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Rosetta 3.5
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Rosetta 3.5
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#include <UnfoldedStateEnergyCalculatorMover.hh>
Public Member Functions | |
| UnfoldedStateEnergyCalculatorMover (UnfoldedStateEnergyCalculatorJobDistributor &job_dist, core::scoring::ScoreFunctionCOP pack_scrfxn, core::scoring::ScoreFunctionCOP score_scrfxn, core::Size frag_length, std::string mut_aa, bool repack_fragments, bool native_sequence) | |
| ctor More... | |
| virtual | ~UnfoldedStateEnergyCalculatorMover () |
| dtor More... | |
| UnfoldedStateEnergyCalculatorMover (UnfoldedStateEnergyCalculatorMover const &usecm) | |
| cctor More... | |
| virtual protocols::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). More... | |
| virtual void | apply (Pose &pose) |
| virtual std::string | get_name () const |
| Each derived class must specify its name. The class name. 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... | |
 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... | |
| void | set_current_job (protocols::jobdist::BasicJobCOP job) |
| jobdist::BasicJobCOP | get_current_job () const |
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::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... | |
Definition at line 46 of file UnfoldedStateEnergyCalculatorMover.hh.
| protocols::unfolded_state_energy_calculator::UnfoldedStateEnergyCalculatorMover::UnfoldedStateEnergyCalculatorMover | ( | UnfoldedStateEnergyCalculatorJobDistributor & | job_dist, |
| core::scoring::ScoreFunctionCOP | pack_scrfxn, | ||
| core::scoring::ScoreFunctionCOP | score_scrfxn, | ||
| core::Size | frag_length, | ||
| std::string | mut_aa, | ||
| bool | repack_fragments, | ||
| bool | native_sequence | ||
| ) |
ctor
alternate ctor
Definition at line 77 of file UnfoldedStateEnergyCalculatorMover.cc.
Referenced by fresh_instance().
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virtual |
dtor
Definition at line 60 of file UnfoldedStateEnergyCalculatorMover.cc.
| protocols::unfolded_state_energy_calculator::UnfoldedStateEnergyCalculatorMover::UnfoldedStateEnergyCalculatorMover | ( | UnfoldedStateEnergyCalculatorMover const & | usecm) |
cctor
Definition at line 64 of file UnfoldedStateEnergyCalculatorMover.cc.
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virtual |
Implements protocols::moves::Mover.
Definition at line 106 of file UnfoldedStateEnergyCalculatorMover.cc.
References protocols::unfolded_state_energy_calculator::UnfoldedStateEnergyCalculatorJobDistributor::add_unfolded_energy_data(), core::pose::Pose::append_residue_by_bond(), core::pose::Pose::append_residue_by_jump(), core::pose::Pose::chain(), core::conformation::ResidueFactory::create_residue(), frag_length_, core::chemical::ResidueType::has_property(), core::chemical::ResidueType::is_NA(), core::chemical::ResidueType::is_polymer(), core::chemical::ResidueType::is_protein(), job_dist_, mut_aa_, native_sequence_, core::pack::pack_rotamers(), pack_scrfxn_, repack_fragments_, core::pose::Pose::replace_residue(), core::pose::Pose::residue(), protocols::unfolded_state_energy_calculator::UnfoldedStateEnergyCalculatorJobDistributor::set_energy_terms(), core::pose::Pose::total_residue(), protocols::moves::Mover::type(), and core::conformation::Residue::type().
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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.
Definition at line 100 of file UnfoldedStateEnergyCalculatorMover.cc.
References UnfoldedStateEnergyCalculatorMover().
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virtual |
Each derived class must specify its name. The class name.
Implements protocols::moves::Mover.
Definition at line 264 of file UnfoldedStateEnergyCalculatorMover.cc.
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virtual |
this function informs the job distributor (august 08 vintage) whether this object needs to be freshly regenerated on each use.
Movers default to not regenerating
Reimplemented from protocols::moves::Mover.
Definition at line 269 of file UnfoldedStateEnergyCalculatorMover.cc.
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virtual |
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).
Movers default to not regenerating
Reimplemented from protocols::moves::Mover.
Definition at line 275 of file UnfoldedStateEnergyCalculatorMover.cc.
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private |
Definition at line 110 of file UnfoldedStateEnergyCalculatorMover.hh.
Referenced by apply().
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Definition at line 100 of file UnfoldedStateEnergyCalculatorMover.hh.
Referenced by apply().
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Definition at line 113 of file UnfoldedStateEnergyCalculatorMover.hh.
Referenced by apply().
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Definition at line 119 of file UnfoldedStateEnergyCalculatorMover.hh.
Referenced by apply().
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Definition at line 104 of file UnfoldedStateEnergyCalculatorMover.hh.
Referenced by apply().
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Definition at line 116 of file UnfoldedStateEnergyCalculatorMover.hh.
Referenced by apply().
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Definition at line 107 of file UnfoldedStateEnergyCalculatorMover.hh.
1.8.4