Writes the results from all filters to the pose file. More...

#include <WriteFiltersToPose.hh>

Inheritance diagram for protocols::simple_moves::WriteFiltersToPose:

Public Member Functions
	WriteFiltersToPose ()
	Writes all filter results to the pose file. More...

void	apply (core::pose::Pose &) override
	Main Method. 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	parse_my_tag (utility::tag::TagCOP, basic::datacache::DataMap &) 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...

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...

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 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::map< std::string, utility::VirtualBaseOP >	filters_

std::string	prefix_

bool	include_type_ = false

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

Writes the results from all filters to the pose file.

This mover goes through all filters in the RosettaScripts file and writes their user-defined name, (optionally) their filter type, and their numerical result to the output .pdb file. The include_type option writes the filter type. The user can also specify a prefix to append before the user-defined filter name; for instance, let's say there is a PackStat filter, as well as several movers like fastdesign and docking. The "prefix" option allows the user to have several versions of WriteFiltersToPose which take the filter results from different steps in the process. If the RosettaScripts XML file has these instances of WriteFiltersToPose: <WriteFiltersToPose name="writer1" prefix="post_fastdesign_"> <WriteFiltersToPose name="writer2" prefix="post_docking_" include_type="true"> If the only filter is a PackStat filter named "packing", the output pdb will have two lines at the end that look something like this: post_docking_packing PackStat 0.6794 post_fastdesign_packing 0.6751 If there are multiple filters, each instance of this mover will write all filters to the pose.

Note: If you would like to only write a single filter result to your pose, use FilterReportAsPoseExtraScoresMover

Constructor & Destructor Documentation

protocols::simple_moves::WriteFiltersToPose::WriteFiltersToPose ( )

Writes all filter results to the pose file.

This mover goes through all filters in the RosettaScripts file and writes their user-defined name, (optionally) their filter type, and their numerical result to the output .pdb file. The include_type option writes the filter type. The user can also specify a prefix to append before the user-defined filter name; for instance, let's say there is a PackStat filter, as well as several movers like fastdesign and docking. The "prefix" option allows the user to have several versions of WriteFiltersToPose which take the filter results from different steps in the process. If the RosettaScripts XML file has these instances of WriteFiltersToPose: <WriteFiltersToPose name="writer1" prefix="post_fastdesign_"> <WriteFiltersToPose name="writer2" prefix="post_docking_" include_type="true"> If the only filter is a PackStat filter named "packing", the output pdb will have two lines at the end that look something like this: post_docking_packing PackStat 0.6794 post_fastdesign_packing 0.6751 If there are multiple filters, each instance of this mover will write all filters to the pose.

Note: If you only want to write a specific filter result to your pose, check out FilterReportAsPoseExtraScoresMover

Member Function Documentation

void protocols::simple_moves::WriteFiltersToPose::apply ( core::pose::Pose & )

overridevirtual

Main Method.

Implements protocols::moves::Mover.

References protocols::hybridization::score, and core::pose::setPoseExtraScore().

protocols::moves::MoverOP protocols::simple_moves::WriteFiltersToPose::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.

protocols::moves::MoverOP protocols::simple_moves::WriteFiltersToPose::fresh_instance ( ) const

inlineoverridevirtual

Generates a new Mover object freshly created with the default ctor.

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.

std::string protocols::simple_moves::WriteFiltersToPose::get_name ( ) const

overridevirtual

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

Implements protocols::moves::Mover.

std::string protocols::simple_moves::WriteFiltersToPose::mover_name ( )

static

Referenced by protocols::simple_moves::WriteFiltersToPoseCreator::keyname().

void protocols::simple_moves::WriteFiltersToPose::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.

void protocols::simple_moves::WriteFiltersToPose::provide_xml_schema ( utility::tag::XMLSchemaDefinition & xsd )

static

References protocols::moves::xsd_type_definition_w_attributes().

Referenced by protocols::simple_moves::WriteFiltersToPoseCreator::provide_xml_schema().