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Rosetta Protocols
2014.16.56682
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#include <Filter.hh>
Public Member Functions | |
| Filter () | |
| Filter (std::string const &) | |
| Filter (Filter const &) | |
| virtual | ~Filter () |
| virtual void | report (std::ostream &, core::pose::Pose const &) const |
| virtual core::Real | report_sm (core::pose::Pose const &) const |
| used to report filter internals through a score or silent file More... | |
| virtual std::string | get_type () const |
| std::string | get_user_defined_name () const |
| void | set_user_defined_name (std::string const &name) |
| virtual void | clear () |
| used to clear internal variables if needed. Using fresh_instance is preferred since it's a pure virtual More... | |
| virtual void | parse_my_tag (utility::tag::TagCOP, basic::datacache::DataMap &, Filters_map const &, moves::Movers_map const &, core::pose::Pose const &) |
| virtual FilterOP | clone () const =0 |
| virtual FilterOP | fresh_instance () const =0 |
| virtual bool | apply (core::pose::Pose const &pose) const =0 |
| Returns true if the given pose passes the filter, false otherwise. More... | |
| virtual void | apply (core::io::serialization::PipeMap &pmap) |
| virtual void | score (core::io::serialization::PipeMap &pmap) |
| virtual core::Real | score (core::pose::Pose &pose) |
| virtual void | parse_def (utility::lua::LuaObject const &def, utility::lua::LuaObject const &score_fxns, utility::lua::LuaObject const &tasks) |
| virtual std::string | name () const |
Protected Attributes | |
| std::string | scorename_ |
Private Attributes | |
| std::string const | type_ |
| std::string | user_defined_name_ |
| protocols::filters::Filter::Filter | ( | ) |
| protocols::filters::Filter::Filter | ( | std::string const & | type | ) |
| protocols::filters::Filter::Filter | ( | Filter const & | init | ) |
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virtual |
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pure virtual |
Returns true if the given pose passes the filter, false otherwise.
Implemented in protocols::enzdes::ResidueConformerFilter, protocols::enzdes::EnzdesScorefileFilter, protocols::enzdes::RepackWithoutLigandFilter, protocols::enzdes::DiffAtomSasaFilter, protocols::filters::IfThenFilter, protocols::enzdes::EnzScoreFilter, protocols::filters::MoveBeforeFilter, protocols::fldsgn::filters::HSSTripletFilter, protocols::fldsgn::filters::HelixPairingFilter, protocols::filters::CombinedFilter, protocols::fldsgn::filters::SheetTopologyFilter, protocols::fldsgn::filters::InterlockingAromaFilter, protocols::simple_filters::PackerNeighborGraphFilter, protocols::enzdes::LigInterfaceEnergyFilter, protocols::fldsgn::filters::CoreDunbrackFilter, protocols::fldsgn::filters::ParallelBetaPairingPreferenceFilter, protocols::fldsgn::filters::FragQualFilter, protocols::fldsgn::filters::NcontactsFilter, protocols::fldsgn::filters::SecondaryStructureFilter, protocols::simple_filters::HolesFilter, protocols::simple_filters::PackStatFilter, protocols::simple_filters::RangeFilter, protocols::simple_filters::ShapeComplementarityFilter, protocols::fldsgn::filters::HelixKinkFilter, protocols::fldsgn::filters::SecondaryStructureCountFilter, protocols::filters::CompoundFilter, protocols::simple_filters::DomainInterfaceFilter, protocols::enzdes::LigBurialFilter, protocols::simple_filters::BuriedRegionsFilter, protocols::docking::DockingHighResFilter, protocols::simple_filters::ConstraintScoreCutoffFilter, protocols::protein_interface_design::filters::DisulfideFilter, protocols::simple_filters::ScoreCutoffFilter, protocols::simple_filters::SheetFilter, protocols::denovo_design::filters::ExposedHydrophobicsFilter, protocols::simple_filters::ConservedPosMutationFilter, protocols::filters::StochasticFilter, protocols::protein_interface_design::filters::HbondsToAtomFilter, protocols::protein_interface_design::filters::HbondsToResidueFilter, protocols::protein_interface_design::filters::AtomicContactCountFilter, protocols::protein_interface_design::filters::SpecificResiduesNearInterfaceFilter, protocols::simple_filters::COFilter, protocols::simple_filters::RGFilter, protocols::enzdes::LigDSasaFilter, protocols::ligand_docking::AtomCountFilter, protocols::ligand_docking::HBondAcceptorFilter, protocols::ligand_docking::HeavyAtomFilter, protocols::ligand_docking::MolarMassFilter, protocols::ligand_docking::MolecularMassFilter, protocols::enzdes::RemoveLigandFilter, protocols::ligand_docking::HBondDonorFilter, protocols::simple_filters::AbinitioBaseFilter, protocols::simple_filters::InterfaceBindingEnergyDensityFilter, protocols::filters::FalseFilter, protocols::ligand_docking::ChainExistsFilter, protocols::simple_filters::SymmetricMotifFilter, protocols::docking::DockingLowResFilter, protocols::ligand_docking::CompleteConnectionsFilter, protocols::simple_filters::AveragePathLengthFilter, protocols::simple_filters::DisulfideEntropyFilter, protocols::protein_interface_design::filters::FilterScanFilter, protocols::simple_filters::DdgFilter, protocols::filters::HeavyAtomFilter, protocols::protein_interface_design::filters::StubScoreFilter, protocols::protein_interface_design::filters::StubScoreFilter, protocols::simple_filters::PDDFScoreFilter, protocols::simple_filters::SAXSScoreFilter, protocols::filters::TrueFilter, protocols::filters::ContingentFilter, protocols::protein_interface_design::filters::FNatFilter, protocols::protein_interface_design::filters::IRmsdFilter, protocols::simple_filters::ResidueCountFilter, protocols::simple_filters::ResidueSetChainEnergyFilter, protocols::simple_filters::RotamerBoltzmannWeight, protocols::protein_interface_design::filters::BindingStrainFilter, protocols::protein_interface_design::filters::DesignableResiduesFilter, protocols::protein_interface_design::filters::LRmsdFilter, protocols::protein_interface_design::filters::AverageDegreeFilter, protocols::protein_interface_design::filters::SequenceRecoveryFilter, protocols::simple_filters::AtomicContactFilter, protocols::simple_filters::MultipleSigmoids, protocols::simple_filters::Sigmoid, protocols::filters::CalculatorFilter, protocols::protein_interface_design::filters::Torsion, protocols::simple_filters::AtomicDistanceFilter, protocols::simple_filters::NMerPSSMEnergyFilter, protocols::simple_filters::NMerSVMEnergyFilter, protocols::simple_filters::RelativePoseFilter, protocols::simple_filters::ScoreTypeFilter, protocols::protein_interface_design::filters::BoltzmannFilter, protocols::protein_interface_design::filters::RelativeSegmentFilter, protocols::protein_interface_design::filters::RmsdFilter, protocols::simple_filters::AlaScan, protocols::simple_filters::NetChargeFilter, protocols::simple_filters::Operator, protocols::simple_filters::ResidueIEFilter, protocols::simple_filters::TerminusDistanceFilter, protocols::simple_filters::GeometryFilter, protocols::simple_filters::PoseComment, protocols::filters::TimeFilter, protocols::simple_filters::DeltaFilter, protocols::simple_filters::NeighborTypeFilter, protocols::protein_interface_design::filters::InterfaceHolesFilter, protocols::simple_filters::BuriedUnsatHbondFilter, protocols::simple_filters::EnergyPerResidueFilter, protocols::simple_filters::ReportFilter, protocols::simple_filters::ExpiryFilter, protocols::simple_filters::FileExistFilter, protocols::simple_filters::FileRemoveFilter, protocols::simple_filters::InterfaceSasaFilter, protocols::simple_filters::ResiduesInInterfaceFilter, protocols::filters::ReplicateFilter, protocols::protein_interface_design::filters::ClashWithTargetFilter, protocols::simple_filters::NonSequentialNeighborsFilter, protocols::simple_filters::PoseInfoFilter, protocols::simple_filters::ResidueDistanceFilter, protocols::simple_filters::SavePoseConstraintToFileFilter, protocols::simple_filters::TotalSasaFilter, protocols::simple_filters::SidechainRmsdFilter, and protocols::simple_filters::ResidueBurialFilter.
Referenced by protocols::loophash::LoopHashMoverWrapper::apply(), protocols::protein_interface_design::filters::SequenceRecoveryFilter::apply(), protocols::protein_interface_design::movers::LoopOver::apply(), protocols::protein_interface_design::filters::FilterScanFilter::apply(), protocols::moves::IfMover::apply(), protocols::moves::FilterMover::apply(), protocols::loophash::LoopHashDiversifier::apply(), protocols::protein_interface_design::movers::TryRotamers::apply(), apply(), and protocols::simple_filters::RangeFilter::report().
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virtual |
Reimplemented in protocols::protein_interface_design::filters::SequenceRecoveryFilter.
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inlinevirtual |
used to clear internal variables if needed. Using fresh_instance is preferred since it's a pure virtual
Reimplemented in protocols::filters::CompoundFilter, and protocols::simple_filters::NeighborTypeFilter.
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pure virtual |
Implemented in protocols::enzdes::ResidueConformerFilter, protocols::enzdes::EnzdesScorefileFilter, protocols::enzdes::RepackWithoutLigandFilter, protocols::enzdes::DiffAtomSasaFilter, protocols::filters::IfThenFilter, protocols::enzdes::EnzScoreFilter, protocols::filters::MoveBeforeFilter, protocols::filters::CombinedFilter, protocols::enzdes::LigInterfaceEnergyFilter, protocols::simple_filters::PackerNeighborGraphFilter, protocols::filters::CompoundFilter, protocols::fldsgn::filters::HelixPairingFilter, protocols::fldsgn::filters::HSSTripletFilter, protocols::enzdes::LigBurialFilter, protocols::fldsgn::filters::SheetTopologyFilter, protocols::fldsgn::filters::NcontactsFilter, protocols::simple_filters::DomainInterfaceFilter, protocols::fldsgn::filters::CoreDunbrackFilter, protocols::fldsgn::filters::InterlockingAromaFilter, protocols::fldsgn::filters::ParallelBetaPairingPreferenceFilter, protocols::fldsgn::filters::HelixKinkFilter, protocols::docking::DockingHighResFilter, protocols::fldsgn::filters::FragQualFilter, protocols::simple_filters::HolesFilter, protocols::simple_filters::RangeFilter, protocols::simple_filters::PackStatFilter, protocols::fldsgn::filters::SecondaryStructureFilter, protocols::protein_interface_design::filters::DisulfideFilter, protocols::simple_filters::BuriedRegionsFilter, protocols::simple_filters::ShapeComplementarityFilter