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protocols::cryst::LoadDensityMapMover Class Reference

This class loads a density map into global data. Each apply will regenerate this data and force a reload of the data by default. More...

#include <cryst_movers.hh>

Inheritance diagram for protocols::cryst::LoadDensityMapMover:
Inheritance graph
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Public Member Functions

 LoadDensityMapMover ()
 Default Constructor. More...
 
 LoadDensityMapMover (std::string const &mapfile)
 Constructor with mapfile. More...
 
void set_mapfile (std::string const &mapfile)
 Set a mapfile to be loaded. More...
 
void set_sc_scale (core::Real const sc_scale)
 Set sidechain scaling in density map to this factor (default 1.0) More...
 
void set_window (core::Size const window)
 Set window in the density map to this value (default 3). Used if using window scoring. More...
 
std::string get_mapfile ()
 Get the mapfile path set for this mover. More...
 
core::Real get_sc_scale ()
 Get the sc_scale set for this mover. More...
 
core::Size get_window ()
 Get the window set for this mover. More...
 
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...
 
std::string get_name () const override
 Each derived class must specify its name. The class name. More...
 
- 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 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 Stringsinfo ()
 non-const accessor More...
 
virtual Strings const & info () const
 const accessor More...
 
virtual bool mover_provides_citation_info () const
 Does this mover provide information about how to cite it? More...
 
virtual utility::vector1
< basic::citation_manager::CitationCollectionCOP > 
provide_citation_info () const
 Provide the citation. More...
 
virtual bool mover_is_unpublished () const
 Does this mover indicate that it is unpublished (and, by extension, that the author should be included in publications resulting from it)? More...
 
virtual utility::vector1
< basic::citation_manager::UnpublishedModuleInfoCOP > 
provide_authorship_info_for_unpublished () const
 Provide a list of authors and their e-mail addresses, as strings. More...
 

Static Public Member Functions

static std::string mover_name ()
 
static void provide_xml_schema (utility::tag::XMLSchemaDefinition &xsd)
 
- 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...
 

Private Attributes

std::string mapfile_
 
core::Real sc_scale_
 
core::Size window_
 

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...
 

Detailed Description

This class loads a density map into global data. Each apply will regenerate this data and force a reload of the data by default.

Constructor & Destructor Documentation

protocols::cryst::LoadDensityMapMover::LoadDensityMapMover ( )
inline

Default Constructor.

protocols::cryst::LoadDensityMapMover::LoadDensityMapMover ( std::string const &  mapfile)

Constructor with mapfile.

Member Function Documentation

void protocols::cryst::LoadDensityMapMover::apply ( core::pose::Pose )
overridevirtual
moves::MoverOP protocols::cryst::LoadDensityMapMover::clone ( ) const
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.

std::string protocols::cryst::LoadDensityMapMover::get_mapfile ( )

Get the mapfile path set for this mover.

References mapfile_.

std::string protocols::cryst::LoadDensityMapMover::get_name ( ) const
overridevirtual

Each derived class must specify its name. The class name.

Implements protocols::moves::Mover.

References mover_name().

core::Real protocols::cryst::LoadDensityMapMover::get_sc_scale ( )

Get the sc_scale set for this mover.

References sc_scale_.

core::Size protocols::cryst::LoadDensityMapMover::get_window ( )

Get the window set for this mover.

References window_.

std::string protocols::cryst::LoadDensityMapMover::mover_name ( )
static
void protocols::cryst::LoadDensityMapMover::parse_my_tag ( utility::tag::TagCOP  tag,
basic::datacache::DataMap &  data 
)
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 mapfile_, sc_scale_, and window_.

void protocols::cryst::LoadDensityMapMover::provide_xml_schema ( utility::tag::XMLSchemaDefinition &  xsd)
static
void protocols::cryst::LoadDensityMapMover::set_mapfile ( std::string const &  mapfile)

Set a mapfile to be loaded.

References mapfile_.

void protocols::cryst::LoadDensityMapMover::set_sc_scale ( core::Real const  sc_scale)

Set sidechain scaling in density map to this factor (default 1.0)

References sc_scale_.

void protocols::cryst::LoadDensityMapMover::set_window ( core::Size const  window)

Set window in the density map to this value (default 3). Used if using window scoring.

References window_.

Member Data Documentation

std::string protocols::cryst::LoadDensityMapMover::mapfile_
private
core::Real protocols::cryst::LoadDensityMapMover::sc_scale_
private
core::Size protocols::cryst::LoadDensityMapMover::window_
private

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