Rosetta 3.4
Public Types | Public Member Functions
protocols::idealize::IdealizeMover Class Reference

Mover class for transforming a Pose to ideal bonds of the given Pose. The idea is that this Mover stochastically picks a move-able position, forces that position into ideal geometry, and tries to use minimization to bring the coordinates back to very near their starting points. More...

#include <IdealizeMover.hh>

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List of all members.

Public Types

typedef core::Real Real
typedef core::pose::Pose Pose

Public Member Functions

 IdealizeMover ()
virtual moves::MoverOP clone () const
 clone has to be overridden only if clone invocation is expected.
virtual moves::MoverOP fresh_instance () const
 this is like clone(), except it generates a new mover object freshly created with the default ctor. This function _should_ be pure virtual but that would disrupt the code base; MAKE SURE YOU DEFINE IT if you want to have your mover be a protocol handed to the job distributor (august 08 vintage).
IdealizeMoveratom_pair_constraint_weight (core::Real const setting)
IdealizeMovercoordinate_constraint_weight (core::Real const setting)
IdealizeMoverfast (bool const setting)
IdealizeMoverchainbreaks (bool const setting)
IdealizeMoverreport_CA_rmsd (bool const setting)
void apply (Pose &pose)
virtual std::string get_name () const
 Each derived class must specify its name. The class name.
void set_pos_list (utility::vector1< Size > pos_list)
 Sets the list of residue positions to idealize.
void parse_my_tag (utility::tag::TagPtr const tag, protocols::moves::DataMap &, protocols::filters::Filters_map const &, protocols::moves::Movers_map const &, core::pose::Pose const &)
 Called by MoverFactory when constructing new Movers. Takes care of the specific mover's parsing.
utility::vector1< core::Sizeignore_residues_in_csts () const
void ignore_residues_in_csts (utility::vector1< core::Size > const i)
void impose_constraints (bool const i)
bool impose_constraints () const
bool constraints_only () const
void constraints_only (bool const c)

Detailed Description

Mover class for transforming a Pose to ideal bonds of the given Pose. The idea is that this Mover stochastically picks a move-able position, forces that position into ideal geometry, and tries to use minimization to bring the coordinates back to very near their starting points.


Member Typedef Documentation

Reimplemented from protocols::moves::Mover.


Constructor & Destructor Documentation

protocols::idealize::IdealizeMover::IdealizeMover ( ) [inline]

Referenced by clone(), and fresh_instance().


Member Function Documentation

void protocols::idealize::IdealizeMover::apply ( pose::Pose pose) [virtual]
IdealizeMover& protocols::idealize::IdealizeMover::atom_pair_constraint_weight ( core::Real const  setting) [inline]
IdealizeMover& protocols::idealize::IdealizeMover::chainbreaks ( bool const  setting) [inline]
virtual moves::MoverOP protocols::idealize::IdealizeMover::clone ( ) const [inline, virtual]

clone has to be overridden only if clone invocation is expected.

Reimplemented from protocols::moves::Mover.

References IdealizeMover().

bool protocols::idealize::IdealizeMover::constraints_only ( ) const [inline]
void protocols::idealize::IdealizeMover::constraints_only ( bool const  c) [inline]
IdealizeMover& protocols::idealize::IdealizeMover::coordinate_constraint_weight ( core::Real const  setting) [inline]
IdealizeMover& protocols::idealize::IdealizeMover::fast ( bool const  setting) [inline]
virtual moves::MoverOP protocols::idealize::IdealizeMover::fresh_instance ( ) const [inline, virtual]

this is like clone(), except it generates a new mover object freshly created with the default ctor. This function _should_ be pure virtual but that would disrupt the code base; MAKE SURE YOU DEFINE IT if you want to have your mover be a protocol handed to the job distributor (august 08 vintage).

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.

References IdealizeMover().

std::string protocols::idealize::IdealizeMover::get_name ( ) const [virtual]

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

Implements protocols::moves::Mover.

void protocols::idealize::IdealizeMover::ignore_residues_in_csts ( utility::vector1< core::Size > const  i)
utility::vector1< core::Size > protocols::idealize::IdealizeMover::ignore_residues_in_csts ( ) const
bool protocols::idealize::IdealizeMover::impose_constraints ( ) const [inline]
void protocols::idealize::IdealizeMover::impose_constraints ( bool const  i) [inline]
void protocols::idealize::IdealizeMover::parse_my_tag ( utility::tag::TagPtr const  tag,
protocols::moves::DataMap data,
protocols::filters::Filters_map const &  filters,
protocols::moves::Movers_map const &  movers,
core::pose::Pose const &  pose 
) [virtual]

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 stop executions. This, however, calls attention to the lack of this method, which could be due to something as silly as a wrong parameters definition.

Reimplemented from protocols::moves::Mover.

References protocols::rosetta_scripts::get_resnum_list(), and protocols::idealize::TR().

IdealizeMover& protocols::idealize::IdealizeMover::report_CA_rmsd ( bool const  setting) [inline]
void protocols::idealize::IdealizeMover::set_pos_list ( utility::vector1< Size pos_list) [inline]

Sets the list of residue positions to idealize.


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