Rosetta
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#include <SetupForSymmetryMover.hh>
Public Member Functions | |
SetupForSymmetryMover () | |
default constructor, reads from the global options object More... | |
SetupForSymmetryMover (utility::options::OptionCollection const &options) | |
reads from a (possibly-local) option collection object More... | |
SetupForSymmetryMover (core::conformation::symmetry::SymmDataOP symmdata) | |
SetupForSymmetryMover (core::conformation::symmetry::SymmDataOP symmdata, utility::options::OptionCollection const &options) | |
SetupForSymmetryMover (std::string const &symmdef_file) | |
SetupForSymmetryMover (std::string const &symmdef_file, utility::options::OptionCollection const &options) | |
~SetupForSymmetryMover () override | |
moves::MoverOP | clone () const override |
Return a clone of the Mover object. More... | |
void | apply (core::pose::Pose &pose) override |
Main Method. More... | |
void | parse_my_tag (utility::tag::TagCOP tag, basic::datacache::DataMap &data) override |
Called by MoverFactory when constructing new Movers. Takes care of the specific mover's parsing. More... | |
void | provide_citation_info (basic::citation_manager::CitationCollectionList &citations) const override |
Provide the citation. More... | |
void | slide_into_contact (bool val) |
void | set_preserve_datacache (bool const preserve_cache) |
Sets whether or not the input asymmetric pose's datacache should be copied into the new symmetric pose. More... | |
void | set_keep_pdb_info_labels (bool const keep_pdb_info_labels) |
std::string | get_name () const override |
Each derived class must specify its name. The class name. More... | |
void | process_symmdef_file (std::string tag) |
void | set_refinable_lattice (bool setting) |
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Mover () | |
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 const &type_name) | |
sets the type for a mover; name_ has been removed (2010/05/14) More... | |
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... | |
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... | |
virtual MoverOP | fresh_instance () const |
Generates a new Mover object freshly created with the default ctor. More... | |
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... | |
void | set_type (std::string const &setting) |
Set the 'type' string. More... | |
std::string | get_type () const |
void | type (const std::string &type_in) |
Set the 'type' string. More... | |
std::string const & | type () const |
Get the set 'type' string. More... | |
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 |
void | set_current_job (protocols::jobdist::BasicJobCOP job) |
jobdist::BasicJobCOP | get_current_job () const |
virtual void | set_current_tag (std::string const &new_tag) |
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 | show (std::ostream &output=std::cout) const |
Outputs details about the Mover, including current settings. More... | |
virtual core::Real | last_proposal_density_ratio () |
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... | |
Static Public Member Functions | |
static std::string | mover_name () |
static void | provide_xml_schema (utility::tag::XMLSchemaDefinition &xsd) |
static void | options_read_in_ctor (utility::options::OptionKeyList &opts) |
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static std::string | name () |
static void | register_options () |
Overload this static method if you access options within the mover. More... | |
Private Member Functions | |
void | make_symmetric_pose (core::pose::Pose &pose) const |
constructs a symmetric pose with a symmetric conformation and energies object. More... | |
void | read_refinable_lattice (utility::options::OptionCollection const &options) |
Private Attributes | |
bool | slide_ |
bool | cryst1_ |
bool | preserve_datacache_ |
core::conformation::symmetry::SymmDataOP | symmdef_ |
std::string | symdef_fname_from_options_system_ |
bool | refinable_lattice_was_set_ |
bool | refinable_lattice_ |
bool | keep_pdb_info_labels_ |
bool | set_global_symmetry_at_parsetime_ |
Additional Inherited Members | |
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typedef utility::tag::TagCOP | TagCOP |
typedef core::pose::Pose | Pose |
typedef core::pose::PoseCOP | PoseCOP |
typedef std::list< std::string > | Strings |
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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::symmetry::SetupForSymmetryMover::SetupForSymmetryMover | ( | ) |
default constructor, reads from the global options object
protocols::symmetry::SetupForSymmetryMover::SetupForSymmetryMover | ( | utility::options::OptionCollection const & | options | ) |
reads from a (possibly-local) option collection object
References read_refinable_lattice(), and symdef_fname_from_options_system_.
protocols::symmetry::SetupForSymmetryMover::SetupForSymmetryMover | ( | core::conformation::symmetry::SymmDataOP | symmdata | ) |
protocols::symmetry::SetupForSymmetryMover::SetupForSymmetryMover | ( | core::conformation::symmetry::SymmDataOP | symmdata, |
utility::options::OptionCollection const & | options | ||
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References read_refinable_lattice().
protocols::symmetry::SetupForSymmetryMover::SetupForSymmetryMover | ( | std::string const & | symmdef_file | ) |
protocols::symmetry::SetupForSymmetryMover::SetupForSymmetryMover | ( | std::string const & | symmdef_file, |
utility::options::OptionCollection const & | options | ||
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References process_symmdef_file(), and read_refinable_lattice().
