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Rosetta 3.5
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#include <SidechainMinMover.hh>


Public Member Functions | |
| SidechainMinMover () | |
| Default constructor. More... | |
| SidechainMinMover (core::scoring::ScoreFunctionOP scorefxn) | |
| Constructor with one argument - the scoerfunction to minimize with. More... | |
| SidechainMinMover (core::scoring::ScoreFunctionOP scorefxn, core::kinematics::MoveMapOP movemap) | |
| Constructor with two arguments. The first is the scorefunction to minimize with, the second is a movemap. More... | |
| SidechainMinMover (core::scoring::ScoreFunctionOP scorefxn, core::pack::task::PackerTaskOP) | |
| Constructor with two arguments. The first is the scorefunction to minimize with, the second is a task. More... | |
| SidechainMinMover (core::scoring::ScoreFunctionOP scorefxn, core::pack::task::TaskFactoryCOP) | |
| Constructor with two arguments. The first is the scorefunction to minimize with, the second is a taskfactory. More... | |
| SidechainMinMover (core::Size rb_jump, core::scoring::ScoreFunctionOP scorefxn) | |
| Constructor with two arguments. The first is the jump that docking will occur over, the second is the scorefunction to minimize with. More... | |
| ~SidechainMinMover () | |
| void | set_default () |
| Completes the setup of a default instantiation of a SideChainMinMover. More... | |
| void | set_minmover (protocols::simple_moves::MinMoverOP minmover) |
| void | update_movemap (core::pose::Pose &pose) |
| virtual void | apply (core::pose::Pose &pose) |
| virtual std::string | get_name () const |
| Each derived class must specify its name. The class name. More... | |
Public Member Functions inherited from protocols::docking::DockingHighRes | |
| DockingHighRes () | |
| Default constructor. More... | |
| DockingHighRes (core::Size const rb_jump) | |
| Constructor with one argument - the jump number to dock over. More... | |
| DockingHighRes (core::Size const rb_jump, core::scoring::ScoreFunctionOP scorefxn) | |
| Constructor with two arguments. The first is thejump number, the second is a scorefunction that will be used for docking and packing. More... | |
| DockingHighRes (core::Size const rb_jump, core::scoring::ScoreFunctionOP scorefxn, core::scoring::ScoreFunctionOP scorefxn_pack) | |
| Constructor with three arguments. The first is the jump number, the second is a scorefunction that will be used for docking and the third is a scorefunction that will be used for packing. More... | |
| DockingHighRes (DockJumps const movable_jumps, core::scoring::ScoreFunctionOP scorefxn, core::scoring::ScoreFunctionOP scorefxn_pack) | |
| Constructor with three arguments. The first is the DockJumps, the second is a scorefunction that will be used for docking and the third is a scorefunction that will be used for packing. More... | |
| DockingHighRes (DockingHighRes const &old_instance) | |
| virtual | ~DockingHighRes () |
| void | set_task_factory (core::pack::task::TaskFactoryCOP tf) |
| void | set_ignore_default_task (bool ignore_default_task) |
| bool | ignore_default_task () |
| void | set_scorefxn (core::scoring::ScoreFunctionOP scorefxn) |
| void | set_scorefxn_pack (core::scoring::ScoreFunctionOP scorefxn_pack) |
| DockJumps & | movable_jumps () |
| DockJumps const & | movable_jumps () const |
| core::pack::task::TaskFactoryCOP | task_factory () |
| void | set_sc_min (bool sc_min) |
| void | set_rt_min (bool rt_min) |
| void | set_partners (std::string partners) |
| void | set_interface_definition_task_operation (protocols::toolbox::task_operations::InterfaceTaskOperationOP interface_definition) |
| void | set_additional_task_operarations (utility::vector1< core::pack::task::operation::TaskOperationOP > additional_task_operations) |
| void | add_additional_task_operaration (core::pack::task::operation::TaskOperationOP task_operation) |
| utility::vector1 < core::pack::task::operation::TaskOperationOP > | get_additional_task_operarations () |
| bool | sc_min () |
| bool | rt_min () |
| std::string | partners () |
| core::scoring::ScoreFunctionOP | scorefxn () const |
| core::scoring::ScoreFunctionOP | scorefxn_pack () const |
Public Member Functions inherited from protocols::moves::Mover | |
| Mover () | |
| virtual | ~Mover () |
| virtual MoverSP | create () |
| virtual void | apply (core::io::serialization::PipeMap &pmap) |
| virtual void | parse_state (SerializableState const &state) |
| virtual void | parse_def (utility::lua::LuaObject const &def, utility::lua::LuaObject const &score_fxns, utility::lua::LuaObject const &tasks, MoverCacheSP cache) |
| virtual void | save_state (SerializableState &state) |
| Mover (std::string const &type_name) | |
| sets the type for a mover; name_ has been removed (2010/05/14) More... | |
| Mover (Mover const &other) | |
| Mover & | operator= (Mover const &other) |
| assignment operator More... | |
| virtual core::Real | last_proposal_density_ratio () |
| std::string const & | type () const |
| 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... | |
| void | set_current_tag (std::string const &new_tag) |
| 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 | 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... | |
| void | type (const std::string &type_in) |
| virtual MoverOP | clone () const |
| clone has to be overridden only if clone invocation is expected. More... | |
| virtual void | parse_my_tag (TagPtr const tag, DataMap &data, Filters_map const &filters, Movers_map const &movers, Pose const &pose) |
| Called by MoverFactory when constructing new Movers. Takes care of the specific mover's parsing. More... | |
| std::string | get_type () const |
| 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... | |
| 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 bool | reinitialize_for_each_job () const |
| this function informs 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 |
| this function informs 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 |
| 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). More... | |
| void | set_current_job (protocols::jobdist::BasicJobCOP job) |
| jobdist::BasicJobCOP | get_current_job () const |
Protected Attributes | |
| protocols::simple_moves::MinMoverOP | minmover_ |
| core::kinematics::MoveMapOP | movemap_ |
| core::pack::task::PackerTaskOP | task_ |
| bool | update_movemap_ |
Additional Inherited Members | |
Public Types inherited from protocols::moves::Mover | |
| typedef utility::tag::TagPtr | TagPtr |
| typedef core::pose::Pose | Pose |
| typedef core::pose::PoseCOP | PoseCOP |
| typedef protocols::filters::Filters_map | Filters_map |
| 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. these options will end up in -help of your application if users of this mover call register_options. do this recursively! if you use movers within your mover, call their register_options in your register_options() method. More... | |
Protected Member Functions inherited from protocols::docking::DockingHighRes | |
| protocols::docking::DockTaskFactoryOP | tf2 () |
Definition at line 33 of file SidechainMinMover.hh.
