#include <ConstrainToIdealMover.hh>

Inheritance diagram for protocols::simple_moves::ConstrainToIdealMover:

[legend]

Public Member Functions
	ConstrainToIdealMover ()

ConstrainToIdealMover &	operator= (ConstrainToIdealMover const &rhs)

	~ConstrainToIdealMover () override

void	apply (core::pose::Pose &pose) override

void	apply (core::pose::Pose &pose, core::kinematics::MoveMap &mm)

std::string	get_name () const override
	Each derived class must specify its name. The class name. More...

moves::MoverOP	fresh_instance () const override
	Generates a new Mover object freshly created with the default ctor. More...

moves::MoverOP	clone () const override
	Return a clone of the Mover object. More...

void	set_atom_level_domain_map (core::pose::toolbox::AtomLevelDomainMapCOP atom_level_domain_map)
	setter for AtomLevelDomainMap; makes a shallow copy More...

core::pose::toolbox::AtomLevelDomainMapCOP	get_atom_level_domain_map () const
	getter for AtomLevelDomainMap More...

void	set_score_type (core::scoring::ScoreType const setting)

void	set_just_rna_backbone (bool const setting)

void	set_just_polar_hydrogens (bool const setting)

void	set_fix_lengths (bool const &setting)

void	set_fix_angles (bool const &setting)

void	set_fix_torsions (bool const &setting)

virtual void	apply (Pose &)=0
	Main Method. 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

virtual void	parse_my_tag (TagCOP tag, basic::datacache::DataMap &data)
	Called by MoverFactory when constructing new Movers. Takes care of the specific mover's parsing. More...

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...

Private Member Functions
void	vary_bond_geometry (core::pose::Pose &pose, core::kinematics::MoveMap &mm, core::pose::Pose const &pose_reference) const
	@most of the work happens here. This modifies the movemap and adds constraints to the Pose that will gently idealize angles and bond lengths More...

virtual void	create_pose_reference (core::pose::Pose const &pose, core::pose::Pose &pose_reference)
	this function generates a "reference pose" for the input pose that has the same chemistry (as best as possible), but has ideal angles and bond lengths. These are then used to generate the constraints later. Virtual in case you want to make the reference in a different fashion. More...

virtual bool	i_want_this_atom_to_move (core::pose::Pose const &pose, core::id::AtomID const &atom_id) const
	maps to other version of function; should this type of atom be moved during idealization? More...

virtual bool	i_want_this_atom_to_move (core::conformation::Residue const &residue2, core::Size const &k) const
	returns whether or not this atom should move during idealiation categorically; mostly boils down to "don't move the sidechains". Virtual in case you want to deny using a different metric. More...

bool	check_if_really_connected (core::pose::Pose const &pose, core::id::AtomID const &atom_id1, core::id::AtomID const &atom_id2) const

bool	check_in_bonded_list (core::id::AtomID const &atom_id1, core::id::AtomID const &atom_id2, utility::vector1< std::pair< core::id::AtomID, core::id::AtomID > > &bonded_atom_list) const

bool	check_in_bond_angle_list (core::id::AtomID const &atom_id1, core::id::AtomID const &atom_id2, core::id::AtomID const &atom_id3, utility::vector1< std::pair< core::id::AtomID, std::pair< core::id::AtomID, core::id::AtomID > > > &bond_angle_list) const

void	add_bond_angle_constraint (core::id::AtomID const &atom_id1, core::id::AtomID const &atom_id2, core::id::AtomID const &atom_id3, utility::vector1< std::pair< core::id::AtomID, std::pair< core::id::AtomID, core::id::AtomID > > > &bond_angle_list, core::pose::Pose const &pose, core::pose::Pose const &pose_reference, core::scoring::constraints::ConstraintSetOP &cst_set) const

void	add_bond_dihedral_constraint (core::id::AtomID const &atom_id1, core::id::AtomID const &atom_id2, core::id::AtomID const &atom_id3, core::id::AtomID const &atom_id4, core::pose::Pose const &pose, core::pose::Pose const &pose_reference, core::scoring::constraints::ConstraintSetOP &cst_set) const

void	add_bond_length_constraint (core::id::AtomID const &atom_id1, core::id::AtomID const &atom_id2, utility::vector1< std::pair< core::id::AtomID, core::id::AtomID > > &bonded_atom_list, core::pose::Pose const &pose, core::pose::Pose const &pose_reference, core::scoring::constraints::ConstraintSetOP &cst_set) const

