![]() |
Rosetta Core
2014.16.56682
|
Task class that gives instructions to the packer. More...
#include <PackerTask.hh>
Public Types | |
| typedef chemical::AA | AA |
| typedef rotamer_set::RotamerCouplingsCOP | RotamerCouplingsCOP |
| typedef rotamer_set::RotamerLinksCOP | RotamerLinksCOP |
Public Member Functions | |
| virtual | ~PackerTask ()=0 |
| virtual PackerTaskOP | clone () const =0 |
| virtual void | clean_residue_task (conformation::Residue const &original_residue, Size const seqpos)=0 |
| virtual Size | total_residue () const =0 |
| virtual void | temporarily_fix_everything ()=0 |
| virtual void | temporarily_set_pack_residue (int resid, bool setting)=0 |
| virtual bool | pack_residue (int resid) const =0 |
| virtual bool | being_packed (Size resid) const =0 |
| virtual Size | num_to_be_packed () const =0 |
| virtual bool | design_residue (int resid) const =0 |
| virtual bool | being_designed (Size resid) const =0 |
| virtual bool | design_any () const =0 |
| virtual void | set_bump_check (bool setting)=0 |
| virtual bool | bump_check () const =0 |
| virtual void | and_max_rotbump_energy (Real setting)=0 |
| virtual Real | max_rotbump_energy () const =0 |
| virtual void | or_include_current (bool setting)=0 |
| virtual void | or_include_current (bool setting, Size resid)=0 |
| virtual bool | include_current (Size resid) const =0 |
| virtual void | add_behavior (std::string const &behavior)=0 |
| virtual void | add_behavior (std::string const &behavior, Size resid)=0 |
| virtual bool | has_behavior (std::string const &behavior, Size resid) const =0 |
| virtual bool | has_behavior (Size resid) const =0 |
| virtual void | or_adducts (bool setting)=0 |
| virtual void | or_adducts (bool setting, Size resid)=0 |
| virtual bool | adducts (Size resid) const =0 |
| virtual void | or_optimize_h_mode (bool setting)=0 |
| virtual void | or_preserve_c_beta (bool setting)=0 |
| virtual void | or_flip_HNQ (bool setting)=0 |
| virtual void | or_fix_his_tautomer (utility::vector1< int > const &positions, bool setting)=0 |
| virtual void | or_linmem_ig (bool setting)=0 |
| Activate a LinearMemoryInteraction graph that uses 95% less memory in design runs and runs twice as fast. (Not faster for fixed-sequence repackings). More... | |
| virtual bool | linmem_ig () const =0 |
| virtual void | decrease_linmem_ig_history_size (Size setting)=0 |
| virtual Size | linmem_ig_history_size () const =0 |
| virtual void | or_lazy_ig (bool setting)=0 |
| Activate a LazyInteractionGraph that computes rotamer pair energies at most once. More... | |
| virtual bool | lazy_ig () const =0 |
| virtual void | or_double_lazy_ig (bool setting)=0 |
| Activates the DoubleLazyInteractionGraph, which computes rotamer pair energies at most once, and delays allocating memory to hold them until needed. Used for multistate design. More... | |
| virtual bool | double_lazy_ig () const =0 |
| virtual void | decrease_double_lazy_ig_memlimit (Size nbytes_for_rpes)=0 |
| virtual Size | double_lazy_ig_memlimit () const =0 |
| virtual void | or_multi_cool_annealer (bool setting)=0 |
| virtual bool | multi_cool_annealer () const =0 |
| virtual void | increase_multi_cool_annealer_history_size (Size setting)=0 |
| virtual Size | multi_cool_annealer_history_size () const =0 |
| virtual void | show (std::ostream &out) const =0 |
| virtual void | show () const =0 |
| virtual void | show_residue_task (std::ostream &out, Size resid) const =0 |
| virtual void | show_residue_task (Size resid) const =0 |
| virtual void | show_all_residue_tasks (std::ostream &out) const =0 |
| virtual void | show_all_residue_tasks () const =0 |
| virtual PackerTask & | initialize_from_command_line ()=0 |
| virtual PackerTask & | initialize_extra_rotamer_flags_from_command_line ()=0 |
| virtual PackerTask & | restrict_to_residues (utility::vector1< bool > const &residues_allowed_to_be_packed)=0 |
| virtual PackerTask & | restrict_to_repacking ()=0 |
| virtual ResidueLevelTask const & | residue_task (Size resid) const =0 |
| virtual ResidueLevelTask & | nonconst_residue_task (Size resid)=0 |
| virtual utility::vector1< bool > | repacking_residues () const =0 |
| virtual utility::vector1< bool > | designing_residues () const =0 |
| virtual bool | rotamer_couplings_exist () const =0 |
| virtual RotamerCouplingsCOP | rotamer_couplings () const =0 |
