Rosetta 3.5
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#include <LoopHashMoverWrapper.hh>
Public Member Functions | |
LoopHashMoverWrapper () | |
void | apply (core::pose::Pose &pose) |
core::pose::PoseOP | get_additional_output () |
Mechanism by which a mover may return multiple output poses from a single input pose. More... | |
virtual std::string | get_name () const |
Each derived class must specify its name. The class name. 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... | |
protocols::moves::MoverOP | clone () const |
clone has to be overridden only if clone invocation is expected. 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... | |
virtual | ~LoopHashMoverWrapper () |
Real | min_bbrms () const |
void | min_bbrms (Real const min_bbrms) |
Real | max_bbrms () const |
void | max_bbrms (Real const max_bbrms) |
Real | min_rms () const |
void | min_rms (Real const min_rms) |
Real | max_rms () const |
void | max_rms (Real const max_rms) |
Size | max_nstruct () const |
void | max_nstruct (Size const max_nstruct) |
utility::vector1< Size > | loop_sizes () const |
void | add_loop_size (Size const loop_size) |
void | cenfilter (protocols::filters::FilterOP cenfilter) |
void | fafilter (protocols::filters::FilterOP fafilter) |
void | ranking_fafilter (protocols::filters::FilterOP ranking_fafilter) |
void | ranking_cenfilter (protocols::filters::FilterOP filter) |
protocols::filters::FilterOP | ranking_cenfilter () const |
void | relax_mover (protocols::relax::FastRelaxOP relax_mover) |
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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 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 | |
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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 |
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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... | |
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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... | |
protocols::loophash::LoopHashMoverWrapper::LoopHashMoverWrapper | ( | ) |
References loop_sizes_.
Referenced by clone().
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void protocols::loophash::LoopHashMoverWrapper::add_loop_size | ( | Size const | loop_size) |
References loop_sizes_.
Referenced by parse_my_tag().
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Implements protocols::moves::Mover.
References core::chemical::ResidueType::aa(), core::chemical::aa_vrt, core::pose::add_comment(), all_structs_, core::pose::Pose::batch_set_xyz(), batch_size_, protocols::loophash::LoopHashSampler::build_structures(), cenfilter_, core::chemical::CENTROID, core::pose::symmetry::extract_asymmetric_unit(), core::chemical::FA_STANDARD, fafilter_, protocols::moves::FAIL_RETRY, fastrelax_, filter_by_phipsi_, core::io::silent::SilentStructFactory::get_instance(), core::io::silent::SilentStructFactory::get_silent_struct(), core::io::silent::SilentStructFactory::get_silent_struct_out(), ideal_, core::pose::symmetry::is_symmetric(), library_, max_bbrms(), max_nstruct(), max_radius_, max_rms(), max_struct_, max_struct_per_radius_, min_bbrms(), min_rms(), core::chemical::ResidueType::natoms(), ncentroid_, nfullatom_, nprefilter_, prefilter_scorefxn_, ranking_cenfilter(), ranking_fafilter_, core::pose::Pose::residue_type(), RG(), sample_weight_const_, protocols::loophash::LoopHashSampler::set_filter_by_phipsi(), protocols::moves::Mover::set_last_move_status(), protocols::loophash::LoopHashSampler::set_max_bbrms(), protocols::loophash::LoopHashSampler::set_max_nstruct(), protocols::loophash::LoopHashSampler::set_max_radius(), protocols::loophash::LoopHashSampler::set_max_rms(), protocols::loophash::LoopHashSampler::set_max_struct(), protocols::loophash::LoopHashSampler::set_max_struct_per_radius(), protocols::loophash::LoopHashSampler::set_min_bbrms(), protocols::loophash::LoopHashSampler::set_min_rms(), protocols::loophash::LoopHashSampler::set_nonideal(), core::pose::set_ss_from_phipsi(), protocols::loophash::LoopHashSampler::set_start_res(), protocols::loophash::LoopHashSampler::set_stop_res(), start_res_, stop_res_, structure, core::util::switch_to_residue_type_set(), core::pose::Pose::total_residue(), protocols::loophash::LoopHashSampler::use_prefiltering(), and core::pose::Pose::xyz().
void protocols::loophash::LoopHashMoverWrapper::cenfilter | ( | protocols::filters::FilterOP | cenfilter) |
References cenfilter_.
Referenced by parse_my_tag().
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inlinevirtual |
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.
References LoopHashMoverWrapper().
void protocols::loophash::LoopHashMoverWrapper::fafilter | ( | protocols::filters::FilterOP | fafilter) |
References fafilter_.
Referenced by parse_my_tag().
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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.
