#include <AddNetChargeConstraintMover.hh>

Inheritance diagram for protocols::aa_composition::AddNetChargeConstraintMover:

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Public Types
typedef core::scoring::constraints::ConstraintSet	ConstraintSet

typedef core::scoring::constraints::ConstraintSetOP	ConstraintSetOP

typedef core::scoring::constraints::ConstraintSetCOP	ConstraintSetCOP

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

Public Member Functions
	AddNetChargeConstraintMover ()
	Constructor. More...

	AddNetChargeConstraintMover (AddNetChargeConstraintMover const &src)
	Copy Constructor. More...

	~AddNetChargeConstraintMover () override
	Destructor. More...

protocols::moves::MoverOP	clone () const override
	Copy this object and return a pointer to the copy. More...

protocols::moves::MoverOP	fresh_instance () const override
	Create a new object of this type and return a pointer to it. More...

void	apply (Pose &) override
	Actually apply the mover to a pose. More...

void	parse_my_tag (TagCOP tag, basic::datacache::DataMap &data_map) override
	Parse RosettaScripts XML tag to set up the mover. More...

core::scoring::netcharge_energy::NetChargeConstraintCOP	constraint () const
	Get an owning pointer to the NetChargeConstraint object created by this mover. More...

void	create_constraint_from_file (std::string const &filename)
	Create the NetChargeConstraint object and initialize it from a .charge file. More...

void	create_constraint_from_file_contents (std::string const &filecontents)
	Create the NetChargeConstraint object from the data from a .charge file. More...

void	add_residue_selector (core::select::residue_selector::ResidueSelectorCOP selector_in)
	Add a ResidueSelector to the constraint to use as a mask. 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
core::scoring::netcharge_energy::NetChargeConstraintOP	constraint_
	Owning pointer for the NetChargeConstraint object that will be added to the pose. More...

Additional Inherited Members
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...

Member Typedef Documentation

◆ ConstraintSet

typedef core::scoring::constraints::ConstraintSet protocols::aa_composition::AddNetChargeConstraintMover::ConstraintSet

◆ ConstraintSetCOP

typedef core::scoring::constraints::ConstraintSetCOP protocols::aa_composition::AddNetChargeConstraintMover::ConstraintSetCOP

◆ ConstraintSetOP

typedef core::scoring::constraints::ConstraintSetOP protocols::aa_composition::AddNetChargeConstraintMover::ConstraintSetOP

Constructor & Destructor Documentation

◆ AddNetChargeConstraintMover() [1/2]

protocols::aa_composition::AddNetChargeConstraintMover::AddNetChargeConstraintMover ( )

Constructor.

Default Constructor.

◆ AddNetChargeConstraintMover() [2/2]

protocols::aa_composition::AddNetChargeConstraintMover::AddNetChargeConstraintMover ( AddNetChargeConstraintMover const & src )

Copy Constructor.

◆ ~AddNetChargeConstraintMover()

protocols::aa_composition::AddNetChargeConstraintMover::~AddNetChargeConstraintMover ( )

overridedefault

Destructor.

Member Function Documentation

◆ add_residue_selector()

void protocols::aa_composition::AddNetChargeConstraintMover::add_residue_selector ( core::select::residue_selector::ResidueSelectorCOP selector_in )

Add a ResidueSelector to the constraint to use as a mask.

The constraint must already have been created with the create_constraint_from_file() function before this function is called.

References constraint_.

Referenced by parse_my_tag().

◆ apply()

void protocols::aa_composition::AddNetChargeConstraintMover::apply ( Pose & pose )

overridevirtual

Actually apply the mover to a pose.

Implements protocols::moves::Mover.

References core::pose::Pose::add_constraint(), and constraint().

◆ clone()

protocols::moves::MoverOP protocols::aa_composition::AddNetChargeConstraintMover::clone ( ) const

overridevirtual

Copy this object and return a pointer to the copy.

Reimplemented from protocols::moves::Mover.

