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Rosetta
2016.11
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Rosetta
2016.11
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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_2 () |
| core::Size | extra_data_3 () |
| void | set_extra_data_1 (core::Size const value) |
| void | set_extra_data_2 (core::Size const value) |
| void | set_extra_data_3 (core::Size const value) |
| 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... | |
| void | set_options (const std::string &text) |
| Accesor to the "options" text field. 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 () |
| Protected Member Functions inherited from protocols::wum::WorkUnitBase | |
| virtual void | create_unique_id () |
| Make a unique number out of Processor Number and unix timestamp ? More... | |
| std::string & | serial_data () |
| Accessor to the serial data field. More... | |
| const std::string & | serial_data () const |
| Accessor to the serial data field. More... | |
| void | set_run_start () |
| Set the unixtime of the start of the execution of this WorkUnit. More... | |
| void | set_run_stop () |
| Set the unixtime of the stop of the execution of this WorkUnit. More... | |
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_ |
| Protected Attributes inherited from protocols::wum::WorkUnitBase | |
| WU_Header | header |
| The header data. More... | |
| core::Size | last_received_from_ |
| Contains the serial number of whatever Rank/Node this WU was last receeived from. More... | |
| std::vector< int > | blacklist_ |
| Contains blacklist of nodes. This data is NOT sent, and is only used on the sending side to determine where not to send a workunit. More... | |
| protocols::relax::WorkUnit_BatchRelax_and_PostRescore::WorkUnit_BatchRelax_and_PostRescore | ( | ) |
References set_defaults().
Referenced by clone().
| protocols::relax::WorkUnit_BatchRelax_and_PostRescore::~WorkUnit_BatchRelax_and_PostRescore | ( | ) |
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virtual |
Reimplemented from protocols::relax::WorkUnit_BatchRelax.
References WorkUnit_BatchRelax_and_PostRescore().
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virtual |
Reimplemented from protocols::relax::WorkUnit_BatchRelax.
References rescore_all_decoys().
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virtual |
Reimplemented from protocols::relax::WorkUnit_BatchRelax.
References rescore_all_decoys(), trim(), and trim_proportion_.
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virtual |
References protocols::electron_density::SetupForDensityScoringMover::apply(), protocols::simple_moves::SuperimposeMover::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 | ( | ) |
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protected |
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private |
Referenced by rescore_all_decoys(), and set_defaults().
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private |
Referenced by pre_process(), set_defaults(), and trim().
1.8.7