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Mechanism by which a mover may return multiple output poses from a single input pose.
fpd
Mechanism by which a mover may return multiple output poses from a single input pose. After apply is called, calling this function will return subsequent output poses. NULL is returned if the mover has no more output poses remaining. The base class implementation returns NULL always; multi-output movers must override this. RosettaScripts uses this interface to produce a 'branched' protocol.
Reimplemented from protocols::moves::Mover.
References all_structs_.
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Each derived class must specify its name. The class name.
Implements protocols::moves::Mover.
References protocols::loophash::LoopHashMoverWrapperCreator::mover_name().
utility::vector1< Size > protocols::loophash::LoopHashMoverWrapper::loop_sizes | ( | ) | const |
References loop_sizes_.
Referenced by parse_my_tag().
Real protocols::loophash::LoopHashMoverWrapper::max_bbrms | ( | ) | const |
References max_bbrms_.
Referenced by apply(), and max_bbrms().
void protocols::loophash::LoopHashMoverWrapper::max_bbrms | ( | Real const | max_bbrms) |
References max_bbrms(), and max_bbrms_.
Size protocols::loophash::LoopHashMoverWrapper::max_nstruct | ( | ) | const |
References max_nstruct_.
Referenced by apply(), and max_nstruct().
void protocols::loophash::LoopHashMoverWrapper::max_nstruct | ( | Size const | max_nstruct) |
References max_nstruct(), and max_nstruct_.
Real protocols::loophash::LoopHashMoverWrapper::max_rms | ( | ) | const |
void protocols::loophash::LoopHashMoverWrapper::max_rms | ( | Real const | max_rms) |
Real protocols::loophash::LoopHashMoverWrapper::min_bbrms | ( | ) | const |
References min_bbrms_.
Referenced by apply(), and min_bbrms().
void protocols::loophash::LoopHashMoverWrapper::min_bbrms | ( | Real const | min_bbrms) |
References min_bbrms(), and min_bbrms_.
Real protocols::loophash::LoopHashMoverWrapper::min_rms | ( | ) | const |
void protocols::loophash::LoopHashMoverWrapper::min_rms | ( | Real const | min_rms) |
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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.
References add_loop_size(), batch_size_, cenfilter(), fafilter(), fastrelax_, filter_by_phipsi_, protocols::moves::DataMap::get(), core::pose::get_resnum(), ideal_, library_, loop_sizes(), max_bbrms_, max_nstruct_, max_radius_, max_rms_, max_struct_, max_struct_per_radius_, min_bbrms_, min_rms_, ncentroid_, nfullatom_, nprefilter_, protocols::rosetta_scripts::parse_filter(), prefilter_scorefxn_, ranking_cenfilter(), ranking_fafilter(), relax_mover(), sample_weight_const_, start_res_, and stop_res_.
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References ranking_cenfilter_.
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References ranking_cenfilter_.
Referenced by apply(), and parse_my_tag().
void protocols::loophash::LoopHashMoverWrapper::ranking_fafilter | ( | protocols::filters::FilterOP | ranking_fafilter) |
References ranking_fafilter_.
Referenced by parse_my_tag().
void protocols::loophash::LoopHashMoverWrapper::relax_mover | ( | protocols::relax::FastRelaxOP | relax_mover) |
References fastrelax_.
Referenced by parse_my_tag().
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Referenced by apply(), and get_additional_output().
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Referenced by apply(), and parse_my_tag().
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Referenced by apply(), and cenfilter().
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Referenced by apply(), and fafilter().
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Referenced by apply(), parse_my_tag(), and relax_mover().
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Referenced by apply(), and parse_my_tag().
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Referenced by apply(), and parse_my_tag().
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Referenced by apply(), and parse_my_tag().
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Referenced by add_loop_size(), loop_sizes(), and LoopHashMoverWrapper().
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Referenced by max_bbrms(), and parse_my_tag().
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Referenced by max_nstruct(), and parse_my_tag().
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Referenced by apply(), and parse_my_tag().
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Referenced by max_rms(), and parse_my_tag().
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Referenced by apply(), and parse_my_tag().
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Referenced by apply(), and parse_my_tag().
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Referenced by min_bbrms(), and parse_my_tag().
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Referenced by min_rms(), and parse_my_tag().
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Referenced by apply(), and parse_my_tag().
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Referenced by apply(), and parse_my_tag().
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Referenced by apply(), and parse_my_tag().
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Referenced by apply(), and parse_my_tag().
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Referenced by ranking_cenfilter().
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Referenced by apply(), and ranking_fafilter().
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Referenced by apply(), and parse_my_tag().
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Referenced by apply(), and parse_my_tag().
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Referenced by apply(), and parse_my_tag().