, protocols::simple_filters::SymmetricMotifFilter, protocols::fldsgn::filters::SecondaryStructureCountFilter, protocols::denovo_design::filters::ExposedHydrophobicsFilter, protocols::enzdes::RemoveLigandFilter, protocols::filters::StochasticFilter, protocols::protein_interface_design::filters::HbondsToAtomFilter, protocols::protein_interface_design::filters::HbondsToResidueFilter, protocols::protein_interface_design::filters::SpecificResiduesNearInterfaceFilter, protocols::simple_filters::SheetFilter, protocols::enzdes::LigDSasaFilter, protocols::simple_filters::InterfaceBindingEnergyDensityFilter, protocols::ligand_docking::AtomCountFilter, protocols::ligand_docking::HBondAcceptorFilter, protocols::ligand_docking::HeavyAtomFilter, protocols::ligand_docking::MolarMassFilter, protocols::ligand_docking::MolecularMassFilter, protocols::ligand_docking::HBondDonorFilter, protocols::simple_filters::ConservedPosMutationFilter, protocols::filters::FalseFilter, protocols::ligand_docking::ChainExistsFilter, protocols::simple_filters::AveragePathLengthFilter, protocols::simple_filters::ConstraintScoreCutoffFilter, protocols::simple_filters::DisulfideEntropyFilter, protocols::simple_filters::ScoreCutoffFilter, protocols::docking::DockingLowResFilter, protocols::ligand_docking::CompleteConnectionsFilter, protocols::protein_interface_design::filters::FilterScanFilter, protocols::protein_interface_design::filters::StubScoreLoopsFilter, protocols::protein_interface_design::filters::StubScoreFilter, protocols::protein_interface_design::filters::StubScoreFilter, protocols::simple_filters::ResidueCountFilter, protocols::simple_filters::DdgFilter, protocols::filters::ContingentFilter, protocols::filters::HeavyAtomFilter, protocols::simple_filters::AbinitioBaseFilter, protocols::simple_filters::COFilter, protocols::simple_filters::RGFilter, protocols::simple_filters::RotamerBoltzmannWeight, protocols::filters::CalculatorFilter, protocols::protein_interface_design::filters::BindingStrainFilter, protocols::protein_interface_design::filters::DesignableResiduesFilter, protocols::protein_interface_design::filters::SequenceRecoveryFilter, protocols::simple_filters::AtomicContactFilter, protocols::filters::TrueFilter, protocols::protein_interface_design::filters::AverageDegreeFilter, protocols::protein_interface_design::filters::FNatFilter, protocols::protein_interface_design::filters::IRmsdFilter, protocols::simple_filters::AtomicDistanceFilter, protocols::simple_filters::ResidueSetChainEnergyFilter, protocols::protein_interface_design::filters::LRmsdFilter, protocols::protein_interface_design::filters::Torsion, protocols::simple_filters::NetChargeFilter, protocols::simple_filters::RelativePoseFilter, protocols::simple_filters::TerminusDistanceFilter, protocols::protein_interface_design::filters::BoltzmannFilter, protocols::simple_filters::GeometryFilter, protocols::filters::TimeFilter, protocols::protein_interface_design::filters::AtomicContactCountFilter, protocols::simple_filters::NeighborTypeFilter, protocols::simple_filters::NMerPSSMEnergyFilter, protocols::simple_filters::NMerSVMEnergyFilter, protocols::simple_filters::ScoreTypeFilter, protocols::protein_interface_design::filters::RelativeSegmentFilter, protocols::protein_interface_design::filters::RmsdFilter, protocols::simple_filters::AlaScan, protocols::simple_filters::DeltaFilter, protocols::simple_filters::ResidueIEFilter, protocols::simple_filters::TotalSasaFilter, protocols::simple_filters::BuriedUnsatHbondFilter, protocols::simple_filters::MultipleSigmoids, protocols::filters::ReplicateFilter, protocols::simple_filters::InterfaceSasaFilter, protocols::protein_interface_design::filters::InterfaceHolesFilter, protocols::simple_filters::PoseInfoFilter, protocols::simple_filters::ResidueDistanceFilter, protocols::simple_filters::SavePoseConstraintToFileFilter, protocols::simple_filters::EnergyPerResidueFilter, protocols::simple_filters::ReportFilter, protocols::simple_filters::SidechainRmsdFilter, protocols::simple_filters::ExpiryFilter, protocols::simple_filters::FileExistFilter, protocols::simple_filters::FileRemoveFilter, protocols::simple_filters::PDDFScoreFilter, protocols::simple_filters::ResidueBurialFilter, protocols::simple_filters::ResiduesInInterfaceFilter, protocols::simple_filters::SAXSScoreFilter, protocols::protein_interface_design::filters::ClashWithTargetFilter, protocols::simple_filters::NonSequentialNeighborsFilter, protocols::simple_filters::Sigmoid, protocols::simple_filters::Operator, and protocols::simple_filters::PoseComment.
Referenced by protocols::protein_interface_design::movers::PlaceStubMover::apply(), protocols::filters::FilterFactory::newFilter(), protocols::seeded_abinitio::PlaceFragments::parse_my_tag(), protocols::protein_interface_design::movers::HotspotHasherMover::parse_my_tag(), protocols::protein_interface_design::movers::LoopOver::parse_my_tag(), protocols::protein_interface_design::movers::TryRotamers::parse_my_tag(), protocols::protein_interface_design::movers::PlaceStubMover::parse_my_tag(), protocols::filters::CombinedFilter::parse_my_tag(), and protocols::protein_interface_design::movers::PlaceStubMover::PlaceStubMover().
