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Rosetta 3.5
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#include <GreedyOptMutationMover.hh>


Public Types | |
| typedef core::pose::Pose | Pose |
Public Types inherited from protocols::moves::Mover | |
| typedef utility::tag::TagPtr | TagPtr |
| typedef core::pose::Pose | Pose |
| typedef core::pose::PoseCOP | PoseCOP |
| typedef protocols::filters::Filters_map | Filters_map |
| typedef std::list< std::string > | Strings |
Public Member Functions | |
| GreedyOptMutationMover () | |
| default ctor More... | |
| GreedyOptMutationMover (core::pack::task::TaskFactoryOP task_factory, core::scoring::ScoreFunctionOP scorefxn, protocols::moves::MoverOP relax_mover, utility::vector1< protocols::filters::FilterOP > filters, utility::vector1< std::string > sample_types, utility::vector1< core::Real > filter_deltas, bool dump_pdb=false, bool dump_table=false, bool parallel=false, bool stop_before_condition=false, bool skip_best_check=false, bool rtmin=false, bool shuffle_order=false, protocols::filters::FilterOP stopping_condition=protocols::filters::FilterOP(NULL)) | |
| bool | pose_coords_are_same (core::pose::Pose const &pose1, core::pose::Pose const &pose2) |
| void | filter_seqpos_pareto_opt_ptmuts () |
| void | clear_cached_data () |
| void | calc_pfront_poses_filter_ranks () |
| void | dump_scoring_table (std::string filename, core::pose::Pose const &ref_pose) const |
| void | apply (Pose &pose) |
| protocols::moves::MoverOP | clone () const |
| clone has to be overridden only if clone invocation is expected. More... | |
| virtual std::string | get_name () const |
| Each derived class must specify its name. The class name. More... | |
| protocols::moves::MoverOP | fresh_instance () const |
| this is like clone(), except it generates a new mover object freshly created with the default ctor. This function should be pure virtual but that would disrupt the code base; MAKE SURE YOU DEFINE IT if you want to have your mover be a protocol handed to the job distributor (august 08 vintage). More... | |
| void | parse_my_tag (utility::tag::TagPtr const tag, protocols::moves::DataMap &, protocols::filters::Filters_map const &, protocols::moves::Movers_map const &, core::pose::Pose const &) |
| Called by MoverFactory when constructing new Movers. Takes care of the specific mover's parsing. More... | |
| void | add_filter (protocols::filters::FilterOP, std::string const sample_type, core::Real filter_delta) |
| virtual | ~GreedyOptMutationMover () |
| core::pack::task::TaskFactoryOP | task_factory () const |
| void | task_factory (core::pack::task::TaskFactoryOP task_factory) |
| core::scoring::ScoreFunctionOP | scorefxn () const |
| void | scorefxn (core::scoring::ScoreFunctionOP scorefxn) |
| utility::vector1 < protocols::filters::FilterOP > | filters () const |
| void | filters (utility::vector1< protocols::filters::FilterOP > filters) |
| protocols::moves::MoverOP | relax_mover () const |
| void | relax_mover (protocols::moves::MoverOP relax_mover) |
| bool | dump_pdb () const |
| void | dump_pdb (bool const dump_pdb) |
| bool | dump_table () const |
| void | dump_table (bool const dump_table) |
| bool | parallel () const |
| void | parallel (bool const parallel) |
| utility::vector1< std::string > | sample_types () const |
| void | sample_types (utility::vector1< std::string > const sample_types) |
| utility::vector1< core::Real > | filter_deltas () const |
| void | filter_deltas (utility::vector1< core::Real > const filter_deltas) |
| void | stopping_condition (protocols::filters::FilterOP f) |
| protocols::filters::FilterOP | stopping_condition () const |
| bool | stop_before_condition () const |
| void | stop_before_condition (bool const stop_before_condition) |
| bool | skip_best_check () const |
| void | skip_best_check (bool const skip_best_check) |
| utility::vector1 < protocols::simple_filters::DeltaFilterOP > | delta_filters () const |
| void | delta_filters (utility::vector1< protocols::simple_filters::DeltaFilterOP > const d) |
| bool | rtmin () const |
| void | rtmin (bool const b) |
| bool | shuffle_order () const |
| void | shuffle_order (bool const b) |
Public Member Functions inherited from protocols::moves::Mover | |
| Mover () | |
| virtual | ~Mover () |
| virtual MoverSP | create () |
| virtual void | apply (core::io::serialization::PipeMap &pmap) |
| virtual void | parse_state (SerializableState const &state) |
| virtual void | parse_def (utility::lua::LuaObject const &def, utility::lua::LuaObject const &score_fxns, utility::lua::LuaObject const &tasks, MoverCacheSP cache) |
| virtual void | save_state (SerializableState &state) |
| Mover (std::string const &type_name) | |
| sets the type for a mover; name_ has been removed (2010/05/14) More... | |
| Mover (Mover const &other) | |
| Mover & | operator= (Mover const &other) |
| assignment operator More... | |
| virtual core::Real | last_proposal_density_ratio () |
| std::string const & | type () const |
| std::string | get_current_tag () const |
| A tag is a unique identifier used to identify structures produced by this Mover. get_current_tag() returns the tag, and set_current_tag( std::string tag ) sets the tag. This functionality is not intended for use with the 2008 job distributor. More... | |
| void | set_current_tag (std::string const &new_tag) |
| virtual void | set_input_pose (PoseCOP pose) |
| setter for poses contained for rms More... | |
| virtual void | set_native_pose (PoseCOP pose) |
| setter for native poses contained for rms -— we should get rid of this method? it is widely used, but a bit unsafe More... | |
| PoseCOP | get_input_pose () const |
| PoseCOP | get_native_pose () const |
| virtual void | test_move (Pose &pose) |
| : Unit test support function. Apply one move to a given pose. Allows extra test specific functions to be called before applying More... | |
| void | type (const std::string &type_in) |
| std::string | get_type () const |
| MoverStatus | get_last_move_status () const |
| end parser interface, start Job Distributor interface///////////// More... | |
| void | reset_status () |
| resets status to SUCCESS, meant to be used before an apply(). The job distributor (august 08 vintage) uses this to ensure non-accumulation of status across apply()s. More... | |
| virtual core::pose::PoseOP | get_additional_output () |
| Mechanism by which a mover may return multiple output poses from a single input pose. More... | |
| virtual void | clear_info () |
| Strings container can be used to return miscellaneous info (as std::string) from a mover, such as notes about the results of apply(). The job distributor (Apr 09 vintage) will check this function to see if your protocol wants to add string info to the Job that ran this mover. One way this can be useful is that later, a JobOutputter may include/append this info to an output file. More... | |
| virtual Strings & | info () |
| non-const accessor More... | |
| virtual Strings const & | info () const |
| const accessor More... | |
| virtual bool | reinitialize_for_each_job () const |
| this function informs the job distributor (august 08 vintage) whether this object needs to be freshly regenerated on each use. More... | |
| virtual bool | reinitialize_for_new_input () const |
| this function informs the job distributor (august 08 vintage) whether this object needs to be regenerated when the input pose is about to change (for example, if the mover has special code on the first apply() that is only valid for that one input pose). More... | |
| void | set_current_job (protocols::jobdist::BasicJobCOP job) |
| jobdist::BasicJobCOP | get_current_job () const |
Additional Inherited Members | |
Static Public Member Functions inherited from protocols::moves::Mover | |
| static std::string | name () |
| static void | register_options () |
| overload this static method if you access options within the mover. these options will end up in -help of your application if users of this mover call register_options. do this recursively! if you use movers within your mover, call their register_options in your register_options() method. More... | |
Protected Member Functions inherited from protocols::moves::Mover | |
| void | set_last_move_status (MoverStatus status) |
| nonvirtual setter for MoverStatus last_status_. Protected means that only the mover itself will be able to change its own status. The job distributor (august 08 vintage) is aware of status set with this function and will do what the MoverStatus says. More... | |
Definition at line 34 of file GreedyOptMutationMover.hh.
