Public Member Functions | Protected Member Functions | Private Attributes | List of all members
protocols::relax::WorkUnit_BatchRelax_and_PostRescore Class Reference

#include <WorkUnit_BatchRelax.hh>

Inheritance diagram for protocols::relax::WorkUnit_BatchRelax_and_PostRescore:
Inheritance graph

Public Member Functions

 WorkUnit_BatchRelax_and_PostRescore ()
 ~WorkUnit_BatchRelax_and_PostRescore () override
protocols::wum::WorkUnitBaseOP clone () const override
void set_defaults ()
void pre_process () override
void post_process () override
virtual void rescore_all_decoys ()
- Public Member Functions inherited from protocols::relax::WorkUnit_BatchRelax
 WorkUnit_BatchRelax ()
 WorkUnit_BatchRelax. More...
 ~WorkUnit_BatchRelax () override
void run () override
 Run the workunit - overloaded by children of this class. More...
void set_native_pose (core::pose::PoseCOP native_pose)
- Public Member Functions inherited from protocols::wum::WorkUnit_SilentStructStore
 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::SilentStructStoredecoys () const
 Accessor for decoy store. More...
protocols::wum::SilentStructStoredecoys ()
 Accessor for decoy store. More...
- Public Member Functions inherited from protocols::wum::WorkUnitBase
 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

void trim ()
- Protected Member Functions inherited from protocols::wum::WorkUnitBase
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...

Constructor & Destructor Documentation

◆ WorkUnit_BatchRelax_and_PostRescore()

protocols::relax::WorkUnit_BatchRelax_and_PostRescore::WorkUnit_BatchRelax_and_PostRescore ( )

References set_defaults().

◆ ~WorkUnit_BatchRelax_and_PostRescore()

protocols::relax::WorkUnit_BatchRelax_and_PostRescore::~WorkUnit_BatchRelax_and_PostRescore ( )

Member Function Documentation

◆ clone()

protocols::wum::WorkUnitBaseOP protocols::relax::WorkUnit_BatchRelax_and_PostRescore::clone ( ) const

◆ post_process()

void protocols::relax::WorkUnit_BatchRelax_and_PostRescore::post_process ( )

◆ pre_process()

void protocols::relax::WorkUnit_BatchRelax_and_PostRescore::pre_process ( )

◆ rescore_all_decoys()

void protocols::relax::WorkUnit_BatchRelax_and_PostRescore::rescore_all_decoys ( )

◆ set_defaults()

void protocols::relax::WorkUnit_BatchRelax_and_PostRescore::set_defaults ( )

◆ trim()

void protocols::relax::WorkUnit_BatchRelax_and_PostRescore::trim ( )

Member Data Documentation

◆ ref_pose_

core::pose::Pose protocols::relax::WorkUnit_BatchRelax_and_PostRescore::ref_pose_

Referenced by rescore_all_decoys(), and set_defaults().

◆ trim_proportion_

core::Real protocols::relax::WorkUnit_BatchRelax_and_PostRescore::trim_proportion_

Referenced by pre_process(), set_defaults(), and trim().

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