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pure virtual |
Implemented in protocols::enzdes::ResidueConformerFilter, protocols::enzdes::EnzdesScorefileFilter, protocols::enzdes::RepackWithoutLigandFilter, protocols::enzdes::DiffAtomSasaFilter, protocols::filters::IfThenFilter, protocols::enzdes::EnzScoreFilter, protocols::filters::MoveBeforeFilter, protocols::filters::CombinedFilter, protocols::enzdes::LigInterfaceEnergyFilter, protocols::simple_filters::PackerNeighborGraphFilter, protocols::filters::CompoundFilter, protocols::fldsgn::filters::HelixPairingFilter, protocols::fldsgn::filters::HSSTripletFilter, protocols::enzdes::LigBurialFilter, protocols::fldsgn::filters::SheetTopologyFilter, protocols::fldsgn::filters::NcontactsFilter, protocols::fldsgn::filters::CoreDunbrackFilter, protocols::fldsgn::filters::InterlockingAromaFilter, protocols::fldsgn::filters::ParallelBetaPairingPreferenceFilter, protocols::simple_filters::DomainInterfaceFilter, protocols::fldsgn::filters::HelixKinkFilter, protocols::fldsgn::filters::FragQualFilter, protocols::simple_filters::HolesFilter, protocols::simple_filters::RangeFilter, protocols::docking::DockingHighResFilter, protocols::simple_filters::PackStatFilter, protocols::fldsgn::filters::SecondaryStructureFilter, protocols::protein_interface_design::filters::DisulfideFilter, protocols::simple_filters::BuriedRegionsFilter, protocols::simple_filters::ShapeComplementarityFilter, protocols::simple_filters::SymmetricMotifFilter, protocols::fldsgn::filters::SecondaryStructureCountFilter, protocols::denovo_design::filters::ExposedHydrophobicsFilter, protocols::enzdes::RemoveLigandFilter, protocols::filters::StochasticFilter, protocols::protein_interface_design::filters::HbondsToAtomFilter, protocols::protein_interface_design::filters::HbondsToResidueFilter, protocols::simple_filters::SheetFilter, protocols::enzdes::LigDSasaFilter, protocols::protein_interface_design::filters::SpecificResiduesNearInterfaceFilter, protocols::ligand_docking::AtomCountFilter, protocols::ligand_docking::HBondAcceptorFilter, protocols::ligand_docking::HeavyAtomFilter, protocols::ligand_docking::MolarMassFilter, protocols::ligand_docking::MolecularMassFilter, protocols::ligand_docking::HBondDonorFilter, protocols::simple_filters::InterfaceBindingEnergyDensityFilter, protocols::ligand_docking::ChainExistsFilter, protocols::simple_filters::AveragePathLengthFilter, protocols::simple_filters::ConservedPosMutationFilter, protocols::simple_filters::ConstraintScoreCutoffFilter, protocols::simple_filters::DisulfideEntropyFilter, protocols::simple_filters::ScoreCutoffFilter, protocols::ligand_docking::CompleteConnectionsFilter, protocols::filters::FalseFilter, protocols::docking::DockingLowResFilter, protocols::simple_filters::ResidueCountFilter, protocols::filters::HeavyAtomFilter, protocols::protein_interface_design::filters::FilterScanFilter, protocols::protein_interface_design::filters::StubScoreLoopsFilter, protocols::filters::ContingentFilter, protocols::protein_interface_design::filters::StubScoreFilter, protocols::protein_interface_design::filters::StubScoreFilter, protocols::simple_filters::COFilter, protocols::simple_filters::RGFilter, protocols::filters::CalculatorFilter, protocols::simple_filters::AbinitioBaseFilter, protocols::simple_filters::AtomicContactFilter, protocols::simple_filters::DdgFilter, protocols::simple_filters::AtomicDistanceFilter, protocols::simple_filters::ResidueSetChainEnergyFilter, protocols::simple_filters::RotamerBoltzmannWeight, protocols::protein_interface_design::filters::BindingStrainFilter, protocols::protein_interface_design::filters::DesignableResiduesFilter, protocols::protein_interface_design::filters::SequenceRecoveryFilter, protocols::simple_filters::NetChargeFilter, protocols::simple_filters::TerminusDistanceFilter, protocols::filters::TrueFilter, protocols::protein_interface_design::filters::AverageDegreeFilter, protocols::protein_interface_design::filters::FNatFilter, protocols::protein_interface_design::filters::IRmsdFilter, protocols::simple_filters::GeometryFilter, protocols::filters::TimeFilter, protocols::protein_interface_design::filters::LRmsdFilter, protocols::protein_interface_design::filters::Torsion, protocols::simple_filters::NeighborTypeFilter, protocols::simple_filters::NMerPSSMEnergyFilter, protocols::simple_filters::NMerSVMEnergyFilter, protocols::simple_filters::RelativePoseFilter, protocols::simple_filters::ScoreTypeFilter, protocols::protein_interface_design::filters::BoltzmannFilter, protocols::protein_interface_design::filters::RelativeSegmentFilter, protocols::simple_filters::AlaScan, protocols::simple_filters::ResidueIEFilter, protocols::protein_interface_design::filters::AtomicContactCountFilter, protocols::filters::ReplicateFilter, protocols::protein_interface_design::filters::RmsdFilter, protocols::simple_filters::DeltaFilter, protocols::simple_filters::TotalSasaFilter, protocols::protein_interface_design::filters::InterfaceHolesFilter, protocols::simple_filters::BuriedUnsatHbondFilter, protocols::simple_filters::MultipleSigmoids, protocols::simple_filters::PoseInfoFilter, protocols::simple_filters::ResidueDistanceFilter, protocols::simple_filters::SavePoseConstraintToFileFilter, protocols::simple_filters::EnergyPerResidueFilter, protocols::simple_filters::InterfaceSasaFilter, protocols::simple_filters::ReportFilter, protocols::simple_filters::ExpiryFilter, protocols::simple_filters::FileExistFilter, protocols::simple_filters::FileRemoveFilter, protocols::simple_filters::PDDFScoreFilter, protocols::simple_filters::ResiduesInInterfaceFilter, protocols::simple_filters::SAXSScoreFilter, protocols::simple_filters::NonSequentialNeighborsFilter, protocols::simple_filters::SidechainRmsdFilter, protocols::simple_filters::Sigmoid, protocols::simple_filters::ResidueBurialFilter, protocols::protein_interface_design::filters::ClashWithTargetFilter, protocols::simple_filters::Operator, and protocols::simple_filters::PoseComment.
