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Rosetta 3.5
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#include <WorkUnit_BatchRelax.hh>


Public Member Functions | |
| WorkUnit_BatchRelax_and_PostRescore () | |
| ~WorkUnit_BatchRelax_and_PostRescore () | |
| virtual protocols::wum::WorkUnitBaseOP | clone () const |
| void | set_defaults () |
| virtual void | pre_process () |
| virtual void | post_process () |
| virtual void | rescore_all_decoys () |
Public Member Functions inherited from protocols::relax::WorkUnit_BatchRelax | |
| WorkUnit_BatchRelax () | |
| WorkUnit_BatchRelax. More... | |
| ~WorkUnit_BatchRelax () | |
| virtual void | run () |
| This Work unit doesnt do anything - its just keeps the structures. More... | |
| void | set_native_pose (core::pose::PoseCOP native_pose) |
Public Member Functions inherited from protocols::wum::WorkUnit_SilentStructStore | |
| WorkUnit_SilentStructStore () | |
| virtual | ~WorkUnit_SilentStructStore () |
| virtual void | serialize () |
| write decoys into serial data store overwritinge whatever was there before. It basically syncs the silent struct store with the derial data More... | |
| virtual void | deserialize () |
| Make ready for working. More... | |
| const protocols::wum::SilentStructStore & | decoys () const |
| Accessor for decoy store. More... | |
| protocols::wum::SilentStructStore & | decoys () |
| Accessor for decoy store. More... | |
Public Member Functions inherited from protocols::wum::WorkUnitBase | |
| WorkUnitBase () | |
| virtual | ~WorkUnitBase () |
| virtual void | clear_serial_data () |
| Remove all data, make sure that the memory is also cleared, hence the cals to reserve. More... | |
| void | print (std::ostream &out, bool verbose=false) const |
| Print header information to the stream, single line by default or verbose if verbose is set to true. More... | |
| core::Size | id () |
| Accessor to the ID of the WorkUnit. More... | |
| core::Size | extra_data_1 () |
| Accessor to the extra_data_1 and 3 field of the header. More... | |
| core::Size | extra_data_3 () |
| void | add_blacklist (int mpi_rank) |
| Adds to the blacklist. More... | |
| void | clear_blacklist () |
| Erases the blacklist. More... | |
| bool | in_blacklist (int mpi_rank) |
| Finds in blacklist, true if is, false if it isn't. More... | |
| core::Size | get_run_time () |
| Returns the differrence between unix start and stop times. More... | |
| std::string | get_wu_type () const |
| Accessor to header structure, return the WorkUnit Type. More... | |
| void | set_wu_type (const std::string &text) |
| Accessor to header structure, sets the WorkUnit Type. More... | |
| std::string | get_options () const |
| Optain the options string from the header. More... | |
| virtual core::Size | mem_footprint () const |
| Return the memory usage of this WorkUnit. More... | |
| core::Size | last_received_from () |
Protected Member Functions | |
| void | trim () |
Private Attributes | |
| core::Real | trim_proportion_ |
| core::pose::Pose | ref_pose_ |
Additional Inherited Members | |
Protected Attributes inherited from protocols::relax::WorkUnit_BatchRelax | |
| core::pose::PoseCOP | native_pose_ |
| core::scoring::ScoreFunctionOP | scorefxn_ |
Definition at line 58 of file WorkUnit_BatchRelax.hh.
| protocols::relax::WorkUnit_BatchRelax_and_PostRescore::WorkUnit_BatchRelax_and_PostRescore | ( | ) |
Definition at line 146 of file WorkUnit_BatchRelax.cc.
References set_defaults().
Referenced by clone().
| protocols::relax::WorkUnit_BatchRelax_and_PostRescore::~WorkUnit_BatchRelax_and_PostRescore | ( | ) |
Definition at line 170 of file WorkUnit_BatchRelax.cc.
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virtual |
Reimplemented from protocols::relax::WorkUnit_BatchRelax.
Definition at line 173 of file WorkUnit_BatchRelax.cc.
References WorkUnit_BatchRelax_and_PostRescore().
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virtual |
Reimplemented from protocols::relax::WorkUnit_BatchRelax.
Definition at line 194 of file WorkUnit_BatchRelax.cc.
References rescore_all_decoys().
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virtual |
Reimplemented from protocols::relax::WorkUnit_BatchRelax.
Definition at line 182 of file WorkUnit_BatchRelax.cc.
References rescore_all_decoys(), trim(), and trim_proportion_.
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virtual |
Definition at line 200 of file WorkUnit_BatchRelax.cc.
References protocols::simple_moves::SuperimposeMover::apply(), protocols::electron_density::SetupForDensityScoringMover::apply(), protocols::relax::FastRelax::apply(), core::scoring::ScoreFunctionFactory::create_score_function(), protocols::wum::WorkUnit_SilentStructStore::decoys(), protocols::wum::SilentStructStore::end(), core::chemical::FA_STANDARD, core::pose::Pose::is_fullatom(), ref_pose_, protocols::relax::WorkUnit_BatchRelax::scorefxn_, protocols::simple_moves::SuperimposeMover::set_reference_pose(), core::util::switch_to_residue_type_set(), core::pose::Pose::total_residue(), and protocols::relax::TR().
Referenced by post_process(), and pre_process().
| void protocols::relax::WorkUnit_BatchRelax_and_PostRescore::set_defaults | ( | ) |
Definition at line 154 of file WorkUnit_BatchRelax.cc.
References core::chemical::FA_STANDARD, core::pose::Pose::is_fullatom(), core::import_pose::pose_from_pdb(), ref_pose_, core::util::switch_to_residue_type_set(), and trim_proportion_.
Referenced by WorkUnit_BatchRelax_and_PostRescore().
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protected |
Definition at line 279 of file WorkUnit_BatchRelax.cc.
References protocols::wum::WorkUnit_SilentStructStore::decoys(), protocols::wum::SilentStructStore::limit(), core::io::serialization::size(), protocols::wum::SilentStructStore::sort_by(), and trim_proportion_.
Referenced by pre_process().
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private |
Definition at line 83 of file WorkUnit_BatchRelax.hh.
Referenced by rescore_all_decoys(), and set_defaults().
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private |
Definition at line 82 of file WorkUnit_BatchRelax.hh.
Referenced by pre_process(), set_defaults(), and trim().
1.8.4