Public Member Functions | Static Public Member Functions | Protected Attributes | List of all members
protocols::legacy_sewing::LegacyAssemblyMover Class Referenceabstract

#include <LegacyAssemblyMover.hh>

Inheritance diagram for protocols::legacy_sewing::LegacyAssemblyMover:
Inheritance graph

Public Member Functions

 LegacyAssemblyMover ()
std::string get_name () const override
 Each derived class must specify its name. The class name. More...
void apply (core::pose::Pose &pose) override
 Main Method. More...
virtual void add_starting_model (AssemblyOP assembly) const
virtual core::pose::Pose get_fullatom_pose (AssemblyOP assembly) const
virtual core::pose::Pose get_centroid_pose (AssemblyOP assembly) const
bool follow_random_edge_from_node (AssemblyOP assembly, ModelNode const *reference_node) const
virtual AssemblyOP generate_assembly ()=0
virtual core::pose::Pose refine_assembly (AssemblyOP &assembly)
bool reinitialize_for_new_input () const override
 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 append_movie_frame (AssemblyOP assembly, core::Size cycle) const
virtual void output_stats (AssemblyOP const &assembly, core::pose::Pose &pose, std::string indicator_whether_from_LegacyMonteCarloAssemblyMover_or_LegacyExhaustiveAssemblyMover)
 add several outputs to the score file Pose can't be const due to scoring. More...
void parse_my_tag (TagCOP tag, basic::datacache::DataMap &data) override
 Called by MoverFactory when constructing new Movers. Takes care of the specific mover's parsing. More...
virtual void parse_requirements (TagCOP tag, basic::datacache::DataMap &data)
virtual void parse_global_requirements (TagCOP tag, basic::datacache::DataMap &data)
virtual void parse_intra_segment_requirements (TagCOP tag, basic::datacache::DataMap &data)
- Public Member Functions inherited from protocols::moves::Mover
 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 MoverOP clone () const
 Return a clone of the Mover object. 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 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 Stringsinfo ()
 non-const accessor More...
virtual Strings const & info () const
 const accessor More...
virtual void provide_citation_info (basic::citation_manager::CitationCollectionList &) const
 Provide citations to the passed CitationCollectionList Subclasses should add the info for themselves and any other classes they use. More...

Static Public Member Functions

static std::string mover_name ()
static void provide_xml_schema (utility::tag::XMLSchemaDefinition &xsd)
static utility::tag::XMLSchemaComplexTypeGeneratorOP define_assembly_mover_ct_gen (utility::tag::XMLSchemaDefinition &xsd)
static std::string legacy_assembly_mover_ct_namer (std::string const &)
- 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. More...

Protected Attributes

scoring::LegacyAssemblyScoreFunctionOP assembly_scorefxn_
SewGraphOP graph_
std::string edge_file_
sampling::requirements::LegacyRequirementSetOP requirement_set_
core::scoring::ScoreFunctionOP cen_scorefxn_
core::scoring::ScoreFunctionOP fa_scorefxn_
core::Real base_native_bonus_
core::Size neighbor_cutoff_

Additional Inherited Members

- Public Types inherited from protocols::moves::Mover
typedef utility::tag::TagCOP TagCOP
typedef core::pose::Pose Pose
typedef core::pose::PoseCOP PoseCOP
typedef std::list< std::string > Strings
- 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...

Constructor & Destructor Documentation

◆ LegacyAssemblyMover()

protocols::legacy_sewing::LegacyAssemblyMover::LegacyAssemblyMover ( )

References requirement_set_.

Member Function Documentation

◆ add_starting_model()

void protocols::legacy_sewing::LegacyAssemblyMover::add_starting_model ( AssemblyOP  assembly) const

◆ append_movie_frame()

void protocols::legacy_sewing::LegacyAssemblyMover::append_movie_frame ( AssemblyOP  assembly,
core::Size  cycle 
) const

◆ apply()

void protocols::legacy_sewing::LegacyAssemblyMover::apply ( core::pose::Pose )

◆ define_assembly_mover_ct_gen()

utility::tag::XMLSchemaComplexTypeGeneratorOP protocols::legacy_sewing::LegacyAssemblyMover::define_assembly_mover_ct_gen ( utility::tag::XMLSchemaDefinition &  xsd)