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inlinevirtual |
Reimplemented in protocols::simple_filters::DomainInterfaceFilter, and protocols::simple_filters::BuriedRegionsFilter.
References type_.
Referenced by protocols::protein_interface_design::DockDesignFilterFactory::add_type(), protocols::simple_filters::Operator::compute(), protocols::simple_moves::GenericMonteCarloMover::load_trial_number_from_checkpoint(), protocols::simple_filters::Operator::modify_relative_filters_pdb_names(), protocols::enzdes::RemoveLigandFilter::report_sm(), and protocols::simple_filters::Operator::reset_baseline().
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inline |
References user_defined_name_.
Referenced by protocols::simple_filters::ConstraintScoreCutoffFilter::apply(), protocols::simple_filters::DeltaFilter::compute(), protocols::simple_moves::GenericMonteCarloMover::parse_my_tag(), protocols::simple_filters::Operator::report_sm(), protocols::simple_filters::ShapeComplementarityFilter::report_sm(), protocols::protein_interface_design::filters::SequenceRecoveryFilter::write_to_pdb(), and protocols::simple_filters::RotamerBoltzmannWeight::write_to_pdb().
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inlinevirtual |
Reimplemented in protocols::fldsgn::filters::HSSTripletFilter, protocols::simple_filters::PackerNeighborGraphFilter, protocols::fldsgn::filters::HelixPairingFilter, protocols::fldsgn::filters::SheetTopologyFilter, protocols::fldsgn::filters::InterlockingAromaFilter, protocols::fldsgn::filters::CoreDunbrackFilter, protocols::fldsgn::filters::FragQualFilter, protocols::fldsgn::filters::SecondaryStructureFilter, protocols::simple_filters::ScoreCutoffFilter, protocols::fldsgn::filters::NcontactsFilter, protocols::simple_filters::HolesFilter, protocols::simple_filters::ConstraintScoreCutoffFilter, protocols::simple_filters::PackStatFilter, protocols::simple_filters::RangeFilter, protocols::fldsgn::filters::HelixKinkFilter, protocols::simple_filters::DomainInterfaceFilter, protocols::simple_filters::BuriedRegionsFilter, protocols::simple_filters::ShapeComplementarityFilter, protocols::fldsgn::filters::SecondaryStructureCountFilter, protocols::simple_filters::ConservedPosMutationFilter, protocols::simple_filters::SheetFilter, protocols::simple_filters::COFilter, protocols::simple_filters::AbinitioBaseFilter, protocols::simple_filters::RGFilter, protocols::simple_filters::PDDFScoreFilter, protocols::simple_filters::SAXSScoreFilter, and protocols::protein_interface_design::filters::AtomicContactCountFilter.
Referenced by protocols::filters::CalculatorFilter::add_constant(), protocols::filters::CalculatorFilter::add_filter(), and set_user_defined_name().
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virtual |
Reimplemented in protocols::enzdes::LigInterfaceEnergyFilter, protocols::simple_filters::ShapeComplementarityFilter, protocols::protein_interface_design::filters::SequenceRecoveryFilter, protocols::simple_filters::DdgFilter, protocols::simple_filters::RotamerBoltzmannWeight, protocols::protein_interface_design::filters::DesignableResiduesFilter, protocols::simple_filters::ScoreTypeFilter, and protocols::simple_filters::InterfaceSasaFilter.
References utility_exit_with_message.
