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Rosetta
3.8
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#include <MatcherMover.hh>
Public Types | |
typedef core::Real | Real |
typedef core::Size | Size |
typedef protocols::moves::MoverOP | MoverOP |
typedef utility::tag::TagCOP | TagCOP |
typedef protocols::filters::Filters_map | Filters_map |
typedef basic::datacache::DataMap | DataMap |
typedef protocols::moves::Movers_map | Movers_map |
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typedef utility::tag::TagCOP | TagCOP |
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 | |
MatcherMover (bool incorporate_matches_into_pose=true) | |
Construction and Destruction. More... | |
~MatcherMover () override | |
MatcherMover (MatcherMover const &rval) | |
copy constructor More... | |
MoverOP | clone () const override |
clone this object More... | |
MoverOP | fresh_instance () const override |
create this type of object More... | |
void | parse_my_tag (TagCOP tag, basic::datacache::DataMap &, Filters_map const &, Movers_map const &, Pose const &) override |
Called by MoverFactory when constructing new Movers. Takes care of the specific mover's parsing. More... | |
void | apply (core::pose::Pose &pose) override |
void | set_ligres (core::conformation::ResidueCOP ligres) |
void | set_match_positions (utility::vector1< core::Size > const &match_positions) |
void | set_return_single_random_match (bool const single_random) |
if set to true, a single random match will be returned. More... | |
std::string | get_name () const override |
Each derived class must specify its name. The class name. More... | |
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MultiplePoseMover () | |
No-argument constructor. More... | |
~MultiplePoseMover () override=default | |
Virtual destructor. More... | |
protocols::moves::MoverOP | clone () const override |
Return a clone of the Mover object. More... | |
protocols::moves::MoverOP | fresh_instance () const override |
Generates a new Mover object freshly created with the default ctor. More... | |
void | apply (core::pose::Pose &pose) override |
Process input pose. More... | |
core::pose::PoseOP | get_additional_output () override |
Mechanism by which a mover may return multiple output poses from a single input pose. More... | |
void | parse_my_tag (utility::tag::TagCOP tag, basic::datacache::DataMap &, protocols::filters::Filters_map const &, protocols::moves::Movers_map const &, core::pose::Pose const &) override |
Parse settings in tag. More... | |
void | set_previous_mover (protocols::moves::MoverOP const m) |
Used by RosettaScripts to set the previous mover to pull poses from. More... | |
void | set_rosetta_scripts_tag (utility::tag::TagCOP tag) |
sets rosettascripts tag More... | |
std::string | get_name () const override |
Each derived class must specify its name. The class name. More... | |
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Mover () | |
~Mover () override | |
virtual MoverOP | create () |
MoverCOP | get_self_ptr () const |
MoverOP | get_self_ptr () |
MoverCAP | get_self_weak_ptr () const |
MoverAP | get_self_weak_ptr () |
Mover (std::string 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 |
void | set_type (std::string const &setting) |
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... | |
virtual 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 |
Inform 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 |
Inform 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 |
virtual void | show (std::ostream &output=std::cout) const |
Outputs details about the Mover, including current settings. More... | |
Static Public Member Functions | |
static std::string | mover_name () |
static void | provide_xml_schema (utility::tag::XMLSchemaDefinition &xsd) |
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static std::string | mover_name () |
static void | provide_xml_schema (utility::tag::XMLSchemaDefinition &xsd) |
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static std::string | name () |
static void | register_options () |
Overload this static method if you access options within the mover. More... | |
Protected Member Functions | |
bool | process_pose (core::pose::Pose &, utility::vector1< core::pose::PoseOP > &) override |
Process a single input pose by the RosettaScripts mover. More... | |
void | setup_seqpos_from_selectors (protocols::match::MatcherTask &mtask, core::pose::Pose const &pose) const |
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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... | |
Private Attributes | |
bool | incorporate_matches_into_pose_ |
bool | return_single_random_match_ |
core::conformation::ResidueCOP | ligres_ |
utility::vector1< core::Size > | match_positions_ |
utility::vector1 < core::select::residue_selector::ResidueSelectorCOP > | selectors_ |
typedef basic::datacache::DataMap protocols::match::MatcherMover::DataMap |
typedef utility::tag::TagCOP protocols::match::MatcherMover::TagCOP |
protocols::match::MatcherMover::MatcherMover | ( | bool | incorporate_matches_into_pose = true | ) |
Construction and Destruction.
Referenced by clone(), and fresh_instance().
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overridedefault |
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default |
copy constructor
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overridevirtual |
Implements protocols::moves::Mover.
References protocols::rosetta_scripts::MultiplePoseMover::apply(), and core::pose::Pose::pdb_info().
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overridevirtual |
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overridevirtual |
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overridevirtual |
Each derived class must specify its name. The class name.
Implements protocols::moves::Mover.
References mover_name().
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static |
Referenced by get_name(), protocols::match::MatcherMoverCreator::keyname(), and provide_xml_schema().
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overridevirtual |
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 incorporate_matches_into_pose_, selectors_, and protocols::match::tr().
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overrideprotectedvirtual |
Process a single input pose by the RosettaScripts mover.
Reimplemented from protocols::rosetta_scripts::MultiplePoseMover.
References core::pose::Pose::append_residue_by_jump(), core::pose::Pose::clone(), core::pose::Pose::conformation(), protocols::match::output::ProcessorFactory::create_processor(), core::conformation::ResidueFactory::create_residue(), core::conformation::Conformation::delete_residue_slow(), protocols::moves::FAIL_DO_NOT_RETRY, core::chemical::FULL_ATOM_t, core::scoring::get_score_function(), incorporate_matches_into_pose_, ligres_, match_positions_, protocols::moves::MS_SUCCESS, core::chemical::ResidueType::name3(), protocols::sic_dock::scores::nbr1(), protocols::sic_dock::scores::nbr2(), core::pose::Pose::pdb_info(), core::pose::Pose::residue_type(), core::pose::Pose::residue_type_set_for_pose(), return_single_random_match_, selectors_, protocols::moves::Mover::set_last_move_status(), protocols::match::set_ligpose_rotamer(), setup_seqpos_from_selectors(), core::pose::Pose::size(), and protocols::match::tr().
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static |
References mover_name(), and protocols::moves::xsd_type_definition_w_attributes().
Referenced by protocols::match::MatcherMoverCreator::provide_xml_schema().
void protocols::match::MatcherMover::set_ligres | ( | core::conformation::ResidueCOP | ligres | ) |
References ligres_.
void protocols::match::MatcherMover::set_match_positions | ( | utility::vector1< core::Size > const & | match_positions | ) |
References match_positions_.
void protocols::match::MatcherMover::set_return_single_random_match | ( | bool const | single_random | ) |
if set to true, a single random match will be returned.
The default behavior is to use the MultiplePoseMover framework to return all matches
References return_single_random_match_.
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protected |
References selectors_, protocols::match::MatcherTask::set_ignore_cmdline_for_build_points(), protocols::match::MatcherTask::set_original_scaffold_build_points_for_geometric_constraint(), protocols::match::tr(), and protocols::match::MatcherTask::use_different_build_points_for_each_geometric_constraint().
Referenced by process_pose().
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private |
Referenced by parse_my_tag(), and process_pose().
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private |
Referenced by process_pose(), and set_ligres().
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private |
Referenced by process_pose(), and set_match_positions().
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private |
Referenced by process_pose(), and set_return_single_random_match().
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private |
Referenced by parse_my_tag(), process_pose(), and setup_seqpos_from_selectors().