| virtual void | rotamer_couplings (RotamerCouplingsCOP setting)=0 |
| virtual bool | rotamer_links_exist () const =0 |
| virtual RotamerLinksCOP | rotamer_links () const =0 |
| virtual void | rotamer_links (RotamerLinksCOP setting)=0 |
| virtual IGEdgeReweightContainerCOP | IGEdgeReweights () const =0 |
| virtual IGEdgeReweightContainerOP | set_IGEdgeReweights ()=0 |
| virtual void | append_rotamer_operation (rotamer_set::RotamerOperationOP rotop)=0 |
| virtual void | append_rotamerset_operation (rotamer_set::RotamerSetOperationOP rotsetop)=0 |
| virtual void | low_temp (Real const &low_temp)=0 |
| virtual void | high_temp (Real const &high_temp)=0 |
| virtual void | disallow_quench (bool const &disallow_quench)=0 |
| virtual Real | low_temp () const =0 |
| virtual Real | high_temp () const =0 |
| virtual bool | disallow_quench () const =0 |
| virtual std::string | task_string (pose::Pose const &pose) const =0 |
| virtual void | remap_residue_level_tasks (core::id::SequenceMappingCOP seqmap, core::pose::Pose const &pose)=0 |
| virtual void | update_commutative (PackerTask const &to_copy)=0 |
| virtual void | request_symmetrize_by_intersection ()=0 |
| virtual void | request_symmetrize_by_union ()=0 |
| virtual bool | symmetrize_by_union () const =0 |
| virtual bool | symmetrize_by_intersection () const =0 |
Private Member Functions | |
| virtual PackerTask & | operator= (PackerTask const &)=0 |
Friends | |
| std::ostream & | operator<< (std::ostream &os, PackerTask const &t) |
| output operator More... | |
Task class that gives instructions to the packer.
|
pure virtual |
|
pure virtual |
Implemented in core::pack::task::PackerTask_.
|
pure virtual |
Implemented in core::pack::task::PackerTask_.
Implemented in core::pack::task::PackerTask_.
|
pure virtual |
Implemented in core::pack::task::PackerTask_.
|
pure virtual |
Implemented in core::pack::task::PackerTask_.
Referenced by core::pack::task::operation::AppendRotamer::apply().
|
pure virtual |
Implemented in core::pack::task::PackerTask_.
Referenced by core::pack::task::operation::AppendRotamerSet::apply().
Implemented in core::pack::task::PackerTask_.
|
pure virtual |
Implemented in core::pack::task::PackerTask_.
Referenced by core::pack::rotamer_set::RotamerSet_::build_rotamers_for_concrete().
|
pure virtual |
Implemented in core::pack::task::PackerTask_.
|
pure virtual |
|
pure virtual |
Implemented in core::pack::task::PackerTask_.
|
pure virtual |
Implemented in core::pack::task::PackerTask_.
|
pure virtual |
Implemented in core::pack::task::PackerTask_.
Referenced by core::pack::interaction_graph::InteractionGraphFactory::create_interaction_graph().
Implemented in core::pack::task::PackerTask_.
|
pure virtual |
Implemented in core::pack::task::PackerTask_.
|
pure virtual |
Implemented in core::pack::task::PackerTask_.
|
pure virtual |
Implemented in core::pack::task::PackerTask_.
|
pure virtual |
Implemented in core::pack::task::PackerTask_.
Referenced by core::pack::interaction_graph::InteractionGraphFactory::create_interaction_graph().
|
pure virtual |
Implemented in core::pack::task::PackerTask_.
Referenced by core::pack::interaction_graph::InteractionGraphFactory::create_interaction_graph().
|
pure virtual |
Implemented in core::pack::task::PackerTask_.
Implemented in core::pack::task::PackerTask_.
|
pure virtual |
Implemented in core::pack::task::PackerTask_.
|
pure virtual |
Implemented in core::pack::task::PackerTask_.
|
pure virtual |
Implemented in core::pack::task::PackerTask_.
|
pure virtual |
Implemented in core::pack::task::PackerTask_.
|
pure virtual |
Implemented in core::pack::task::PackerTask_.
Referenced by core::pack::task::operation::InitializeExtraRotsFromCommandline::apply().
|
pure virtual |
Implemented in core::pack::task::PackerTask_.
Referenced by core::pack::task::operation::OptH::apply(), and core::pack::task::operation::InitializeFromCommandline::apply().
|
pure virtual |
Implemented in core::pack::task::PackerTask_.
Referenced by core::pack::interaction_graph::InteractionGraphFactory::create_interaction_graph().
|
pure virtual |
Implemented in core::pack::task::PackerTask_.
Referenced by core::pack::interaction_graph::InteractionGraphFactory::create_interaction_graph().
|
pure virtual |
Implemented in core::pack::task::PackerTask_.