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virtual |
Reimplemented in protocols::enzdes::ResidueConformerFilter, protocols::enzdes::EnzdesScorefileFilter, protocols::enzdes::RepackWithoutLigandFilter, protocols::enzdes::DiffAtomSasaFilter, protocols::filters::IfThenFilter, protocols::enzdes::EnzScoreFilter, protocols::filters::MoveBeforeFilter, protocols::filters::CombinedFilter, protocols::enzdes::LigInterfaceEnergyFilter, protocols::fldsgn::filters::HSSTripletFilter, protocols::fldsgn::filters::ParallelBetaPairingPreferenceFilter, protocols::fldsgn::filters::NcontactsFilter, protocols::fldsgn::filters::HelixPairingFilter, protocols::fldsgn::filters::SheetTopologyFilter, protocols::fldsgn::filters::InterlockingAromaFilter, protocols::fldsgn::filters::CoreDunbrackFilter, protocols::filters::CompoundFilter, protocols::fldsgn::filters::FragQualFilter, protocols::fldsgn::filters::SecondaryStructureFilter, protocols::simple_filters::HolesFilter, protocols::simple_filters::PackStatFilter, protocols::simple_filters::SymmetricMotifFilter, protocols::simple_filters::RangeFilter, protocols::simple_filters::ShapeComplementarityFilter, protocols::enzdes::LigBurialFilter, protocols::fldsgn::filters::HelixKinkFilter, protocols::fldsgn::filters::SecondaryStructureCountFilter, protocols::protein_interface_design::filters::DisulfideFilter, protocols::simple_filters::DisulfideEntropyFilter, protocols::simple_filters::AveragePathLengthFilter, protocols::simple_filters::DomainInterfaceFilter, protocols::simple_filters::ResidueCountFilter, protocols::protein_interface_design::filters::FilterScanFilter, protocols::simple_filters::DdgFilter, protocols::filters::StochasticFilter, protocols::protein_interface_design::filters::SequenceRecoveryFilter, protocols::enzdes::LigDSasaFilter, protocols::simple_filters::AlaScan, protocols::simple_filters::BuriedRegionsFilter, protocols::ligand_docking::AtomCountFilter, protocols::ligand_docking::HBondAcceptorFilter, protocols::ligand_docking::HeavyAtomFilter, protocols::ligand_docking::MolarMassFilter, protocols::ligand_docking::MolecularMassFilter, protocols::enzdes::RemoveLigandFilter, protocols::ligand_docking::HBondDonorFilter, protocols::ligand_docking::ChainExistsFilter, protocols::simple_filters::ScoreCutoffFilter, protocols::simple_filters::ConstraintScoreCutoffFilter, protocols::simple_filters::InterfaceBindingEnergyDensityFilter, protocols::ligand_docking::CompleteConnectionsFilter, protocols::simple_filters::ConservedPosMutationFilter, protocols::simple_filters::ResidueSetChainEnergyFilter, protocols::filters::ContingentFilter, protocols::filters::HeavyAtomFilter, protocols::protein_interface_design::filters::AtomicContactCountFilter, protocols::protein_interface_design::filters::InterfaceHolesFilter, protocols::protein_interface_design::filters::FNatFilter, protocols::protein_interface_design::filters::IRmsdFilter, protocols::protein_interface_design::filters::StubScoreFilter, protocols::protein_interface_design::filters::StubScoreFilter, protocols::simple_filters::AtomicContactFilter, protocols::simple_filters::NMerPSSMEnergyFilter, protocols::simple_filters::NMerSVMEnergyFilter, protocols::denovo_design::filters::ExposedHydrophobicsFilter, protocols::filters::CalculatorFilter, protocols::protein_interface_design::filters::LRmsdFilter, protocols::protein_interface_design::filters::RmsdFilter, protocols::protein_interface_design::filters::StubScoreLoopsFilter, protocols::simple_filters::AtomicDistanceFilter, protocols::simple_filters::RotamerBoltzmannWeight, protocols::simple_filters::ScoreTypeFilter, protocols::protein_interface_design::filters::DesignableResiduesFilter, protocols::simple_filters::NetChargeFilter, protocols::simple_filters::ResidueIEFilter, protocols::simple_filters::ResiduesInInterfaceFilter, protocols::simple_filters::TerminusDistanceFilter, protocols::protein_interface_design::filters::AverageDegreeFilter, protocols::simple_filters::GeometryFilter, protocols::simple_filters::InterfaceSasaFilter, protocols::filters::TimeFilter, protocols::protein_interface_design::filters::BindingStrainFilter, protocols::simple_filters::NeighborTypeFilter, protocols::simple_filters::EnergyPerResidueFilter, protocols::protein_interface_design::filters::Torsion, protocols::simple_filters::RelativePoseFilter, protocols::simple_filters::ReportFilter, protocols::filters::ReplicateFilter, protocols::protein_interface_design::filters::BoltzmannFilter, protocols::protein_interface_design::filters::SpecificResiduesNearInterfaceFilter, protocols::simple_filters::ExpiryFilter, protocols::simple_filters::FileExistFilter, protocols::simple_filters::FileRemoveFilter, protocols::simple_filters::NonSequentialNeighborsFilter, protocols::simple_filters::PoseInfoFilter, protocols::simple_filters::ResidueDistanceFilter, protocols::simple_filters::SavePoseConstraintToFileFilter, protocols::simple_filters::TotalSasaFilter, protocols::simple_filters::DeltaFilter, protocols::simple_filters::MultipleSigmoids, protocols::simple_filters::Sigmoid, protocols::simple_filters::BuriedUnsatHbondFilter, protocols::protein_interface_design::filters::ClashWithTargetFilter, protocols::simple_filters::Operator, protocols::simple_filters::PoseComment, protocols::simple_filters::ResidueBurialFilter, and protocols::simple_filters::SidechainRmsdFilter.
Referenced by protocols::filters::FilterFactory::newFilter().