◆ constraint()

core::scoring::netcharge_energy::NetChargeConstraintCOP protocols::aa_composition::AddNetChargeConstraintMover::constraint ( ) const

inline

Get an owning pointer to the NetChargeConstraint object created by this mover.

NULL unless the create_constraint_from_file() function has been called.

References constraint_.

Referenced by apply().

◆ create_constraint_from_file()

void protocols::aa_composition::AddNetChargeConstraintMover::create_constraint_from_file ( std::string const & filename )

Create the NetChargeConstraint object and initialize it from a .charge file.

Create the NetChargeConstraint object and initialize it from a .comp file.

References constraint_, protocols::abinitio::filename(), and protocols::TR().

Referenced by parse_my_tag().

◆ create_constraint_from_file_contents()

void protocols::aa_composition::AddNetChargeConstraintMover::create_constraint_from_file_contents ( std::string const & filecontents )

Create the NetChargeConstraint object from the data from a .charge file.

Create the NetChargeConstraint object from the data from a .comp file.

Allows external code to create the constraint object without having it read directly from disk.

References constraint_, and protocols::TR().

◆ fresh_instance()

protocols::moves::MoverOP protocols::aa_composition::AddNetChargeConstraintMover::fresh_instance ( ) const

overridevirtual

Create a new object of this type and return a pointer to it.

Reimplemented from protocols::moves::Mover.

◆ get_name()

std::string protocols::aa_composition::AddNetChargeConstraintMover::get_name ( ) const

overridevirtual

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

Implements protocols::moves::Mover.

References mover_name().

◆ mover_name()

std::string protocols::aa_composition::AddNetChargeConstraintMover::mover_name ( )

static

Referenced by get_name(), protocols::aa_composition::AddNetChargeConstraintMoverCreator::keyname(), and provide_xml_schema().

◆ parse_my_tag()

void protocols::aa_composition::AddNetChargeConstraintMover::parse_my_tag	(	TagCOP	tag,
		basic::datacache::DataMap &	data_map
	)

overridevirtual

Parse RosettaScripts XML tag to set up the mover.

Reimplemented from protocols::moves::Mover.

References add_residue_selector(), create_constraint_from_file(), protocols::pack_daemon::error_message, core::select::residue_selector::get_residue_selector(), and protocols::TR().

◆ provide_xml_schema()

void protocols::aa_composition::AddNetChargeConstraintMover::provide_xml_schema ( utility::tag::XMLSchemaDefinition & xsd )

static

References core::select::residue_selector::attributes_for_parse_residue_selector(), mover_name(), and protocols::moves::xsd_type_definition_w_attributes().

Referenced by protocols::aa_composition::AddNetChargeConstraintMoverCreator::provide_xml_schema().

Member Data Documentation

◆ constraint_

core::scoring::netcharge_energy::NetChargeConstraintOP protocols::aa_composition::AddNetChargeConstraintMover::constraint_

private

Owning pointer for the NetChargeConstraint object that will be added to the pose.

NULL by default; only created when the create_constraint_from_file() function is called. Must be called before apply time.

Referenced by add_residue_selector(), constraint(), create_constraint_from_file(), and create_constraint_from_file_contents().

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

src/protocols/aa_composition/AddNetChargeConstraintMover.hh
src/protocols/aa_composition/AddNetChargeConstraintMover.cc

Public Types

Public Member Functions

Static Public Member Functions

Private Attributes

Additional Inherited Members

Member Typedef Documentation

◆ ConstraintSet

◆ ConstraintSetCOP

◆ ConstraintSetOP

Constructor & Destructor Documentation

◆ AddNetChargeConstraintMover() [1/2]

◆ AddNetChargeConstraintMover() [2/2]

◆ ~AddNetChargeConstraintMover()

Member Function Documentation

◆ add_residue_selector()

◆ apply()

◆ clone()

◆ constraint()

◆ create_constraint_from_file()

◆ create_constraint_from_file_contents()

◆ fresh_instance()

◆ get_name()

◆ mover_name()

◆ parse_my_tag()

◆ provide_xml_schema()

Member Data Documentation

◆ constraint_