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core::pack::task::ResidueLevelTask Class Referenceabstract

#include <PackerTask.hh>

Inheritance diagram for core::pack::task::ResidueLevelTask:
Inheritance graph
[legend]

Public Types

typedef std::list
< chemical::ResidueTypeCOP
ResidueTypeCOPList
 
typedef std::list
< chemical::ResidueTypeCOP >
::iterator 
ResidueTypeCOPListIter
 
typedef std::list
< chemical::ResidueTypeCOP >
::const_iterator 
ResidueTypeCOPListConstIter
 

Public Member Functions

virtual ~ResidueLevelTask ()
 
virtual ExtraRotSample extrachi_sample_level (bool buried, int chi, chemical::ResidueTypeCOP concrete_residue) const =0
 
virtual void initialize_from_command_line ()=0
 
virtual void initialize_extra_rotamer_flags_from_command_line ()=0
 
virtual void or_include_current (bool include_current)=0
 
virtual bool include_current () const =0
 
virtual void add_behavior (std::string const &behavior)=0
 
virtual bool has_behavior (std::string const &behavior) const =0
 
virtual bool has_behavior () const =0
 
virtual void target_type (chemical::ResidueTypeCOP type)=0
 
virtual void target_type (chemical::AA aa)=0
 
virtual void target_type (std::string name)=0
 
virtual void or_adducts (bool setting)=0
 
virtual bool adducts () const =0
 
virtual void or_ex1 (bool ex1)=0
 
virtual void or_ex2 (bool ex2)=0
 
virtual void or_ex3 (bool ex3)=0
 
virtual void or_ex4 (bool ex4)=0
 
virtual void or_ex1_sample_level (ExtraRotSample ex1_sample_level)=0
 
virtual void or_ex2_sample_level (ExtraRotSample ex2_sample_level)=0
 
virtual void or_ex3_sample_level (ExtraRotSample ex3_sample_level)=0
 
virtual void or_ex4_sample_level (ExtraRotSample ex4_sample_level)=0
 
virtual void or_ex1aro (bool ex1aro)=0
 
virtual void or_ex2aro (bool ex2aro)=0
 
virtual void or_ex1aro_exposed (bool ex1aro_exposed)=0
 
virtual void or_ex2aro_exposed (bool ex2aro_exposed)=0
 
virtual void or_ex1aro_sample_level (ExtraRotSample ex1aro_sample_level)=0
 
virtual void or_ex2aro_sample_level (ExtraRotSample ex2aro_only_sample_level)=0
 
virtual void or_ex1aro_exposed_sample_level (ExtraRotSample ex1aro_exposed_sample_level)=0
 
virtual void or_ex2aro_exposed_sample_level (ExtraRotSample ex2aro_exposed_sample_level)=0
 