Referenced by core::pack::interaction_graph::InteractionGraphFactory::create_interaction_graph().
|
pure virtual |
Implemented in core::pack::task::PackerTask_.
|
pure virtual |
Implemented in core::pack::task::PackerTask_.
|
pure virtual |
Implemented in core::pack::task::PackerTask_.
Referenced by core::pack::rotamer_set::RotamerSet_::build_rotamers_for_concrete().
|
pure virtual |
Implemented in core::pack::task::PackerTask_.
|
pure virtual |
Implemented in core::pack::task::PackerTask_.
|
pure virtual |
Implemented in core::pack::task::PackerTask_.
Referenced by core::pack::task::operation::ReplicateTask::apply(), core::pack::task::operation::OperateOnResidueSubset::apply(), core::pack::task::operation::OperateOnCertainResidues::apply(), core::pack::task::operation::DockingNoRepack1::apply(), core::pack::task::operation::NoRepackDisulfides::apply(), core::pack::task::operation::RestrictResidueToRepacking::apply(), core::pack::task::operation::OptH::apply(), core::pack::task::operation::DockingNoRepack2::apply(), core::pack::task::operation::RestrictAbsentCanonicalAAS::apply(), core::pack::task::operation::DisallowIfNonnative::apply(), core::pack::task::operation::RestrictToInterface::apply(), core::pack::task::operation::RotamerExplosion::apply(), core::pack::task::operation::ExtraRotamersGeneric::apply(), core::pack::task::operation::AppendResidueRotamerSet::apply(), core::pack::task::operation::PreventRepacking::apply(), core::pack::task::operation::RestrictYSDesign::apply(), core::pack::task::operation::ExtraRotamers::apply(), core::pack::task::operation::ExtraChiCutoff::apply(), core::pack::task::NATRO::residue_action(), core::pack::task::NATAA::residue_action(), core::pack::task::ALLAAxc::residue_action(), core::pack::task::PIKAA::residue_action(), core::pack::task::PIKNA::residue_action(), core::pack::task::PIKRNA::residue_action(), core::pack::task::NOTAA::residue_action(), core::pack::task::EMPTY::residue_action(), core::pack::task::POLAR::residue_action(), core::pack::task::APOLAR::residue_action(), core::pack::task::EX::residue_action(), core::pack::task::NC::residue_action(), core::pack::task::EX_CUTOFF::residue_action(), core::pack::task::USE_INPUT_SC::residue_action(), core::pack::task::AUTO::residue_action(), core::pack::task::SCAN::residue_action(), core::pack::task::TARGET::residue_action(), core::pack::task::NO_ADDUCTS::residue_action(), core::pack::task::FIX_HIS_TAUTOMER::residue_action(), and core::pack::task::operation::RestrictToInterface::symmetric_task().
|
pure virtual |
|
privatepure virtual |
Implemented in core::pack::task::PackerTask_.
|
pure virtual |
Implemented in core::pack::task::PackerTask_.
Implemented in core::pack::task::PackerTask_.
|
pure virtual |
Activates the DoubleLazyInteractionGraph, which computes rotamer pair energies at most once, and delays allocating memory to hold them until needed. Used for multistate design.
Implemented in core::pack::task::PackerTask_.
|
pure virtual |
Implemented in core::pack::task::PackerTask_.
|
pure virtual |
Implemented in core::pack::task::PackerTask_.
Referenced by core::pack::task::operation::OptH::apply().
|
pure virtual |
Implemented in core::pack::task::PackerTask_.
Referenced by core::pack::task::operation::OptH::apply(), and core::pack::task::operation::IncludeCurrent::apply().
|
pure virtual |
Implemented in core::pack::task::PackerTask_.
|
pure virtual |
Activate a LazyInteractionGraph that computes rotamer pair energies at most once.
Implemented in core::pack::task::PackerTask_.
|
pure virtual |
Activate a LinearMemoryInteraction graph that uses 95% less memory in design runs and runs twice as fast. (Not faster for fixed-sequence repackings).
Implemented in core::pack::task::PackerTask_.
|
pure virtual |
Implemented in core::pack::task::PackerTask_.
Referenced by core::pack::task::operation::OptH::apply().
|
pure virtual |
Implemented in core::pack::task::PackerTask_.
Referenced by core::pack::task::operation::OptH::apply().
|
pure virtual |
Implemented in core::pack::task::PackerTask_.
Referenced by core::pack::task::operation::PreserveCBeta::apply().
Implemented in core::pack::task::PackerTask_.