Definition at line 37 of file GreedyOptMutationMover.hh.
| protocols::design_opt::GreedyOptMutationMover::GreedyOptMutationMover | ( | ) |
| protocols::design_opt::GreedyOptMutationMover::GreedyOptMutationMover | ( | core::pack::task::TaskFactoryOP | task_factory, |
| core::scoring::ScoreFunctionOP | scorefxn, | ||
| protocols::moves::MoverOP | relax_mover, | ||
| utility::vector1< protocols::filters::FilterOP > | filters, | ||
| utility::vector1< std::string > | sample_types, | ||
| utility::vector1< core::Real > | filter_deltas, | ||
| bool | dump_pdb = false, |
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| bool | dump_table = false, |
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| bool | parallel = false, |
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| bool | stop_before_condition = false, |
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| bool | skip_best_check = false, |
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| bool | rtmin = false, |
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| bool | shuffle_order = false, |
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| protocols::filters::FilterOP | stopping_condition = protocols::filters::FilterOP(NULL) |
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| ) |
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virtual |
Definition at line 125 of file GreedyOptMutationMover.cc.
| void protocols::design_opt::GreedyOptMutationMover::add_filter | ( | protocols::filters::FilterOP | filter, |
| std::string const | sample_type, | ||
| core::Real | filter_delta | ||
| ) |
Definition at line 683 of file GreedyOptMutationMover.cc.
References filter_deltas_, filters_, and sample_types_.
Referenced by parse_my_tag().
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virtual |
Implements protocols::moves::Mover.
Definition at line 500 of file GreedyOptMutationMover.cc.
References calc_pfront_poses_filter_ranks(), clear_cached_data(), protocols::design_opt::cmp_pair_by_first_vec_val(), protocols::design_opt::cmp_pair_vec_by_first_vec_val(), protocols::jd2::current_output_name(), dump_pdb(), dump_scoring_table(), dump_table(), core::pose::Pose::empty(), protocols::design_opt::filter_pareto_opt_poses(), filter_seqpos_pareto_opt_ptmuts(), filters(), protocols::jd2::jd2_used(), core::conformation::Residue::name1(), nstruct_iter_, parallel(), pfront_poses_, pfront_poses_filter_ranks_, pfront_poses_filter_vals_, pose_coords_are_same(), ref_pose_, relax_mover(), reset_delta_filters_, core::pose::Pose::residue(), protocols::design_opt::RG(), sample_types(), scorefxn(), seqpos_aa_vals_vec_, shuffle_order(), skip_best_check(), protocols::loops::stop, stop_before_condition(), stopping_condition(), and task_factory().
| void protocols::design_opt::GreedyOptMutationMover::calc_pfront_poses_filter_ranks | ( | ) |
Definition at line 361 of file GreedyOptMutationMover.cc.
References protocols::design_opt::cmp_pair_by_second(), pfront_poses_filter_ranks_, and pfront_poses_filter_vals_.
Referenced by apply().
| void protocols::design_opt::GreedyOptMutationMover::clear_cached_data | ( | ) |
Definition at line 328 of file GreedyOptMutationMover.cc.
References core::pose::Pose::clear(), pfront_poses_, pfront_poses_filter_ranks_, pfront_poses_filter_vals_, ref_pose_, and seqpos_aa_vals_vec_.
Referenced by apply(), dump_pdb(), dump_table(), filter_deltas(), filters(), relax_mover(), scorefxn(), and task_factory().
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virtual |
clone has to be overridden only if clone invocation is expected.
clone is meant to return an OP'ed deep copy of this object. This really should be a pure virtual in the base class, but adding pure virtuals to Mover would massively disrupt the code. This default implementation crashes at runtime instead of compiletime if you try to call it. If this code is causing you problems, your Mover needs to override this function.
Reimplemented from protocols::moves::Mover.
Definition at line 134 of file GreedyOptMutationMover.cc.
References GreedyOptMutationMover().
| utility::vector1< protocols::simple_filters::DeltaFilterOP > protocols::design_opt::GreedyOptMutationMover::delta_filters | ( | ) | const |
Definition at line 250 of file GreedyOptMutationMover.cc.