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inlinevirtual |
Reimplemented in protocols::enzdes::ResidueConformerFilter, protocols::enzdes::RepackWithoutLigandFilter, protocols::enzdes::DiffAtomSasaFilter, protocols::filters::IfThenFilter, protocols::enzdes::EnzScoreFilter, protocols::filters::MoveBeforeFilter, protocols::filters::CombinedFilter, protocols::enzdes::LigInterfaceEnergyFilter, protocols::fldsgn::filters::InterlockingAromaFilter, protocols::fldsgn::filters::CoreDunbrackFilter, protocols::fldsgn::filters::FragQualFilter, protocols::simple_filters::HolesFilter, protocols::fldsgn::filters::ParallelBetaPairingPreferenceFilter, protocols::fldsgn::filters::NcontactsFilter, protocols::simple_filters::RangeFilter, protocols::fldsgn::filters::SecondaryStructureCountFilter, protocols::filters::CompoundFilter, protocols::enzdes::LigBurialFilter, protocols::simple_filters::SymmetricMotifFilter, protocols::protein_interface_design::filters::DisulfideFilter, protocols::denovo_design::filters::ExposedHydrophobicsFilter, protocols::protein_interface_design::filters::HbondsToAtomFilter, protocols::protein_interface_design::filters::HbondsToResidueFilter, protocols::filters::StochasticFilter, protocols::simple_filters::DdgFilter, protocols::simple_filters::AveragePathLengthFilter, protocols::simple_filters::ConstraintScoreCutoffFilter, protocols::simple_filters::DisulfideEntropyFilter, protocols::simple_filters::ScoreCutoffFilter, protocols::protein_interface_design::filters::SpecificResiduesNearInterfaceFilter, protocols::enzdes::LigDSasaFilter, protocols::simple_filters::ResidueCountFilter, protocols::simple_filters::InterfaceBindingEnergyDensityFilter, protocols::simple_filters::ResidueSetChainEnergyFilter, protocols::docking::DockingLowResFilter, protocols::protein_interface_design::filters::InterfaceHolesFilter, protocols::protein_interface_design::filters::FNatFilter, protocols::protein_interface_design::filters::IRmsdFilter, protocols::simple_filters::NMerPSSMEnergyFilter, protocols::simple_filters::NMerSVMEnergyFilter, protocols::simple_filters::ScoreTypeFilter, protocols::protein_interface_design::filters::FilterScanFilter, protocols::protein_interface_design::filters::LRmsdFilter, protocols::protein_interface_design::filters::RelativeSegmentFilter, protocols::simple_filters::AlaScan, protocols::simple_filters::ResidueIEFilter, protocols::simple_filters::ResiduesInInterfaceFilter, protocols::protein_interface_design::filters::StubScoreFilter, protocols::protein_interface_design::filters::StubScoreFilter, protocols::filters::ContingentFilter, protocols::protein_interface_design::filters::RmsdFilter, protocols::simple_filters::RotamerBoltzmannWeight, protocols::protein_interface_design::filters::BindingStrainFilter, protocols::protein_interface_design::filters::DesignableResiduesFilter, protocols::protein_interface_design::filters::SequenceRecoveryFilter, protocols::simple_filters::AtomicContactFilter, protocols::simple_filters::EnergyPerResidueFilter, protocols::simple_filters::ReportFilter, protocols::protein_interface_design::filters::AverageDegreeFilter, protocols::simple_filters::AtomicDistanceFilter, protocols::simple_filters::ExpiryFilter, protocols::simple_filters::FileExistFilter, protocols::simple_filters::FileRemoveFilter, protocols::simple_filters::MultipleSigmoids, protocols::simple_filters::Sigmoid, protocols::filters::CalculatorFilter, protocols::protein_interface_design::filters::Torsion, protocols::simple_filters::NonSequentialNeighborsFilter, protocols::simple_filters::RelativePoseFilter, protocols::protein_interface_design::filters::BoltzmannFilter, protocols::simple_filters::NetChargeFilter, protocols::simple_filters::Operator, protocols::simple_filters::TerminusDistanceFilter, protocols::filters::TimeFilter, protocols::simple_filters::GeometryFilter, protocols::simple_filters::PoseComment, protocols::protein_interface_design::filters::ClashWithTargetFilter, protocols::simple_filters::DeltaFilter, protocols::simple_filters::NeighborTypeFilter, protocols::simple_filters::BuriedUnsatHbondFilter, protocols::simple_filters::InterfaceSasaFilter, protocols::simple_filters::PoseInfoFilter, protocols::simple_filters::SavePoseConstraintToFileFilter, protocols::filters::ReplicateFilter, protocols::simple_filters::ResidueDistanceFilter, protocols::simple_filters::TotalSasaFilter, protocols::simple_filters::SidechainRmsdFilter, and protocols::simple_filters::ResidueBurialFilter.
Referenced by protocols::simple_moves::ddG::fill_energy_vector().
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used to report filter internals through a score or silent file
Reimplemented in protocols::enzdes::ResidueConformerFilter, protocols::enzdes::RepackWithoutLigandFilter, protocols::enzdes::DiffAtomSasaFilter, protocols::filters::IfThenFilter, protocols::enzdes::EnzScoreFilter, protocols::filters::MoveBeforeFilter, protocols::fldsgn::filters::HSSTripletFilter, protocols::filters::CombinedFilter, protocols::enzdes::LigInterfaceEnergyFilter, protocols::fldsgn::filters::HelixPairingFilter, protocols::fldsgn::filters::InterlockingAromaFilter, protocols::fldsgn::filters::CoreDunbrackFilter, protocols::fldsgn::filters::FragQualFilter, protocols::fldsgn::filters::SecondaryStructureFilter, protocols::simple_filters::HolesFilter, protocols::simple_filters::PackStatFilter, protocols::fldsgn::filters::ParallelBetaPairingPreferenceFilter, protocols::simple_filters::ShapeComplementarityFilter, protocols::fldsgn::filters::NcontactsFilter, protocols::filters::CompoundFilter, protocols::fldsgn::filters::SecondaryStructureCountFilter, protocols::simple_filters::SymmetricMotifFilter, protocols::enzdes::LigBurialFilter, protocols::protein_interface_design::filters::DisulfideFilter, protocols::denovo_design::filters::ExposedHydrophobicsFilter, protocols::protein_interface_design::filters::HbondsToAtomFilter, protocols::protein_interface_design::filters