| protocols::docking::SidechainMinMover::SidechainMinMover | ( | ) |
Default constructor.
Definition at line 53 of file SidechainMinMover.cc.
References core::scoring::ScoreFunctionFactory::create_score_function(), set_default(), protocols::docking::DockingHighRes::set_scorefxn(), protocols::moves::Mover::type(), and update_movemap_.
| protocols::docking::SidechainMinMover::SidechainMinMover | ( | core::scoring::ScoreFunctionOP | scorefxn) |
Constructor with one argument - the scoerfunction to minimize with.
Definition at line 63 of file SidechainMinMover.cc.
References set_default(), and protocols::moves::Mover::type().
| protocols::docking::SidechainMinMover::SidechainMinMover | ( | core::scoring::ScoreFunctionOP | scorefxn, |
| core::kinematics::MoveMapOP | movemap | ||
| ) |
Constructor with two arguments. The first is the scorefunction to minimize with, the second is a movemap.
Definition at line 71 of file SidechainMinMover.cc.
References set_default(), and protocols::moves::Mover::type().
| protocols::docking::SidechainMinMover::SidechainMinMover | ( | core::scoring::ScoreFunctionOP | scorefxn, |
| core::pack::task::PackerTaskOP | task | ||
| ) |
Constructor with two arguments. The first is the scorefunction to minimize with, the second is a task.
Definition at line 82 of file SidechainMinMover.cc.
References set_default(), and protocols::moves::Mover::type().
| protocols::docking::SidechainMinMover::SidechainMinMover | ( | core::scoring::ScoreFunctionOP | scorefxn, |
| core::pack::task::TaskFactoryCOP | tf | ||
| ) |
Constructor with two arguments. The first is the scorefunction to minimize with, the second is a taskfactory.
Definition at line 92 of file SidechainMinMover.cc.
References set_default(), protocols::docking::DockingHighRes::set_task_factory(), and protocols::moves::Mover::type().
| protocols::docking::SidechainMinMover::SidechainMinMover | ( | core::Size | rb_jump, |
| core::scoring::ScoreFunctionOP | scorefxn | ||
| ) |
Constructor with two arguments. The first is the jump that docking will occur over, the second is the scorefunction to minimize with.
Definition at line 103 of file SidechainMinMover.cc.
References set_default(), and protocols::moves::Mover::type().
| protocols::docking::SidechainMinMover::~SidechainMinMover | ( | ) |
Definition at line 110 of file SidechainMinMover.cc.
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virtual |
Implements protocols::docking::DockingHighRes.
Reimplemented in protocols::docking::InterfaceSidechainMinMover.
Definition at line 142 of file SidechainMinMover.cc.
References minmover_, update_movemap(), and update_movemap_.
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virtual |
Each derived class must specify its name. The class name.
Implements protocols::docking::DockingHighRes.
Reimplemented in protocols::docking::InterfaceSidechainMinMover.
Definition at line 125 of file SidechainMinMover.cc.
| void protocols::docking::SidechainMinMover::set_default | ( | ) |
Completes the setup of a default instantiation of a SideChainMinMover.
Definition at line 115 of file SidechainMinMover.cc.
References minmover_, movemap_, protocols::docking::DockingHighRes::scorefxn(), and update_movemap_.
Referenced by SidechainMinMover().
| void protocols::docking::SidechainMinMover::set_minmover | ( | protocols::simple_moves::MinMoverOP | minmover) |
Definition at line 112 of file SidechainMinMover.cc.
References minmover_.
| void protocols::docking::SidechainMinMover::update_movemap | ( | core::pose::Pose & | pose) |
Definition at line 130 of file SidechainMinMover.cc.
References movemap_, task_, protocols::docking::DockingHighRes::task_factory(), and core::pose::Pose::total_residue().
Referenced by apply().
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protected |
Definition at line 71 of file SidechainMinMover.hh.
Referenced by apply(), protocols::docking::InterfaceSidechainMinMover::apply(), set_default(), and set_minmover().
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protected |
Definition at line 72 of file SidechainMinMover.hh.
Referenced by protocols::docking::InterfaceSidechainMinMover::apply(), set_default(), and update_movemap().
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protected |
Definition at line 73 of file SidechainMinMover.hh.
Referenced by update_movemap().
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protected |
Definition at line 74 of file SidechainMinMover.hh.
Referenced by apply(), set_default(), and SidechainMinMover().
1.8.4