Referenced by core::pack::rotamer_set::build_dna_rotamers(), core::pack::rotamer_set::build_moving_O_water_rotamers_dependent(), core::pack::rotamer_set::build_moving_O_water_rotamers_independent(), core::pack::rotamer_set::RotamerSet_::bump_check(), core::pack::rotamer_set::symmetry::SymmetricRotamerSet_::compute_one_body_energies(), core::pack::rotamer_set::RotamerSet_::compute_one_body_energies(), core::pack::repackable_residues(), core::pack::repackable_residues_dup(), and core::pack::symmetric_repackable_residues().
|
pure virtual |
Implemented in core::pack::task::PackerTask_.
|
pure virtual |
Implemented in core::pack::task::PackerTask_.
|
pure virtual |
Implemented in core::pack::task::PackerTask_.
|
pure virtual |
Implemented in core::pack::task::PackerTask_.
|
pure virtual |
Implemented in core::pack::task::PackerTask_.
Referenced by core::pack::rotamer_set::UnboundRotamersOperation::alter_rotamer_set(), core::pack::scmin::AtomTreeCollection::AtomTreeCollection(), core::pack::rotamer_set::RotamerSet_::build_dependent_rotamers(), core::pack::rotamer_set::build_dna_rotamers(), core::pack::rotamer_set::RotamerSet_::build_optimize_H_rotamers(), core::pack::rotamer_set::build_rna_rotamers(), core::pack::rotamer_set::ContinuousRotamerSet::build_rotamers(), core::pack::rotamer_set::RotamerSet_::build_rotamers(), core::pack::rotamer_set::RotamerSet_::build_rotamers_for_concrete(), core::pack::dunbrack::RotamericSingleResidueDunbrackLibrary< T >::create_rotamers_from_chisets(), core::pack::dunbrack::RotamericSingleResidueDunbrackLibrary< T >::enumerate_chi_sets(), core::pack::dunbrack::SingleLigandRotamerLibrary::fill_rotamer_vector(), core::pack::dunbrack::cenrot::SingleResidueCenrotLibrary::fill_rotamer_vector(), core::pack::task::POLAR::residue_action(), core::pack::task::APOLAR::residue_action(), core::pack::task::NC::residue_action(), and core::pack::rotamer_set::RotamerSet_::set_extra_samples().
|
pure virtual |
Implemented in core::pack::task::PackerTask_.
Referenced by core::pack::task::operation::RestrictToRepacking::apply().
|
pure virtual |
Implemented in core::pack::task::PackerTask_.
|
pure virtual |
Implemented in core::pack::task::PackerTask_.
Referenced by core::pack::task::operation::SetRotamerCouplings::apply(), and core::pack::rotamer_set::build_dna_rotamers().
|
pure virtual |
Implemented in core::pack::task::PackerTask_.
|
pure virtual |
Implemented in core::pack::task::PackerTask_.
Referenced by core::pack::rotamer_set::build_dna_rotamers().
|
pure virtual |
Implemented in core::pack::task::PackerTask_.
Referenced by core::pack::task::operation::SetRotamerLinks::apply().
|
pure virtual |
Implemented in core::pack::task::PackerTask_.
|
pure virtual |
Implemented in core::pack::task::PackerTask_.
|
pure virtual |
Implemented in core::pack::task::PackerTask_.
|
pure virtual |
Implemented in core::pack::task::PackerTask_.
|
pure virtual |
Implemented in core::pack::task::PackerTask_.
Referenced by core::pack::task::operator<<().
|
pure virtual |
Implemented in core::pack::task::PackerTask_.
|
pure virtual |
Implemented in core::pack::task::PackerTask_.
|
pure virtual |
Implemented in core::pack::task::PackerTask_.
|
pure virtual |
Implemented in core::pack::task::PackerTask_.
|
pure virtual |
Implemented in core::pack::task::PackerTask_.
|
pure virtual |
Implemented in core::pack::task::PackerTask_.
|
pure virtual |
Implemented in core::pack::task::PackerTask_.
|
pure virtual |
Implemented in core::pack::task::PackerTask_.
|
pure virtual |
Implemented in core::pack::task::PackerTask_.
|
pure virtual |
Implemented in core::pack::task::PackerTask_.
|
pure virtual |
Implemented in core::pack::task::PackerTask_.
Referenced by core::pack::rotamer_set::UnboundRotamersOperation::alter_rotamer_set(), core::pack::task::operation::OperateOnResidueSubset::apply(), core::pack::task::operation::OperateOnCertainResidues::apply(), core::pack::task::operation::RestrictAbsentCanonicalAAS::apply(), core::pack::task::operation::DisallowIfNonnative::apply(), core::pack::task::operation::ExtraRotamersGeneric::apply(), core::pack::task::operation::ReadResfileAndObeyLengthEvents::apply(), core::pack::repackable_residues(), core::pack::repackable_residues_dup(), core::pack::task::operation::ReadResfileAndObeyLengthEvents::resfile_commands(), and core::pack::symmetric_repackable_residues().
|
pure virtual |
Implemented in core::pack::task::PackerTask_.
|
friend |
output operator
1.8.7