Private Attributes
core::pose::toolbox::AtomLevelDomainMapCOP	atom_level_domain_map_
	atom_level_domain_map has info on which atoms should move; complementary to move_map (which instead focuses on DOFs). More...

core::Real const	bond_length_sd_

core::Real const	bond_length_sd_polar_hydrogen_

core::Real const	bond_angle_sd_

core::Real const	bond_angle_sd_polar_hydrogen_

core::Real const	bond_torsion_sd_

core::Real const	bond_torsion_sd_polar_hydrogen_

core::scoring::ScoreType	score_type_

bool	just_rna_backbone_

bool	just_polar_hydrogens_

bool const	legacy_dof_allow_move_

bool const	verbose_

bool	fix_lengths_

bool	fix_angles_

bool	fix_torsions_

bool	disallow_vary_geometry_proton_chi_

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

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 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

Idealization is generally performed by adding constraints to the Pose that keep bond lengths and angles within the appropriate ranges; then freeing those DOFs and performing minimization or sampling. This protocols::moves::Mover creates bond and angle constraints compatible with idealization; it does not modify the input Pose other than by adding constraints. If your pose is already ideal, this is likely to unidealize it. Also, it will add a LOT of degrees of freedom to your minimization, which may lead to significant slowdowns!

Constructor & Destructor Documentation

◆ ConstrainToIdealMover()

protocols::simple_moves::ConstrainToIdealMover::ConstrainToIdealMover ( )

◆ ~ConstrainToIdealMover()

protocols::simple_moves::ConstrainToIdealMover::~ConstrainToIdealMover ( )

overridedefault

Member Function Documentation

◆ add_bond_angle_constraint()

void protocols::simple_moves::ConstrainToIdealMover::add_bond_angle_constraint	(	core::id::AtomID const &	atom_id1,
		core::id::AtomID const &	atom_id2,
		core::id::AtomID const &	atom_id3,
		utility::vector1< std::pair< core::id::AtomID, std::pair< core::id::AtomID, core::id::AtomID > > > &	bond_angle_list,
		core::pose::Pose const &	pose,
		core::pose::Pose const &	pose_reference,
		core::scoring::constraints::ConstraintSetOP &	cst_set
	)		const

private

References core::conformation::Residue::atom_name(), core::chemical::ResidueType::atom_type(), core::id::AtomID::atomno(), bond_angle_sd_, bond_angle_sd_polar_hydrogen_, check_in_bond_angle_list(), core::conformation::Residue::has(), core::chemical::AtomType::is_polar_hydrogen(), core::conformation::Residue::is_virtual(), core::pose::Pose::residue(), core::pose::Pose::residue_type(), core::id::AtomID::rsd(), score_type_, protocols::simple_moves::TR(), verbose_, and core::conformation::Residue::xyz().

Referenced by vary_bond_geometry().

◆ add_bond_dihedral_constraint()

void protocols::simple_moves::ConstrainToIdealMover::add_bond_dihedral_constraint	(	core::id::AtomID const &	atom_id1,
		core::id::AtomID const &	atom_id2,
		core::id::AtomID const &	atom_id3,
		core::id::AtomID const &	atom_id4,
		core::pose::Pose const &	pose,
		core::pose::Pose const &	pose_reference,
		core::scoring::constraints::ConstraintSetOP &	cst_set
	)		const

private

References core::conformation::Residue::atom_name(), core::chemical::ResidueType::atom_type(), core::id::AtomID::atomno(), bond_torsion_sd_, bond_torsion_sd_polar_hydrogen_, core::conformation::Residue::has(), core::chemical::AtomType::is_polar_hydrogen(), core::conformation::Residue::is_virtual(), core::pose::Pose::residue(), core::pose::Pose::residue_type(), core::id::AtomID::rsd(), score_type_, protocols::simple_moves::TR(), verbose_, and core::conformation::Residue::xyz().

Referenced by vary_bond_geometry().

◆ add_bond_length_constraint()

void protocols::simple_moves::ConstrainToIdealMover::add_bond_length_constraint	(	core::id::AtomID const &	atom_id1,
		core::id::AtomID const &	atom_id2,
		utility::vector1< std::pair< core::id::AtomID, core::id::AtomID > > &	bonded_atom_list,
		core::pose::Pose const &	pose,
		core::pose::Pose const &	pose_reference,
		core::scoring::constraints::ConstraintSetOP &	cst_set
	)		const

private

References core::conformation::Residue::atom_name(), core::chemical::ResidueType::atom_type(), core::id::AtomID::atomno(), bond_length_sd_, bond_length_sd_polar_hydrogen_, check_in_bonded_list(), core::conformation::Residue::has(), core::chemical::AtomType::is_polar_hydrogen(), core::conformation::Residue::is_virtual(), core::pose::Pose::residue(), core::pose::Pose::residue_type(), core::id::AtomID::rsd(), score_type_, protocols::simple_moves::TR(), verbose_, core::pose::Pose::xyz(), and core::conformation::Residue::xyz().

Referenced by vary_bond_geometry().

◆ apply() [1/3]

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

overridevirtual

This code will modify your input pose by adding constraints which will trend bond lengths and angles towards ideal.

Implements protocols::moves::Mover.

References apply(), and atom_level_domain_map_.

Referenced by protocols::simple_moves::setup_vary_polar_hydrogen_geometry(), and protocols::simple_moves::setup_vary_rna_bond_geometry().

◆ apply() [2/3]

void protocols::simple_moves::ConstrainToIdealMover::apply	(	core::pose::Pose &	pose,
		core::kinematics::MoveMap &	mm
	)

This code will modify your input pose by adding constraints which will trend bond lengths and angles towards ideal. If you input a movemap via set_movemap, that movemap will be modified to free the same set of bond lengths and angles (needs some testing).

References create_pose_reference(), and vary_bond_geometry().

◆ apply() [3/3]

virtual void protocols::moves::Mover::apply

Main Method.

Referenced by apply().

◆ check_if_really_connected()

bool protocols::simple_moves::ConstrainToIdealMover::check_if_really_connected	(	core::pose::Pose const &	pose,
		core::id::AtomID const &	atom_id1,
		core::id::AtomID const &	atom_id2
	)		const

private

References core::kinematics::AtomTree::atom(), core::pose::Pose::atom_tree(), core::kinematics::tree::Atom::get_self_ptr(), and core::id::AtomID::rsd().

Referenced by vary_bond_geometry().

◆ check_in_bond_angle_list()

bool protocols::simple_moves::ConstrainToIdealMover::check_in_bond_angle_list	(	core::id::AtomID const &	atom_id1,
		core::id::AtomID const &	atom_id2,
		core::id::AtomID const &	atom_id3,
		utility::vector1< std::pair< core::id::AtomID, std::pair< core::id::AtomID, core::id::AtomID > > > &	bond_angle_list
	)		const

private

Referenced by add_bond_angle_constraint().

◆ check_in_bonded_list()

bool protocols::simple_moves::ConstrainToIdealMover::check_in_bonded_list	(	core::id::AtomID const &	atom_id1,
		core::id::AtomID const &	atom_id2,
		utility::vector1< std::pair< core::id::AtomID, core::id::AtomID > > &	bonded_atom_list
	)		const

private

Referenced by add_bond_length_constraint().