virtual void or_exdna_sample_level (ExtraRotSample exdna_sample_level)=0
 
virtual void or_operate_on_ex1 (bool operate)=0
 
virtual void or_operate_on_ex2 (bool operate)=0
 
virtual void or_operate_on_ex3 (bool operate)=0
 
virtual void or_operate_on_ex4 (bool operate)=0
 
virtual bool ex1 () const =0
 
virtual bool ex2 () const =0
 
virtual bool ex3 () const =0
 
virtual bool ex4 () const =0
 
virtual ExtraRotSample ex1_sample_level () const =0
 
virtual ExtraRotSample ex2_sample_level () const =0
 
virtual ExtraRotSample ex3_sample_level () const =0
 
virtual ExtraRotSample ex4_sample_level () const =0
 
virtual bool ex1aro () const =0
 
virtual bool ex2aro () const =0
 
virtual bool ex1aro_exposed () const =0
 
virtual bool ex2aro_exposed () const =0
 
virtual ExtraRotSample ex1aro_sample_level () const =0
 
virtual ExtraRotSample ex2aro_sample_level () const =0
 
virtual ExtraRotSample ex1aro_exposed_sample_level () const =0
 
virtual ExtraRotSample ex2aro_exposed_sample_level () const =0
 
virtual ExtraRotSample exdna_sample_level () const =0
 
virtual bool operate_on_ex1 () const =0
 
virtual bool operate_on_ex2 () const =0
 
virtual bool operate_on_ex3 () const =0
 
virtual bool operate_on_ex4 () const =0
 
virtual void sample_proton_chi (bool setting)=0
 
virtual bool sample_proton_chi () const =0
 
virtual void sample_rna_chi (bool setting)=0
 
virtual bool sample_rna_chi () const =0
 
virtual void or_optimize_h (bool setting)=0
 
virtual bool optimize_h () const =0
 
virtual void or_preserve_c_beta (bool setting)=0
 
virtual bool preserve_c_beta () const =0
 
virtual void or_flip_HNQ (bool setting)=0
 
virtual bool flip_HNQ () const =0
 
virtual void or_fix_his_tautomer (bool setting)=0
 
virtual bool fix_his_tautomer () const =0
 
virtual void and_extrachi_cutoff (Size num_neighbors_to_be_called_buried)=0
 
virtual Size extrachi_cutoff () const =0
 
virtual void prevent_repacking ()=0
 
virtual void restrict_absent_canonical_aas (utility::vector1< bool > const &)=0
 
virtual void restrict_absent_canonical_aas (utility::vector1< bool > const &allowed_aas, std::string const &mode)=0
 
virtual void restrict_nonnative_canonical_aas (utility::vector1< bool > const &allowed_aas)=0
 
virtual void restrict_absent_nas (utility::vector1< chemical::AA > const &keep_nas)=0
 disables designing to nucleic acid residues not in the passed list More...
 
virtual void restrict_to_repacking ()=0
 
virtual bool is_original_type (chemical::ResidueTypeCOP type) const =0
 
virtual
chemical::ResidueTypeSet const & 
get_original_residue_set () const =0
 
virtual chemical::AA const & get_original_residue () const =0
 
virtual void allow_noncanonical_aa (std::string const &aaname, chemical::ResidueTypeSet const &residue_set)=0
 
virtual void allow_noncanonical_aa (std::string const &aaname)=0
 
virtual void allow_noncanonical_aa (chemical::AA aa)=0
 explicitly allow a NCAA; assumes same ResidueTypeSet as original_residue_type_ More...
 
virtual void allow_aa (chemical::AA const &aa)=0
 
virtual ResidueTypeCOPList const & allowed_residue_types () const =0
 
virtual ResidueTypeCOPListConstIter allowed_residue_types_begin () const =0
 
virtual ResidueTypeCOPListConstIter allowed_residue_types_end () const =0
 
virtual chemical::ResidueTypeCOP target_type () const =0
 
virtual void print_allowed_types (std::ostream &os) const =0
 
virtual bool being_designed () const =0
 
virtual bool being_packed () const =0
 
virtual
rotamer_set::RotamerOperations
const & 
rotamer_operations () const =0
 
virtual void append_rotamer_operation (rotamer_set::RotamerOperationOP rotop)=0
 
virtual
rotamer_set::RotSetOperationListIterator 
rotamer_set_operation_begin () const =0
 
virtual
rotamer_set::RotSetOperationListIterator 
rotamer_set_operation_end () const =0
 
virtual void append_rotamerset_operation (rotamer_set::RotamerSetOperationOP rotsetop)=0
 
virtual std::string command_string () const =0
 

Detailed Description

Definition at line 55 of file PackerTask.hh.

Member Typedef Documentation

Definition at line 58 of file PackerTask.hh.

Definition at line 60 of file PackerTask.hh.

Definition at line 59 of file PackerTask.hh.

Constructor & Destructor Documentation

core::pack::task::ResidueLevelTask::~ResidueLevelTask ( )
virtual

Definition at line 24 of file PackerTask.cc.

Member Function Documentation

virtual void core::pack::task::ResidueLevelTask::add_behavior ( std::string const &  behavior)
pure virtual
virtual bool core::pack::task::ResidueLevelTask::adducts ( ) const
pure virtual
virtual void core::pack::task::ResidueLevelTask::allow_aa ( chemical::AA const &  aa)
pure virtual
virtual void core::pack::task::ResidueLevelTask::allow_noncanonical_aa ( std::string const &  aaname,
chemical::ResidueTypeSet const &  residue_set 
)
pure virtual
virtual void core::pack::task::ResidueLevelTask::allow_noncanonical_aa ( std::string const &  aaname)
pure virtual
virtual void core::pack::task::ResidueLevelTask::allow_noncanonical_aa ( chemical::AA  aa)
pure virtual

explicitly allow a NCAA; assumes same ResidueTypeSet as original_residue_type_

Implemented in core::pack::task::ResidueLevelTask_.

