Rosetta  2021.16
 All Classes Namespaces Files Functions Variables Typedefs Enumerations Enumerator Friends Macros Pages
Public Member Functions | Protected Member Functions | Private Member Functions | Private Attributes | List of all members
protocols::mpi_refinement::MPI_Refine_Emperor Class Reference

#include <MPI_Refine_Emperor.hh>

Inheritance diagram for protocols::mpi_refinement::MPI_Refine_Emperor:
Inheritance graph
[legend]

Public Member Functions

 MPI_Refine_Emperor ()
 
 ~MPI_Refine_Emperor () override=default
 
void set_defaults ()
 
void go () override
 
- Public Member Functions inherited from protocols::mpi_refinement::MPI_Refinement
 MPI_Refinement (char machine_letter)
 
void set_defaults ()
 
 ~MPI_Refinement () override=default
 
- Public Member Functions inherited from protocols::wum::MPI_WorkUnitManager
 MPI_WorkUnitManager (char machine_letter)
 
 ~MPI_WorkUnitManager () override=default
 
- Public Member Functions inherited from protocols::wum::WorkUnitManager
 WorkUnitManager ()
 
 ~WorkUnitManager () override=default
 
void register_work_units (const protocols::wum::WorkUnitList &work_unit_list)
 
WorkUnitQueueoutbound ()
 
WorkUnitQueueinbound ()
 
const WorkUnitQueueoutbound () const
 
const WorkUnitQueueinbound () const
 

Protected Member Functions

void init () override
 
void process_inbound_wus () override
 
void process_outbound_wus () override
 
bool add_structures_to_library (protocols::wum::SilentStructStore &new_structs, std::string add_algorithm="") override
 
- Protected Member Functions inherited from protocols::mpi_refinement::MPI_Refinement
void load_structures_from_cmdline_into_library (protocols::wum::SilentStructStore &library)
 
void save_state (std::string prefix="default")
 
void save_state_auto ()
 
void load_state (std::string prefix="default")
 
void print_stats () override
 Print a line with general run statistics, now. More...
 
void print_summary (std::string const prefix="SUMM ")
 
void print_library (protocols::wum::SilentStructStore &library, std::string const prefix="LIB ")
 
virtual bool add_structure_to_library (core::io::silent::SilentStructOP pss, std::string add_algorithm="")
 
bool add_structure_to_library_direct (core::io::silent::SilentStruct &pss)
 
bool add_structure_to_library_add_n_replace (core::io::silent::SilentStruct &pss)
 
bool add_structure_to_library_single_replace (core::io::silent::SilentStruct &pss)
 
void update_library_NSGAII (protocols::wum::SilentStructStore &new_structs)
 
void setup_multi_objective ()
 
void send_sortedpick_library_structs (core::Size dest_rank, core::Size nsend, std::string const scorename, bool const weighted, bool const inverse=false, core::Real const kT=0.2)
 
void send_random_library_structs (core::Size dest_rank, core::Size nsend)
 
void send_random_library_struct (core::Size dest_rank, core::Size ssid) const
 
void limit_library ()
 
void shave_library (protocols::wum::SilentStructStore &new_structs, std::string const scorename, core::Real const frac) const
 
void dump_structures (const protocols::wum::SilentStructStore &new_structs, bool score_only=true, std::string const prefix="") const
 
void set_ident_string (std::string new_ident)
 
void report_time () const
 
const std::string & mpi_resume ()
 
core::Sizetotaltime_loophash ()
 
protocols::wum::SilentStructStorelibrary_central ()
 
protocols::wum::SilentStructStorelibrary_ref ()
 
const std::string & mpi_feedback ()
 
void set_mpi_feedback (const std::string &mpi_feedback)
 
core::Size max_lib_size ()
 
core::Size max_ref_lib_size ()
 
void set_max_lib_size (core::Size max_lib_size)
 
void set_max_ref_lib_size (core::Size max_ref_lib_size)
 
core::Real score (const core::io::silent::SilentStructOP &ss) const
 
void retag_library (protocols::wum::SilentStructStore &store, std::string const prefix) const
 
std::string format_silent_struct (const core::io::silent::SilentStructOP &ss) const
 
core::Real score (const core::io::silent::SilentStruct &ss) const
 
std::string format_silent_struct (const core::io::silent::SilentStruct &ss) const
 
- Protected Member Functions inherited from protocols::wum::MPI_WorkUnitManager
virtual void print_stats_auto ()
 Print a line with general run statistics, only if enough time has pased since the last statistics printout. More...
 
void reset_timing_stats ()
 Reset all the stats counters. More...
 
void process_incoming_msgs (bool wait_until_message=false)
 MPI Communication function. More...
 
void send_MPI_workunit (const WorkUnitBaseOP &wu, int dest_rank) const
 Send a workunit to an arbitrary recipient. More...
 
void receive_MPI_workunit (core::Size node_rank=MPI_ANY_SOURCE)
 Receive a workunit and add it to the inbound queue. By default accept any workunit or accept a specific source rank. Note that this function is blocking and will onyl return once a workunit has been received. More...
 
void send_next_WU_on_request ()
 
char get_machine_letter ()
 How many masters are there in total ? More...
 
core::Real start_timer (MPI_TIMING timing_mode) const
 This initiates a new timer block. Note that there is no end_timer() function - you just keep calling start_timer, which automatically ends the previous block (and records times etc) More...
 
void print_timing_stats ()
 Display the timing statistics. More...
 
long wall_time () const
 Return the total life time of this class in seconds. More...
 