References reset_delta_filters_.
| void protocols::design_opt::GreedyOptMutationMover::delta_filters | ( | utility::vector1< protocols::simple_filters::DeltaFilterOP > const | d) |
Definition at line 255 of file GreedyOptMutationMover.cc.
References reset_delta_filters_.
| bool protocols::design_opt::GreedyOptMutationMover::dump_pdb | ( | ) | const |
Definition at line 198 of file GreedyOptMutationMover.cc.
References dump_pdb_.
Referenced by apply(), dump_pdb(), and parse_my_tag().
| void protocols::design_opt::GreedyOptMutationMover::dump_pdb | ( | bool const | dump_pdb) |
Definition at line 192 of file GreedyOptMutationMover.cc.
References clear_cached_data(), dump_pdb(), and dump_pdb_.
| void protocols::design_opt::GreedyOptMutationMover::dump_scoring_table | ( | std::string | filename, |
| core::pose::Pose const & | ref_pose | ||
| ) | const |
Definition at line 471 of file GreedyOptMutationMover.cc.
References core::pose::Pose::aa(), core::pose::Pose::pdb_info(), and seqpos_aa_vals_vec_.
Referenced by apply().
| bool protocols::design_opt::GreedyOptMutationMover::dump_table | ( | ) | const |
Definition at line 209 of file GreedyOptMutationMover.cc.
References dump_table_.
Referenced by apply(), dump_table(), and parse_my_tag().
| void protocols::design_opt::GreedyOptMutationMover::dump_table | ( | bool const | dump_table) |
Definition at line 203 of file GreedyOptMutationMover.cc.
References clear_cached_data(), dump_table(), and dump_table_.
| vector1< core::Real > protocols::design_opt::GreedyOptMutationMover::filter_deltas | ( | ) | const |
Definition at line 277 of file GreedyOptMutationMover.cc.
References filter_deltas_.
Referenced by filter_deltas().
| void protocols::design_opt::GreedyOptMutationMover::filter_deltas | ( | utility::vector1< core::Real > const | filter_deltas) |
Definition at line 271 of file GreedyOptMutationMover.cc.
References clear_cached_data(), filter_deltas(), and filter_deltas_.
| void protocols::design_opt::GreedyOptMutationMover::filter_seqpos_pareto_opt_ptmuts | ( | ) |
Definition at line 425 of file GreedyOptMutationMover.cc.
References protocols::design_opt::calc_pareto_front(), and seqpos_aa_vals_vec_.
Referenced by apply().
| vector1< protocols::filters::FilterOP > protocols::design_opt::GreedyOptMutationMover::filters | ( | ) | const |
Definition at line 174 of file GreedyOptMutationMover.cc.
References filters_.
| void protocols::design_opt::GreedyOptMutationMover::filters | ( | utility::vector1< protocols::filters::FilterOP > | filters) |
Definition at line 169 of file GreedyOptMutationMover.cc.
References clear_cached_data(), filters(), and filters_.
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inlinevirtual |
this is like clone(), except it generates a new mover object freshly created with the default ctor. This function should be pure virtual but that would disrupt the code base; MAKE SURE YOU DEFINE IT if you want to have your mover be a protocol handed to the job distributor (august 08 vintage).
fresh_instance is meant to return a new object of this class, created with the default constructor. This really should be a pure virtual in the base class, but adding pure virtuals to Mover would massively disrupt the code. This default implementation crashes at runtime instead of compiletime if you try to call it. If this code is causing you problems, your Mover needs to override this function. This is used by the August 08 job distributor.
Reimplemented from protocols::moves::Mover.
Definition at line 65 of file GreedyOptMutationMover.hh.
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virtual |
Each derived class must specify its name. The class name.
Implements protocols::moves::Mover.
Definition at line 152 of file GreedyOptMutationMover.cc.
References protocols::design_opt::GreedyOptMutationMoverCreator::mover_name().
| bool protocols::design_opt::GreedyOptMutationMover::parallel | ( | ) | const |
Definition at line 298 of file GreedyOptMutationMover.cc.
References parallel_.