virtual ResidueTypeCOPList const& core::pack::task::ResidueLevelTask::allowed_residue_types ( ) const
pure virtual
virtual ResidueTypeCOPListConstIter core::pack::task::ResidueLevelTask::allowed_residue_types_begin ( ) const
pure virtual
virtual ResidueTypeCOPListConstIter core::pack::task::ResidueLevelTask::allowed_residue_types_end ( ) const
pure virtual
virtual void core::pack::task::ResidueLevelTask::and_extrachi_cutoff ( Size  num_neighbors_to_be_called_buried)
pure virtual
virtual void core::pack::task::ResidueLevelTask::append_rotamer_operation ( rotamer_set::RotamerOperationOP  rotop)
pure virtual
virtual void core::pack::task::ResidueLevelTask::append_rotamerset_operation ( rotamer_set::RotamerSetOperationOP  rotsetop)
pure virtual
virtual bool core::pack::task::ResidueLevelTask::being_designed ( ) const
pure virtual
virtual bool core::pack::task::ResidueLevelTask::being_packed ( ) const
pure virtual
virtual std::string core::pack::task::ResidueLevelTask::command_string ( ) const
pure virtual
virtual bool core::pack::task::ResidueLevelTask::ex1 ( ) const
pure virtual
virtual ExtraRotSample core::pack::task::ResidueLevelTask::ex1_sample_level ( ) const
pure virtual
virtual bool core::pack::task::ResidueLevelTask::ex1aro ( ) const
pure virtual
virtual bool core::pack::task::ResidueLevelTask::ex1aro_exposed ( ) const
pure virtual
virtual ExtraRotSample core::pack::task::ResidueLevelTask::ex1aro_exposed_sample_level ( ) const
pure virtual
virtual ExtraRotSample core::pack::task::ResidueLevelTask::ex1aro_sample_level ( ) const
pure virtual
virtual bool core::pack::task::ResidueLevelTask::ex2 ( ) const
pure virtual
virtual ExtraRotSample core::pack::task::ResidueLevelTask::ex2_sample_level ( ) const
pure virtual
virtual bool core::pack::task::ResidueLevelTask::ex2aro ( ) const
pure virtual
virtual bool core::pack::task::ResidueLevelTask::ex2aro_exposed ( ) const
pure virtual
virtual ExtraRotSample core::pack::task::ResidueLevelTask::ex2aro_exposed_sample_level ( ) const
pure virtual
virtual ExtraRotSample core::pack::task::ResidueLevelTask::ex2aro_sample_level ( ) const
pure virtual
virtual bool core::pack::task::ResidueLevelTask::ex3 ( ) const
pure virtual
virtual ExtraRotSample core::pack::task::ResidueLevelTask::ex3_sample_level ( ) const
pure virtual
virtual bool core::pack::task::ResidueLevelTask::ex4 ( ) const
pure virtual
virtual ExtraRotSample core::pack::task::ResidueLevelTask::ex4_sample_level ( ) const
pure virtual
virtual ExtraRotSample core::pack::task::ResidueLevelTask::exdna_sample_level ( ) const
pure virtual
virtual Size core::pack::task::ResidueLevelTask::extrachi_cutoff ( ) const
pure virtual
virtual ExtraRotSample core::pack::task::ResidueLevelTask::extrachi_sample_level ( bool  buried,
int  chi,
chemical::ResidueTypeCOP  concrete_residue 
) const
pure virtual
virtual bool core::pack::task::ResidueLevelTask::fix_his_tautomer ( ) const
pure virtual
virtual bool core::pack::task::ResidueLevelTask::flip_HNQ ( ) const
pure virtual
virtual chemical::AA const& core::pack::task::ResidueLevelTask::get_original_residue ( ) const
pure virtual
virtual chemical::ResidueTypeSet const& core::pack::task::ResidueLevelTask::get_original_residue_set ( ) const
pure virtual
virtual bool core::pack::task::ResidueLevelTask::has_behavior ( std::string const &  behavior) const
pure virtual
virtual bool core::pack::task::ResidueLevelTask::has_behavior ( ) const
pure virtual
virtual bool core::pack::task::ResidueLevelTask::include_current ( ) const
pure virtual
virtual void core::pack::task::ResidueLevelTask::initialize_extra_rotamer_flags_from_command_line ( )
