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Rosetta
2020.11
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#include <WorkUnit_LoopHash.hh>
Public Member Functions | |
WorkUnit_LoopHash (core::Size start_ir=0, core::Size end_ir=0, core::Size ssid=0) | |
void | run () override |
Run the workunit - overloaded by children of this class. More... | |
protocols::wum::WorkUnitBaseOP | clone () const override |
void | init_from_cmd (const core::Size mpi_rank) |
void | set_start (core::Size start_ir) |
void | set_end (core::Size end_ir) |
void | set_ssid (core::Size ssid) |
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WorkUnit_SilentStructStore () | |
~WorkUnit_SilentStructStore () override=default | |
protocols::wum::WorkUnitBaseOP | clone () const override |
void | run () override |
This Work unit doesnt do anything - its just keeps the structures. More... | |
void | serialize () override |
write decoys into serial data store overwritinge whatever was there before. It basically syncs the silent struct store with the derial data More... | |
void | deserialize () override |
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... | |
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WorkUnitBase () | |
~WorkUnitBase () override=default | |
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 | |
core::Size | get_start () |
core::Size | get_end () |
core::Size | get_ssid () |
void | set_defaults () |
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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 | |
LoopHashLibraryOP | library_ |
Additional Inherited Members | |
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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::loophash::WorkUnit_LoopHash::WorkUnit_LoopHash | ( | core::Size | start_ir = 0 , |
core::Size | end_ir = 0 , |
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core::Size | ssid = 0 |
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References set_defaults(), set_end(), set_ssid(), and set_start().
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inlineoverridevirtual |
Reimplemented from protocols::wum::WorkUnitBase.
References library_.
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inlineprotected |
References protocols::wum::WorkUnitBase::WU_Header::extra_data_2_, and protocols::wum::WorkUnitBase::header.
Referenced by run().
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inlineprotected |
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inlineprotected |
References protocols::wum::WorkUnitBase::WU_Header::extra_data_1_, and protocols::wum::WorkUnitBase::header.
Referenced by run().
void protocols::loophash::WorkUnit_LoopHash::init_from_cmd | ( | const core::Size | mpi_rank | ) |
References library_.
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overridevirtual |
Run the workunit - overloaded by children of this class.
Reimplemented from protocols::wum::WorkUnitBase.
References protocols::loophash::LoopHashSampler::build_structures(), core::chemical::CENTROID_t, protocols::wum::SilentStructStore::clear(), protocols::wum::WorkUnit_SilentStructStore::decoys(), protocols::wum::generate_unique_structure_id(), get_end(), core::io::silent::SilentStruct::get_energy(), protocols::wum::SilentStructStore::get_pose(), get_start(), protocols::wum::SilentStructStore::get_struct(), library_, protocols::loophash::LoopHashSampler::set_max_bbrms(), protocols::loophash::LoopHashSampler::set_max_rms(), protocols::loophash::LoopHashSampler::set_min_bbrms(), protocols::loophash::LoopHashSampler::set_min_rms(), protocols::loophash::LoopHashSampler::set_nonideal(), core::pose::set_ss_from_phipsi(), protocols::loophash::LoopHashSampler::set_start_res(), protocols::loophash::LoopHashSampler::set_stop_res(), protocols::wum::SilentStructStore::size(), core::util::switch_to_residue_type_set(), and protocols::loophash::TR().
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protected |
References protocols::loophash::TR().
Referenced by WorkUnit_LoopHash().
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inline |
References protocols::wum::WorkUnitBase::WU_Header::extra_data_2_, and protocols::wum::WorkUnitBase::header.
Referenced by WorkUnit_LoopHash().
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inline |
References protocols::wum::WorkUnitBase::WU_Header::extra_data_3_, and protocols::wum::WorkUnitBase::header.
Referenced by WorkUnit_LoopHash().
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inline |
References protocols::wum::WorkUnitBase::WU_Header::extra_data_1_, and protocols::wum::WorkUnitBase::header.
Referenced by WorkUnit_LoopHash().
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private |
Referenced by clone(), init_from_cmd(), and run().