::HbondsToResidueFilter, protocols::simple_filters::DdgFilter, protocols::simple_filters::AveragePathLengthFilter, protocols::simple_filters::DisulfideEntropyFilter, protocols::protein_interface_design::filters::AtomicContactCountFilter, protocols::simple_filters::ResidueCountFilter, protocols::enzdes::RemoveLigandFilter, protocols::protein_interface_design::filters::SpecificResiduesNearInterfaceFilter, protocols::enzdes::LigDSasaFilter, protocols::simple_filters::InterfaceBindingEnergyDensityFilter, protocols::simple_filters::ResidueSetChainEnergyFilter, protocols::protein_interface_design::filters::InterfaceHolesFilter, protocols::protein_interface_design::filters::FNatFilter, protocols::protein_interface_design::filters::IRmsdFilter, protocols::protein_interface_design::filters::RmsdFilter, protocols::simple_filters::AlaScan, protocols::simple_filters::NMerPSSMEnergyFilter, protocols::simple_filters::NMerSVMEnergyFilter, protocols::simple_filters::ScoreTypeFilter, protocols::protein_interface_design::filters::FilterScanFilter, protocols::protein_interface_design::filters::LRmsdFilter, protocols::protein_interface_design::filters::RelativeSegmentFilter, protocols::simple_filters::ResidueIEFilter, protocols::simple_filters::ResiduesInInterfaceFilter, protocols::protein_interface_design::filters::StubScoreFilter, protocols::protein_interface_design::filters::StubScoreFilter, protocols::filters::ContingentFilter, protocols::simple_filters::RotamerBoltzmannWeight, protocols::protein_interface_design::filters::BindingStrainFilter, protocols::protein_interface_design::filters::DesignableResiduesFilter, protocols::protein_interface_design::filters::SequenceRecoveryFilter, protocols::simple_filters::AtomicContactFilter, protocols::simple_filters::EnergyPerResidueFilter, protocols::simple_filters::ReportFilter, protocols::protein_interface_design::filters::AverageDegreeFilter, protocols::simple_filters::AtomicDistanceFilter, protocols::simple_filters::ExpiryFilter, protocols::simple_filters::FileExistFilter, protocols::simple_filters::FileRemoveFilter, protocols::simple_filters::MultipleSigmoids, protocols::simple_filters::Sigmoid, protocols::filters::CalculatorFilter, protocols::protein_interface_design::filters::Torsion, protocols::simple_filters::NonSequentialNeighborsFilter, protocols::simple_filters::RelativePoseFilter, protocols::protein_interface_design::filters::BoltzmannFilter, protocols::simple_filters::NetChargeFilter, protocols::simple_filters::Operator, protocols::simple_filters::TerminusDistanceFilter, protocols::filters::TimeFilter, protocols::simple_filters::GeometryFilter, protocols::simple_filters::PoseComment, protocols::protein_interface_design::filters::ClashWithTargetFilter, protocols::simple_filters::DeltaFilter, protocols::simple_filters::NeighborTypeFilter, protocols::simple_filters::BuriedUnsatHbondFilter, protocols::simple_filters::InterfaceSasaFilter, protocols::simple_filters::PoseInfoFilter, protocols::simple_filters::SavePoseConstraintToFileFilter, protocols::filters::ReplicateFilter, protocols::simple_filters::ResidueDistanceFilter, protocols::simple_filters::TotalSasaFilter, protocols::simple_filters::SidechainRmsdFilter, and protocols::simple_filters::ResidueBurialFilter.
Referenced by protocols::simple_moves::ContingentAcceptMover::apply(), protocols::protein_interface_design::movers::SetTemperatureFactor::apply(), protocols::loophash::LoopHashMoverWrapper::apply(), protocols::protein_interface_design::filters::FilterScanFilter::apply(), protocols::loophash::LoopHashDiversifier::apply(), protocols::simple_filters::RangeFilter::apply(), protocols::simple_filters::DeltaFilter::baseline(), protocols::filters::ReplicateFilter::compute(), protocols::simple_moves::ddG::fill_energy_vector(), protocols::pose_reporters::FilterReporter::report_property(), protocols::simple_filters::Operator::report_sm(), protocols::enzdes::RemoveLigandFilter::report_sm(), protocols::simple_filters::Sigmoid::reset_baseline(), and score().
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References begin, and clear().
Referenced by protocols::simple_filters::NMerPSSMEnergyFilter::apply(), protocols::simple_filters::ScoreTypeFilter::apply(), protocols::simple_filters::NMerSVMEnergyFilter::apply(), protocols::simple_filters::ResidueSetChainEnergyFilter::apply(), protocols::simple_filters::PackStatFilter::apply(), protocols::fldsgn::filters::NcontactsFilter::apply(), protocols::fldsgn::filters::ParallelBetaPairingPreferenceFilter::apply(), protocols::protein_interface_design::filters::ClashWithTargetFilter::compute(), protocols::simple_filters::GeometryFilter::compute(), protocols::simple_filters::EnergyPerResidueFilter::compute(), protocols::simple_filters::ScoreTypeFilter::compute(), protocols::simple_filters::NMerPSSMEnergyFilter::compute(), protocols::simple_filters::NMerSVMEnergyFilter::compute(), protocols::simple_filters::ResidueSetChainEnergyFilter::compute(), protocols::fldsgn::filters::ParallelBetaPairingPreferenceFilter::compute(), protocols::fldsgn::filters::FragQualFilter::compute(), protocols::enzdes::EnzScoreFilter::compute(), protocols::simple_filters::RotamerBoltzmannWeight::compute_Boltzmann_weight(), protocols::simple_filters::PackStatFilter::filtered_score(), protocols::simple_filters::ScoreCutoffFilter::output_residue_pair_energies(), and score().
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References report_sm(), score(), scorename_, and core::pose::setPoseExtraScores().
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References name(), and user_defined_name_.
Referenced by protocols::filters::FilterFactory::newFilter(), and protocols::simple_filters::ConstraintScoreCutoffFilter::parse_my_tag().
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Referenced by get_type().
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Referenced by get_user_defined_name(), and set_user_defined_name().
1.8.7