pure virtual
virtual void core::pack::task::ResidueLevelTask::initialize_from_command_line ( )
pure virtual
virtual bool core::pack::task::ResidueLevelTask::is_original_type ( chemical::ResidueTypeCOP  type) const
pure virtual
virtual bool core::pack::task::ResidueLevelTask::operate_on_ex1 ( ) const
pure virtual
virtual bool core::pack::task::ResidueLevelTask::operate_on_ex2 ( ) const
pure virtual
virtual bool core::pack::task::ResidueLevelTask::operate_on_ex3 ( ) const
pure virtual
virtual bool core::pack::task::ResidueLevelTask::operate_on_ex4 ( ) const
pure virtual
virtual bool core::pack::task::ResidueLevelTask::optimize_h ( ) const
pure virtual
virtual void core::pack::task::ResidueLevelTask::or_adducts ( bool  setting)
pure virtual
virtual void core::pack::task::ResidueLevelTask::or_ex1 ( bool  ex1)
pure virtual
virtual void core::pack::task::ResidueLevelTask::or_ex1_sample_level ( ExtraRotSample  ex1_sample_level)
pure virtual
virtual void core::pack::task::ResidueLevelTask::or_ex1aro ( bool  ex1aro)
pure virtual
virtual void core::pack::task::ResidueLevelTask::or_ex1aro_exposed ( bool  ex1aro_exposed)
pure virtual
virtual void core::pack::task::ResidueLevelTask::or_ex1aro_exposed_sample_level ( ExtraRotSample  ex1aro_exposed_sample_level)
pure virtual
virtual void core::pack::task::ResidueLevelTask::or_ex1aro_sample_level ( ExtraRotSample  ex1aro_sample_level)
pure virtual
virtual void core::pack::task::ResidueLevelTask::or_ex2 ( bool  ex2)
pure virtual
virtual void core::pack::task::ResidueLevelTask::or_ex2_sample_level ( ExtraRotSample  ex2_sample_level)
pure virtual
virtual void core::pack::task::ResidueLevelTask::or_ex2aro ( bool  ex2aro)
pure virtual
virtual void core::pack::task::ResidueLevelTask::or_ex2aro_exposed ( bool  ex2aro_exposed)
pure virtual
virtual void core::pack::task::ResidueLevelTask::or_ex2aro_exposed_sample_level ( ExtraRotSample  ex2aro_exposed_sample_level)
pure virtual
virtual void core::pack::task::ResidueLevelTask::or_ex2aro_sample_level ( ExtraRotSample  ex2aro_only_sample_level)
pure virtual
virtual void core::pack::task::ResidueLevelTask::or_ex3 ( bool  ex3)
pure virtual
virtual void core::pack::task::ResidueLevelTask::or_ex3_sample_level ( ExtraRotSample  ex3_sample_level)
pure virtual
virtual void core::pack::task::ResidueLevelTask::or_ex4 ( bool  ex4)
pure virtual
virtual void core::pack::task::ResidueLevelTask::or_ex4_sample_level ( ExtraRotSample  ex4_sample_level)
pure virtual
virtual void core::pack::task::ResidueLevelTask::or_exdna_sample_level ( ExtraRotSample  exdna_sample_level)
pure virtual
virtual void core::pack::task::ResidueLevelTask::or_fix_his_tautomer ( bool  setting)
pure virtual
virtual void core::pack::task::ResidueLevelTask::or_flip_HNQ ( bool  setting)
pure virtual
virtual void core::pack::task::ResidueLevelTask::or_include_current ( bool  include_current)
pure virtual
virtual void core::pack::task::ResidueLevelTask::or_operate_on_ex1 ( bool  operate)
pure virtual
virtual void core::pack::task::ResidueLevelTask::or_operate_on_ex2 ( bool  operate)
pure virtual
virtual void core::pack::task::ResidueLevelTask::or_operate_on_ex3 ( bool  operate)
pure virtual
virtual void core::pack::task::ResidueLevelTask::or_operate_on_ex4 ( bool  operate)
pure virtual
virtual void core::pack::task::ResidueLevelTask::or_optimize_h ( bool  setting)
pure virtual
virtual void core::pack::task::ResidueLevelTask::or_preserve_c_beta ( bool  setting)
pure virtual
virtual bool core::pack::task::ResidueLevelTask::preserve_c_beta ( ) const
pure virtual
virtual void core::pack::task::ResidueLevelTask::prevent_repacking ( )
pure virtual