Referenced by apply(), parallel(), and parse_my_tag().
| void protocols::design_opt::GreedyOptMutationMover::parallel | ( | bool const | parallel) |
Definition at line 293 of file GreedyOptMutationMover.cc.
References parallel(), and parallel_.
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virtual |
Called by MoverFactory when constructing new Movers. Takes care of the specific mover's parsing.
Some movers need not be parsed, so we shouldn't stop executions. This, however, calls attention to the lack of this method, which could be due to something as silly as a wrong parameters definition.
Reimplemented from protocols::moves::Mover.
Definition at line 694 of file GreedyOptMutationMover.cc.
References add_filter(), design_shell_, dump_pdb(), dump_table(), filters_, parallel(), protocols::rosetta_scripts::parse_filter(), protocols::rosetta_scripts::parse_score_function(), protocols::rosetta_scripts::parse_task_operations(), relax_mover(), repack_shell_, reset_delta_filters_, rtmin(), scorefxn(), shuffle_order(), skip_best_check(), stop_before_condition(), stopping_condition(), and task_factory().
| bool protocols::design_opt::GreedyOptMutationMover::pose_coords_are_same | ( | core::pose::Pose const & | pose1, |
| core::pose::Pose const & | pose2 | ||
| ) |
Definition at line 338 of file GreedyOptMutationMover.cc.
References core::pose::Pose::conformation(), core::pose::Pose::residue(), core::conformation::Conformation::sequence_matches(), and core::pose::Pose::total_residue().
Referenced by apply().
| protocols::moves::MoverOP protocols::design_opt::GreedyOptMutationMover::relax_mover | ( | ) | const |
Definition at line 164 of file GreedyOptMutationMover.cc.
References relax_mover_.
Referenced by apply(), and parse_my_tag().
| void protocols::design_opt::GreedyOptMutationMover::relax_mover | ( | protocols::moves::MoverOP | relax_mover) |
Definition at line 158 of file GreedyOptMutationMover.cc.
References clear_cached_data(), and relax_mover_.
| bool protocols::design_opt::GreedyOptMutationMover::rtmin | ( | ) | const |
Definition at line 239 of file GreedyOptMutationMover.cc.
References rtmin_.
Referenced by parse_my_tag().
| void protocols::design_opt::GreedyOptMutationMover::rtmin | ( | bool const | b) |
Definition at line 234 of file GreedyOptMutationMover.cc.
References protocols::match::upstream::b, and rtmin_.
| vector1< std::string > protocols::design_opt::GreedyOptMutationMover::sample_types | ( | ) | const |
Definition at line 266 of file GreedyOptMutationMover.cc.
References sample_types_.
Referenced by apply().
| void protocols::design_opt::GreedyOptMutationMover::sample_types | ( | utility::vector1< std::string > const | sample_types) |
| core::scoring::ScoreFunctionOP protocols::design_opt::GreedyOptMutationMover::scorefxn | ( | ) | const |
Definition at line 288 of file GreedyOptMutationMover.cc.
References scorefxn_.
Referenced by apply(), parse_my_tag(), and scorefxn().
| void protocols::design_opt::GreedyOptMutationMover::scorefxn | ( | core::scoring::ScoreFunctionOP | scorefxn) |
Definition at line 282 of file GreedyOptMutationMover.cc.
References clear_cached_data(), scorefxn(), and scorefxn_.
| bool protocols::design_opt::GreedyOptMutationMover::shuffle_order | ( | ) | const |
Definition at line 247 of file GreedyOptMutationMover.cc.
References shuffle_order_.
Referenced by apply(), and parse_my_tag().
| void protocols::design_opt::GreedyOptMutationMover::shuffle_order | ( | bool const | b) |
Definition at line 242 of file GreedyOptMutationMover.cc.
References protocols::match::upstream::b, and shuffle_order_.
| bool protocols::design_opt::GreedyOptMutationMover::skip_best_check | ( | ) | const |
Definition at line 229 of file GreedyOptMutationMover.cc.
References skip_best_check_.
Referenced by apply(), parse_my_tag(), and skip_best_check().
| void protocols::design_opt::GreedyOptMutationMover::skip_best_check | ( | bool const | skip_best_check) |
Definition at line 224 of file GreedyOptMutationMover.cc.