◆ clone()

protocols::moves::MoverOP protocols::simple_moves::ConstrainToIdealMover::clone ( ) const

overridevirtual

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.

◆ create_pose_reference()

void protocols::simple_moves::ConstrainToIdealMover::create_pose_reference	(	core::pose::Pose const &	pose,
		core::pose::Pose &	pose_reference
	)

privatevirtual

this function generates a "reference pose" for the input pose that has the same chemistry (as best as possible), but has ideal angles and bond lengths. These are then used to generate the constraints later. Virtual in case you want to make the reference in a different fashion.

References core::pose::Pose::annotated_sequence(), protocols::simple_moves::apply_ideal_coordinates_for_alternative_pucker(), core::chemical::FA_STANDARD, and core::pose::make_pose_from_sequence().

Referenced by apply().

◆ fresh_instance()

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

overridevirtual

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.

◆ get_atom_level_domain_map()

core::pose::toolbox::AtomLevelDomainMapCOP protocols::simple_moves::ConstrainToIdealMover::get_atom_level_domain_map ( ) const

getter for AtomLevelDomainMap

References atom_level_domain_map_.

Referenced by operator=().

◆ get_name()

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

overridevirtual

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

Implements protocols::moves::Mover.

◆ i_want_this_atom_to_move() [1/2]

bool protocols::simple_moves::ConstrainToIdealMover::i_want_this_atom_to_move	(	core::conformation::Residue const &	residue2,
		core::Size const &	k
	)		const

privatevirtual

returns whether or not this atom should move during idealiation categorically; mostly boils down to "don't move the sidechains". Virtual in case you want to deny using a different metric.

References atom_level_domain_map_, protocols::simple_moves::check_if_proton_chi_atom(), disallow_vary_geometry_proton_chi_, core::chemical::rna::first_base_atom_index(), core::conformation::Residue::first_sidechain_atom(), core::conformation::Residue::Hpos_polar(), core::conformation::Residue::is_RNA(), core::conformation::Residue::is_virtual(), just_polar_hydrogens_, just_rna_backbone_, core::conformation::Residue::seqpos(), and core::conformation::Residue::type().

◆ i_want_this_atom_to_move() [2/2]

bool protocols::simple_moves::ConstrainToIdealMover::i_want_this_atom_to_move	(	core::pose::Pose const &	pose,
		core::id::AtomID const &	atom_id
	)		const

privatevirtual

maps to other version of function; should this type of atom be moved during idealization?

References core::id::AtomID::atomno(), core::pose::Pose::residue(), and core::id::AtomID::rsd().

Referenced by vary_bond_geometry().

◆ operator=()

ConstrainToIdealMover & protocols::simple_moves::ConstrainToIdealMover::operator= ( ConstrainToIdealMover const & rhs )

References atom_level_domain_map_, get_atom_level_domain_map(), just_polar_hydrogens_, and just_rna_backbone_.

◆ set_atom_level_domain_map()

void protocols::simple_moves::ConstrainToIdealMover::set_atom_level_domain_map ( core::pose::toolbox::AtomLevelDomainMapCOP atom_level_domain_map )

setter for AtomLevelDomainMap; makes a shallow copy

setter for AtomLevelDomainMap; shallow copy

References atom_level_domain_map_.

Referenced by protocols::simple_moves::setup_vary_polar_hydrogen_geometry(), and protocols::simple_moves::setup_vary_rna_bond_geometry().

◆ set_fix_angles()

void protocols::simple_moves::ConstrainToIdealMover::set_fix_angles ( bool const & setting )

inline

References fix_angles_.

◆ set_fix_lengths()

void protocols::simple_moves::ConstrainToIdealMover::set_fix_lengths ( bool const & setting )

inline

References fix_lengths_.