◆ follow_random_edge_from_node()

bool protocols::legacy_sewing::LegacyAssemblyMover::follow_random_edge_from_node ( AssemblyOP  assembly,
ModelNode const *  reference_node 
) const

◆ generate_assembly()

virtual AssemblyOP protocols::legacy_sewing::LegacyAssemblyMover::generate_assembly ( )
pure virtual

◆ get_centroid_pose()

core::pose::Pose protocols::legacy_sewing::LegacyAssemblyMover::get_centroid_pose ( AssemblyOP  assembly) const

References core::chemical::CENTROID.

Referenced by output_stats().

◆ get_fullatom_pose()

core::pose::Pose protocols::legacy_sewing::LegacyAssemblyMover::get_fullatom_pose ( AssemblyOP  assembly) const

◆ get_name()

std::string protocols::legacy_sewing::LegacyAssemblyMover::get_name ( ) const

◆ legacy_assembly_mover_ct_namer()

std::string protocols::legacy_sewing::LegacyAssemblyMover::legacy_assembly_mover_ct_namer ( std::string const &  input)

◆ mover_name()

std::string protocols::legacy_sewing::LegacyAssemblyMover::mover_name ( )

Referenced by get_name(), and provide_xml_schema().

◆ output_stats()

void protocols::legacy_sewing::LegacyAssemblyMover::output_stats ( AssemblyOP const &  assembly,
core::pose::Pose pose,
std::string  indicator_whether_from_LegacyMonteCarloAssemblyMover_or_LegacyExhaustiveAssemblyMover 

◆ parse_global_requirements()

void protocols::legacy_sewing::LegacyAssemblyMover::parse_global_requirements ( TagCOP  tag,
basic::datacache::DataMap data 

◆ parse_intra_segment_requirements()

void protocols::legacy_sewing::LegacyAssemblyMover::parse_intra_segment_requirements ( TagCOP  tag,
basic::datacache::DataMap data 

◆ parse_my_tag()

void protocols::legacy_sewing::LegacyAssemblyMover::parse_my_tag ( TagCOP  tag,
basic::datacache::DataMap data 

◆ parse_requirements()

void protocols::legacy_sewing::LegacyAssemblyMover::parse_requirements ( TagCOP  tag,
basic::datacache::DataMap data 

◆ provide_xml_schema()

void protocols::legacy_sewing::LegacyAssemblyMover::provide_xml_schema ( utility::tag::XMLSchemaDefinition &  xsd)

◆ refine_assembly()

core::pose::Pose protocols::legacy_sewing::LegacyAssemblyMover::refine_assembly ( AssemblyOP assembly)

◆ reinitialize_for_new_input()

bool protocols::legacy_sewing::LegacyAssemblyMover::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).

Movers default to not regenerating

Reimplemented from protocols::moves::Mover.

Member Data Documentation

◆ assembly_scorefxn_

scoring::LegacyAssemblyScoreFunctionOP protocols::legacy_sewing::LegacyAssemblyMover::assembly_scorefxn_

◆ base_native_bonus_

core::Real protocols::legacy_sewing::LegacyAssemblyMover::base_native_bonus_

◆ cen_scorefxn_

core::scoring::ScoreFunctionOP protocols::legacy_sewing::LegacyAssemblyMover::cen_scorefxn_

Referenced by apply(), and output_stats().

◆ edge_file_

std::string protocols::legacy_sewing::LegacyAssemblyMover::edge_file_

◆ fa_scorefxn_

core::scoring::ScoreFunctionOP protocols::legacy_sewing::LegacyAssemblyMover::fa_scorefxn_

◆ graph_

SewGraphOP protocols::legacy_sewing::LegacyAssemblyMover::graph_

◆ neighbor_cutoff_

core::Size protocols::legacy_sewing::LegacyAssemblyMover::neighbor_cutoff_

◆ requirement_factory_

sampling::requirements::LegacyRequirementFactory* protocols::legacy_sewing::LegacyAssemblyMover::requirement_factory_

◆ requirement_set_

sampling::requirements::LegacyRequirementSetOP protocols::legacy_sewing::LegacyAssemblyMover::requirement_set_

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