References skip_best_check(), and skip_best_check_.
| bool protocols::design_opt::GreedyOptMutationMover::stop_before_condition | ( | ) | const |
Definition at line 219 of file GreedyOptMutationMover.cc.
References stop_before_condition_.
Referenced by apply(), parse_my_tag(), and stop_before_condition().
| void protocols::design_opt::GreedyOptMutationMover::stop_before_condition | ( | bool const | stop_before_condition) |
Definition at line 214 of file GreedyOptMutationMover.cc.
References stop_before_condition(), and stop_before_condition_.
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inline |
Definition at line 92 of file GreedyOptMutationMover.hh.
References stopping_condition_.
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inline |
Definition at line 93 of file GreedyOptMutationMover.hh.
References stopping_condition_.
Referenced by apply(), and parse_my_tag().
| core::pack::task::TaskFactoryOP protocols::design_opt::GreedyOptMutationMover::task_factory | ( | ) | const |
Definition at line 186 of file GreedyOptMutationMover.cc.
References task_factory_.
Referenced by apply(), parse_my_tag(), and task_factory().
| void protocols::design_opt::GreedyOptMutationMover::task_factory | ( | core::pack::task::TaskFactoryOP | task_factory) |
Definition at line 179 of file GreedyOptMutationMover.cc.
References clear_cached_data(), task_factory(), and task_factory_.
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Definition at line 127 of file GreedyOptMutationMover.hh.
Referenced by parse_my_tag().
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Definition at line 111 of file GreedyOptMutationMover.hh.
Referenced by dump_pdb().
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Definition at line 112 of file GreedyOptMutationMover.hh.
Referenced by dump_table().
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Definition at line 117 of file GreedyOptMutationMover.hh.
Referenced by add_filter(), and filter_deltas().
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Definition at line 108 of file GreedyOptMutationMover.hh.
Referenced by add_filter(), filters(), and parse_my_tag().
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Definition at line 122 of file GreedyOptMutationMover.hh.
Referenced by apply().
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Definition at line 113 of file GreedyOptMutationMover.hh.
Referenced by parallel().
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Definition at line 119 of file GreedyOptMutationMover.hh.
Referenced by apply(), and clear_cached_data().
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Definition at line 121 of file GreedyOptMutationMover.hh.
Referenced by apply(), calc_pfront_poses_filter_ranks(), and clear_cached_data().
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Definition at line 120 of file GreedyOptMutationMover.hh.
Referenced by apply(), calc_pfront_poses_filter_ranks(), and clear_cached_data().
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Definition at line 118 of file GreedyOptMutationMover.hh.
Referenced by apply(), and clear_cached_data().
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Definition at line 109 of file GreedyOptMutationMover.hh.
Referenced by relax_mover().
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Definition at line 128 of file GreedyOptMutationMover.hh.
Referenced by parse_my_tag().
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Definition at line 125 of file GreedyOptMutationMover.hh.
Referenced by apply(), delta_filters(), and parse_my_tag().
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Definition at line 126 of file GreedyOptMutationMover.hh.
Referenced by rtmin().
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Definition at line 110 of file GreedyOptMutationMover.hh.
Referenced by add_filter(), and sample_types().
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Definition at line 107 of file GreedyOptMutationMover.hh.
Referenced by scorefxn().
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Definition at line 116 of file GreedyOptMutationMover.hh.
Referenced by apply(), clear_cached_data(), dump_scoring_table(), and filter_seqpos_pareto_opt_ptmuts().
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Definition at line 129 of file GreedyOptMutationMover.hh.
Referenced by shuffle_order().
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Definition at line 124 of file GreedyOptMutationMover.hh.
Referenced by skip_best_check().
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Definition at line 123 of file GreedyOptMutationMover.hh.
Referenced by stop_before_condition().
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Definition at line 114 of file GreedyOptMutationMover.hh.
Referenced by stopping_condition().
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Definition at line 106 of file GreedyOptMutationMover.hh.
Referenced by task_factory().
1.8.4