◆ set_fix_torsions()

void protocols::simple_moves::ConstrainToIdealMover::set_fix_torsions ( bool const & setting )

inline

References fix_torsions_.

◆ set_just_polar_hydrogens()

void protocols::simple_moves::ConstrainToIdealMover::set_just_polar_hydrogens ( bool const setting )

inline

References just_polar_hydrogens_.

Referenced by protocols::simple_moves::setup_vary_polar_hydrogen_geometry().

◆ set_just_rna_backbone()

void protocols::simple_moves::ConstrainToIdealMover::set_just_rna_backbone ( bool const setting )

inline

References just_rna_backbone_.

Referenced by protocols::simple_moves::setup_vary_rna_bond_geometry().

◆ set_score_type()

void protocols::simple_moves::ConstrainToIdealMover::set_score_type ( core::scoring::ScoreType const setting )

References score_type_.

Referenced by protocols::simple_moves::setup_vary_polar_hydrogen_geometry(), and protocols::simple_moves::setup_vary_rna_bond_geometry().

◆ vary_bond_geometry()

void protocols::simple_moves::ConstrainToIdealMover::vary_bond_geometry	(	core::pose::Pose &	pose,
		core::kinematics::MoveMap &	mm,
		core::pose::Pose const &	pose_reference
	)		const

private

@most of the work happens here. This modifies the movemap and adds constraints to the Pose that will gently idealize angles and bond lengths

References add_bond_angle_constraint(), add_bond_dihedral_constraint(), add_bond_length_constraint(), core::kinematics::AtomTree::atom(), atom_level_domain_map_, core::pose::Pose::atom_tree(), core::id::AtomID::atomno(), core::conformation::Conformation::bonded_neighbor_all_res(), protocols::simple_moves::check_if_proton_chi_atom(), check_if_really_connected(), core::pose::Pose::conformation(), core::pose::Pose::constraint_set(), core::id::D, fix_angles_, fix_lengths_, fix_torsions_, protocols::moves::Mover::get_self_ptr(), i_want_this_atom_to_move(), just_polar_hydrogens_, legacy_dof_allow_move_, core::conformation::Residue::natoms(), core::chemical::rings::PHI, core::chemical::rings::q, core::pose::Pose::residue(), core::id::AtomID::rsd(), core::kinematics::MoveMap::set(), core::pose::Pose::size(), and core::chemical::rings::THETA.

Referenced by apply().

Member Data Documentation

◆ atom_level_domain_map_

core::pose::toolbox::AtomLevelDomainMapCOP protocols::simple_moves::ConstrainToIdealMover::atom_level_domain_map_

private

atom_level_domain_map has info on which atoms should move; complementary to move_map (which instead focuses on DOFs).

Referenced by apply(), get_atom_level_domain_map(), i_want_this_atom_to_move(), operator=(), set_atom_level_domain_map(), and vary_bond_geometry().

◆ bond_angle_sd_

core::Real const protocols::simple_moves::ConstrainToIdealMover::bond_angle_sd_

private

Referenced by add_bond_angle_constraint().

◆ bond_angle_sd_polar_hydrogen_

core::Real const protocols::simple_moves::ConstrainToIdealMover::bond_angle_sd_polar_hydrogen_

private

Referenced by add_bond_angle_constraint().

◆ bond_length_sd_

core::Real const protocols::simple_moves::ConstrainToIdealMover::bond_length_sd_

private

Referenced by add_bond_length_constraint().

◆ bond_length_sd_polar_hydrogen_

core::Real const protocols::simple_moves::ConstrainToIdealMover::bond_length_sd_polar_hydrogen_

private

Referenced by add_bond_length_constraint().

◆ bond_torsion_sd_

core::Real const protocols::simple_moves::ConstrainToIdealMover::bond_torsion_sd_

private

Referenced by add_bond_dihedral_constraint().

