|
| WorkUnit_Relax (core::Size const relaxtype=0, core::Size const scoretype=0, core::Size const nrepeat=0, core::Real const cstweight=0.0) |
|
virtual
protocols::wum::WorkUnitBaseOP | clone () const |
|
virtual void | run () |
| This Work unit doesnt do anything - its just keeps the structures. More...
|
|
void | set_relaxtype (core::Size const setting) |
|
void | set_scoretype (core::Size const setting) |
|
void | set_nrepeat (core::Size const setting) |
|
void | set_cstweight (core::Real const setting) |
|
| WorkUnit_Sampler () |
|
virtual void | init_from_cmd (const core::Size mpi_rank) |
|
| 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...
|
|
| 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 () |
|
|
core::Size | get_relaxtype () const |
|
core::Size | get_scoretype () const |
|
core::Size | get_nrepeat () const |
|
core::Real | get_cstweight () const |
|
void | set_defaults () |
|
core::kinematics::MoveMapOP | get_movemap (core::pose::Pose const &pose, std::string const mode, bool const nonideal) const |
|
void | store_to_decoys (core::io::silent::SilentStructCOP start_struct, core::pose::Pose const pose, std::string const additional_tag="") |
|
void | store_to_decoys (core::io::silent::SilentStructCOP start_struct, core::io::silent::SilentStructOP ss, std::string const additional_tag="") |
|
void | repack (core::pose::Pose &pose, core::scoring::ScoreFunctionOP sfxn) |
|
void | ramp_minpack_loop2 (core::pose::Pose &pose, utility::vector1< core::Size > const loopres, core::scoring::ScoreFunctionCOP sfxn, bool const nonideal=true, bool const ramp=true, bool const efficient=false, core::Real dist_cut=0.0) |
|
void | superimpose_to_ref (core::pose::Pose const &pose_ref, core::pose::Pose &pose_work, utility::vector1< core::Size > exclude_res=utility::vector1< core::Size >(0)) const |
|
core::scoring::ScoreFunctionOP | get_energy (std::string const sfxn_name, bool const softpack=false, core::Real const weight_coord_cst=0.0) const |
|
void | revert_facts_params () const |
|
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...
|
|