Implemented in core::pack::task::ResidueLevelTask_.

Referenced by protocols::toolbox::task_operations::SelectBySASAOperation::apply(), protocols::dna::RestrictDesignToProteinDNAInterface::apply(), protocols::enzdes::SetCatalyticResPackBehavior::apply(), core::pack::task::operation::ReplicateTask::apply(), protocols::toolbox::task_operations::RestrictToTerminiOperation::apply(), protocols::toolbox::task_operations::RestrictNativeResiduesOperation::apply(), core::pack::task::operation::DockingNoRepack1::apply(), core::pack::task::operation::NoRepackDisulfides::apply(), core::pack::task::operation::OptH::apply(), core::pack::task::operation::PreventRepackingRLT::apply(), protocols::enzdes::DetectProteinLigandInterface::apply(), core::pack::task::operation::DockingNoRepack2::apply(), protocols::flxbb::LayerDesignOperation::apply(), core::pack::task::operation::RestrictToInterface::apply(), core::pack::task::operation::PreventRepacking::apply(), core::pack::make_new_symmetric_PackerTask_by_intersection(), core::pack::make_new_symmetric_PackerTask_by_union(), core::pack::task::NATRO::residue_action(), protocols::protein_interface_design::movers::ProteinInterfaceMultiStateDesignMover::restrict_sequence_profile(), protocols::simple_moves::symmetry::SymEnergyCutRotamerTrialsMover::setup_energycut_task(), protocols::simple_moves::EnergyCutRotamerTrialsMover::setup_energycut_task(), protocols::simple_moves::EnergyCutRotamerTrialsMinMover::setup_energycut_task(), and core::pack::task::operation::RestrictToInterface::symmetric_task().

virtual void core::pack::task::ResidueLevelTask::print_allowed_types ( std::ostream &  os) const
pure virtual
virtual void core::pack::task::ResidueLevelTask::restrict_absent_canonical_aas ( utility::vector1< bool > const &  )
pure virtual
virtual void core::pack::task::ResidueLevelTask::restrict_absent_canonical_aas ( utility::vector1< bool > const &  allowed_aas,
std::string const &  mode 
)
pure virtual
virtual void core::pack::task::ResidueLevelTask::restrict_absent_nas ( utility::vector1< chemical::AA > const &  keep_nas)
pure virtual

disables designing to nucleic acid residues not in the passed list

Implemented in core::pack::task::ResidueLevelTask_.

Referenced by core::pack::task::PIKNA::residue_action().

virtual void core::pack::task::ResidueLevelTask::restrict_nonnative_canonical_aas ( utility::vector1< bool > const &  allowed_aas)
pure virtual
virtual void core::pack::task::ResidueLevelTask::restrict_to_repacking ( )
pure virtual
virtual rotamer_set::RotamerOperations const& core::pack::task::ResidueLevelTask::rotamer_operations ( ) const
pure virtual
virtual rotamer_set::RotSetOperationListIterator core::pack::task::ResidueLevelTask::rotamer_set_operation_begin ( ) const
pure virtual
virtual rotamer_set::RotSetOperationListIterator core::pack::task::ResidueLevelTask::rotamer_set_operation_end ( ) const
pure virtual
virtual void core::pack::task::ResidueLevelTask::sample_proton_chi ( bool  setting)
pure virtual
virtual bool core::pack::task::ResidueLevelTask::sample_proton_chi ( ) const
pure virtual
virtual void core::pack::task::ResidueLevelTask::sample_rna_chi ( bool  setting)
pure virtual
virtual bool core::pack::task::ResidueLevelTask::sample_rna_chi ( ) const
pure virtual
virtual void core::pack::task::ResidueLevelTask::target_type ( chemical::ResidueTypeCOP  type)
pure virtual
virtual void core::pack::task::ResidueLevelTask::target_type ( chemical::AA  aa)
pure virtual
virtual void core::pack::task::ResidueLevelTask::target_type ( std::string  name)
pure virtual
virtual chemical::ResidueTypeCOP core::pack::task::ResidueLevelTask::target_type ( ) const
pure virtual

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