◆ bond_torsion_sd_polar_hydrogen_

core::Real const protocols::simple_moves::ConstrainToIdealMover::bond_torsion_sd_polar_hydrogen_

private

Referenced by add_bond_dihedral_constraint().

◆ disallow_vary_geometry_proton_chi_

bool protocols::simple_moves::ConstrainToIdealMover::disallow_vary_geometry_proton_chi_

private

Referenced by i_want_this_atom_to_move().

◆ fix_angles_

bool protocols::simple_moves::ConstrainToIdealMover::fix_angles_

private

Referenced by set_fix_angles(), and vary_bond_geometry().

◆ fix_lengths_

bool protocols::simple_moves::ConstrainToIdealMover::fix_lengths_

private

Referenced by set_fix_lengths(), and vary_bond_geometry().

◆ fix_torsions_

bool protocols::simple_moves::ConstrainToIdealMover::fix_torsions_

private

Referenced by set_fix_torsions(), and vary_bond_geometry().

◆ just_polar_hydrogens_

bool protocols::simple_moves::ConstrainToIdealMover::just_polar_hydrogens_

private

Referenced by i_want_this_atom_to_move(), operator=(), set_just_polar_hydrogens(), and vary_bond_geometry().

◆ just_rna_backbone_

bool protocols::simple_moves::ConstrainToIdealMover::just_rna_backbone_

private

Referenced by i_want_this_atom_to_move(), operator=(), and set_just_rna_backbone().

◆ legacy_dof_allow_move_

bool const protocols::simple_moves::ConstrainToIdealMover::legacy_dof_allow_move_

private

Referenced by vary_bond_geometry().

◆ score_type_

core::scoring::ScoreType protocols::simple_moves::ConstrainToIdealMover::score_type_

private

Referenced by add_bond_angle_constraint(), add_bond_dihedral_constraint(), add_bond_length_constraint(), and set_score_type().

◆ verbose_

bool const protocols::simple_moves::ConstrainToIdealMover::verbose_

private

Referenced by add_bond_angle_constraint(), add_bond_dihedral_constraint(), and add_bond_length_constraint().

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

src/protocols/simple_moves/ConstrainToIdealMover.hh
src/protocols/simple_moves/ConstrainToIdealMover.cc

Public Member Functions

Private Member Functions

Private Attributes

Additional Inherited Members

Detailed Description

Constructor & Destructor Documentation

◆ ConstrainToIdealMover()

◆ ~ConstrainToIdealMover()

Member Function Documentation

◆ add_bond_angle_constraint()

◆ add_bond_dihedral_constraint()

◆ add_bond_length_constraint()

◆ apply() [1/3]

◆ apply() [2/3]

◆ apply() [3/3]

◆ check_if_really_connected()

◆ check_in_bond_angle_list()

◆ check_in_bonded_list()

◆ clone()

◆ create_pose_reference()

◆ fresh_instance()

◆ get_atom_level_domain_map()

◆ get_name()

◆ i_want_this_atom_to_move() [1/2]

◆ i_want_this_atom_to_move() [2/2]

◆ operator=()

◆ set_atom_level_domain_map()

◆ set_fix_angles()

◆ set_fix_lengths()

◆ set_fix_torsions()

◆ set_just_polar_hydrogens()

◆ set_just_rna_backbone()

◆ set_score_type()

◆ vary_bond_geometry()

Member Data Documentation

◆ atom_level_domain_map_

◆ bond_angle_sd_

◆ bond_angle_sd_polar_hydrogen_

◆ bond_length_sd_

◆ bond_length_sd_polar_hydrogen_

◆ bond_torsion_sd_

◆ bond_torsion_sd_polar_hydrogen_

◆ disallow_vary_geometry_proton_chi_

◆ fix_angles_

◆ fix_lengths_

◆ fix_torsions_

◆ just_polar_hydrogens_

◆ just_rna_backbone_

◆ legacy_dof_allow_move_

◆ score_type_

◆ verbose_