- Protected Member Functions inherited from protocols::wum::WorkUnitManager
const
protocols::wum::WorkUnitList
work_unit_list () const
 
protocols::wum::WorkUnitListwork_unit_list ()
 
void write_queues_to_file (const std::string &prefix="default") const
 
void write_work_unit (const WorkUnitBaseOP &wu, std::ostream &out) const
 
void write_queue (const WorkUnitQueue &the_queue, std::ostream &out) const
 
void read_queues_from_file (const std::string &prefix="default")
 
bool read_work_unit (WorkUnitBaseOP &qualified_wu, std::istream &in)
 
void read_queue (WorkUnitQueue &the_queue, std::istream &in)
 
core::Size mem_foot_print () const
 return total memory foot print in bytes More...
 

Private Member Functions

bool process_termination ()
 

Private Attributes

bool process_termination_
 
bool termination_broadcasted_
 
std::map< core::Size, boolmasters_done_
 
core::Size max_emperor_lib_round_
 
bool dump_rounds_
 
core::Size n_accept_cummul_
 
core::Size n_addcall_
 
core::Size n_change_emperor_report_
 
core::Size n_addcall_emperor_report_
 
core::Size n_dump_
 

Additional Inherited Members

- Public Types inherited from protocols::wum::WorkUnitManager
typedef WorkUnitQueue::iterator iterator
 
typedef
WorkUnitQueue::const_iterator 
const_iterator
 
- Protected Types inherited from protocols::wum::MPI_WorkUnitManager
enum  MPI_TIMING {
  TIMING_WAIT =0, TIMING_TRANSFER_SEND, TIMING_TRANSFER_RECV, TIMING_CPU,
  TIMING_IO_WRITE, TIMING_IO_READ, TIMING_IDLE, TIMING_end
}
 
- Protected Attributes inherited from protocols::mpi_refinement::MPI_Refinement
MultiObjectiveOP fobj_
 
core::Size starttime_
 
core::Size totaltime_loophash_
 
core::Size n_loophash_
 
core::Size totaltime_batchrelax_
 
core::Size n_batchrelax_
 
core::Size total_structures_
 
core::Size total_structures_relax_
 
core::Size total_metropolis_
 
core::Size total_metropolis_accepts_
 
bool native_given_
 
core::pose::Pose native_pose_
 
core::pose::Pose pose0_
 

Constructor & Destructor Documentation

protocols::mpi_refinement::MPI_Refine_Emperor::MPI_Refine_Emperor ( )
inline

References set_defaults().

protocols::mpi_refinement::MPI_Refine_Emperor::~MPI_Refine_Emperor ( )
overridedefault

Member Function Documentation

bool protocols::mpi_refinement::MPI_Refine_Emperor::add_structures_to_library ( protocols::wum::SilentStructStore new_structs,
std::string  add_algorithm = "" 
)
overrideprotectedvirtual
void protocols::mpi_refinement::MPI_Refine_Emperor::go ( )
overridevirtual
void protocols::mpi_refinement::MPI_Refine_Emperor::init ( void  )
overrideprotectedvirtual
void protocols::mpi_refinement::MPI_Refine_Emperor::process_inbound_wus ( )
overrideprotectedvirtual
void protocols::mpi_refinement::MPI_Refine_Emperor::process_outbound_wus ( )
overrideprotectedvirtual
bool protocols::mpi_refinement::MPI_Refine_Emperor::process_termination ( )
private
void protocols::mpi_refinement::MPI_Refine_Emperor::set_defaults ( )

Referenced by MPI_Refine_Emperor().

Member Data Documentation

bool protocols::mpi_refinement::MPI_Refine_Emperor::dump_rounds_
private
std::map< core::Size, bool > protocols::mpi_refinement::MPI_Refine_Emperor::masters_done_
private
core::Size protocols::mpi_refinement::MPI_Refine_Emperor::max_emperor_lib_round_
private
core::Size protocols::mpi_refinement::MPI_Refine_Emperor::n_accept_cummul_
private
core::Size protocols::mpi_refinement::MPI_Refine_Emperor::n_addcall_
private
core::Size protocols::mpi_refinement::MPI_Refine_Emperor::n_addcall_emperor_report_
private
core::Size protocols::mpi_refinement::MPI_Refine_Emperor::n_change_emperor_report_
private
core::Size protocols::mpi_refinement::MPI_Refine_Emperor::n_dump_
private
bool protocols::mpi_refinement::MPI_Refine_Emperor::process_termination_
private
bool protocols::mpi_refinement::MPI_Refine_Emperor::termination_broadcasted_
private

The documentation for this class was generated from the following files: