, core::scoring::methods::CenHBEnergyCreator, core::scoring::methods::ChainbreakEnergyCreator, core::scoring::methods::ContactOrderEnergyCreator, core::scoring::methods::CustomAtomPairEnergyCreator, core::scoring::methods::D2H_SA_EnergyCreator, core::scoring::methods::DirectReadoutEnergyCreator, core::scoring::methods::DistanceChainbreakEnergyCreator, core::scoring::methods::EnvSmoothEnergyCreator, core::scoring::methods::Fa_MbenvEnergyCreator, core::scoring::methods::Fa_MbsolvEnergyCreator, core::scoring::methods::FreeMoietyEnergyCreator, core::scoring::methods::GenBornEnergyCreator, core::scoring::methods::HybridVDW_EnergyCreator, core::scoring::methods::IntermolEnergyCreator, core::scoring::methods::LinearChainbreakEnergyCreator, core::scoring::methods::LK_hackCreator, core::scoring::methods::LK_PolarNonPolarEnergyCreator, core::scoring::methods::MembraneCbetaEnergyCreator, core::scoring::methods::MembraneCenPairEnergyCreator, core::scoring::methods::MembraneEnvEnergyCreator, core::scoring::methods::MembraneEnvPenaltiesCreator, core::scoring::methods::MembraneEnvSmoothEnergyCreator, core::scoring::methods::MembraneLipoCreator, core::scoring::methods::MissingEnergyCreator, core::scoring::methods::MMBondAngleEnergyCreator, core::scoring::methods::MMBondLengthEnergyCreator, core::scoring::methods::MMLJEnergyInterCreator, core::scoring::methods::MMLJEnergyIntraCreator, core::scoring::methods::MMTorsionEnergyCreator, core::scoring::methods::NMerPSSMEnergyCreator, core::scoring::methods::NMerRefEnergyCreator, core::scoring::methods::NMerSVMEnergyCreator, core::scoring::methods::OmegaTetherEnergyCreator, core::scoring::methods::OtherPoseEnergyCreator, core::scoring::methods::P_AA_EnergyCreator, core::scoring::methods::P_AA_pp_EnergyCreator, core::scoring::methods::PackStatEnergyCreator, core::scoring::methods::PairEnergyCreator, core::scoring::methods::PeptideBondEnergyCreator, core::scoring::methods::pHEnergyCreator, core::scoring::methods::PoissonBoltzmannEnergyCreator, core::scoring::methods::ProClosureEnergyCreator, core::scoring::methods::ProQ_EnergyCreator, core::scoring::methods::Rama2BOffsetEnergyCreator, core::scoring::methods::RamachandranEnergy2BCreator, core::scoring::methods::RamachandranEnergyCreator, core::scoring::methods::ReferenceEnergyCreator, core::scoring::methods::ReferenceEnergyNoncanonicalCreator, core::scoring::methods::ResidualDipolarCouplingEnergy_RohlCreator, core::scoring::methods::ResidualDipolarCouplingEnergyCreator, core::scoring::methods::RG_Energy_FastCreator, core::scoring::methods::RG_LocalEnergyCreator, core::scoring::methods::RMS_EnergyCreator, core::scoring::methods::SA_EnergyCreator, core::scoring::methods::SecondaryStructureEnergyCreator, core::scoring::methods::SequenceDependentRefEnergyCreator, core::scoring::methods::SuckerEnergyCreator, core::scoring::methods::SymmetricLigandEnergyCreator, core::scoring::methods::UnfoldedStateEnergyCreator, core::scoring::methods::WaterAdductHBondEnergyCreator, core::scoring::methods::WaterAdductIntraEnergyCreator, core::scoring::methods::YHHPlanarityEnergyCreator, core::scoring::nv::NVscoreCreator, core::scoring::orbitals::OrbitalsScoreCreator, core::scoring::packing::HolesEnergyCreator, core::scoring::packing::SurfEnergyCreator, core::scoring::packing::SurfVolEnergyCreator, core::scoring::rna::RG_Energy_RNACreator, core::scoring::rna::RNA_BulgeEnergyCreator, core::scoring::rna::RNA_DataBackboneEnergyCreator, core::scoring::rna::RNA_FullAtomStackingEnergyCreator, core::scoring::rna::RNA_LJ_BaseEnergyCreator, core::scoring::rna::RNA_Mg_EnergyCreator, core::scoring::rna::RNA_PairwiseLowResolutionEnergyCreator, core::scoring::rna::RNA_TorsionEnergyCreator, core::scoring::rna::RNA_VDW_EnergyCreator, core::scoring::vdwaals::VDW_EnergyCreator, core::pack::dunbrack::cenrot::CenRotDunEnergyCreator, core::scoring::methods::CenRotEnvEnergyCreator, core::scoring::methods::ChemicalShiftAnisotropyEnergyCreator, core::scoring::methods::dfire::DFIRE_EnergyCreator, core::scoring::methods::DipolarCouplingEnergyCreator, core::scoring::methods::DNA_BaseEnergyCreator, core::scoring::methods::FreeResidueBonusEnergyCreator, core::pack::interaction_graph::SurfaceEnergyCreator, core::scoring::rna::StackElecEnergyCreator, core::pack::interaction_graph::HPatchEnergyCreator, core::scoring::etable::CoarseEtableEnergyCreator, core::scoring::interface_::DDPscoreCreator, core::scoring::methods::GaussianOverlapEnergyCreator, core::scoring::methods::LK_BallEnergyCreator, core::scoring::rna::RNA_SugarCloseEnergyCreator, core::scoring::sym_e::symECreator, core::scoring::rna::chemical_shift::RNA_ChemicalShiftEnergyCreator, core::scoring::methods::FACTSEnergyCreator, core::scoring::methods::GoapEnergyCreator, core::scoring::rna::RNA_FullAtomVDW_BasePhosphateCreator, core::scoring::dna::DNAChiEnergyCreator, core::scoring::dna::DNATorsionEnergyCreator, core::scoring::geometric_solvation::ContextIndependentGeometricSolEnergyCreator, core::scoring::saxs::FastSAXSEnergyCreator, core::scoring::saxs::SAXSEnergyCreator, core::scoring::saxs::SAXSEnergyCreatorCEN, core::scoring::saxs::SAXSEnergyCreatorFA, core::scoring::electron_density_atomwise::ElecDensAtomwiseEnergyCreator, and core::scoring::cryst::XtalMLEnergyCreator.
1.8.7