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overridedefault |
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overridevirtual |
Main Method.
Implements protocols::moves::Mover.
References protocols::cryst::MakeLatticeMover::apply(), cryst1_, core::scoring::dslf_ss_dst, core::pose::Pose::is_fullatom(), core::pose::symmetry::is_symmetric(), make_symmetric_pose(), process_symmdef_file(), refinable_lattice_, refinable_lattice_was_set_, protocols::cryst::MakeLatticeMover::set_refinable_lattice(), core::scoring::ScoreFunction::set_weight(), core::scoring::ScoreFunction::setup_for_scoring(), slide_, symdef_fname_from_options_system_, and symmdef_.
Referenced by protocols::forge::remodel::RemodelGlobalFrame::align_segment(), protocols::comparative_modeling::LoopRelaxThreadingMover::apply(), protocols::loop_build::LoopBuildMover::apply(), protocols::symmetric_docking::SymFoldandDockMoveRbJumpMover::apply(), protocols::symmetric_docking::SymFoldandDockRbTrialMover::apply(), protocols::symmetric_docking::SymFoldandDockSlideTrialMover::apply(), protocols::hybridization::HybridizeProtocol::apply(), protocols::forge::components::VarLengthBuild::apply(), protocols::forge::remodel::RemodelLoopMover::apply(), protocols::forge::remodel::RemodelMover::apply(), protocols::forge::remodel::RemodelMover::centroid_build(), and protocols::forge::remodel::RemodelLoopMover::repeat_propagation().
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inlineoverridevirtual |
Return a clone of the Mover object.
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.
Referenced by parse_my_tag().
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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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private |
constructs a symmetric pose with a symmetric conformation and energies object.
Calls core::pose::make_symmetric_pose(). If preserve_datacache is set, this also copies the datacache into the new symmetric pose.
[in,out] | pose | Input asymmetric pose, output symmetric pose |
References core::pose::Pose::data(), keep_pdb_info_labels_, core::pose::symmetry::make_symmetric_pose(), preserve_datacache_, and symmdef_.
Referenced by apply().
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static |
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static |
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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 force people to reimplement this method. However, we should be chatty about the fact that someone is using a RosettaScripts interface to a mover which didn't define parse_my_tag()
Reimplemented from protocols::moves::Mover.
References clone(), keep_pdb_info_labels_, preserve_datacache_, process_symmdef_file(), set_global_symmetry_at_parsetime_, symdef_fname_from_options_system_, symmdef_, and protocols::symmetry::TR().
void protocols::symmetry::SetupForSymmetryMover::process_symmdef_file | ( | std::string | tag | ) |
References cryst1_, and symmdef_.
Referenced by apply(), parse_my_tag(), and SetupForSymmetryMover().
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overridevirtual |
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References mover_name(), and protocols::moves::xsd_type_definition_w_attributes().
Referenced by protocols::symmetry::SetupForSymmetryMoverCreator::provide_xml_schema().
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References refinable_lattice_, and refinable_lattice_was_set_.
Referenced by SetupForSymmetryMover().
void protocols::symmetry::SetupForSymmetryMover::set_keep_pdb_info_labels | ( | bool const | keep_pdb_info_labels | ) |
References keep_pdb_info_labels_.
void protocols::symmetry::SetupForSymmetryMover::set_preserve_datacache | ( | bool const | preserve_cache | ) |
Sets whether or not the input asymmetric pose's datacache should be copied into the new symmetric pose.
[in] | preserve_cache | If true, input pose's datacache is copied into new symmetric pose If false, input pose's datacache is cleared (default = false) |
References preserve_datacache_.
void protocols::symmetry::SetupForSymmetryMover::set_refinable_lattice | ( | bool | setting | ) |
References refinable_lattice_, and refinable_lattice_was_set_.
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References slide_, and protocols::hybridization::val.
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Referenced by apply(), and process_symmdef_file().
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Referenced by make_symmetric_pose(), parse_my_tag(), and set_keep_pdb_info_labels().
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Referenced by make_symmetric_pose(), parse_my_tag(), and set_preserve_datacache().
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Referenced by apply(), read_refinable_lattice(), and set_refinable_lattice().
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Referenced by apply(), read_refinable_lattice(), and set_refinable_lattice().
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Referenced by parse_my_tag().
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Referenced by apply(), and slide_into_contact().
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Referenced by apply(), parse_my_tag(), and SetupForSymmetryMover().
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Referenced by apply(), make_symmetric_pose(), parse_my_tag(), and process_symmdef_file().