mpi_refinement¶

Bindings for protocols::mpi_refinement namespace

pyrosetta.rosetta.protocols.mpi_refinement.CA_Sscore(*args, **kwargs)¶

Overloaded function.

CA_Sscore(ss1: pyrosetta.rosetta.core.io.silent.SilentStruct, ss2: pyrosetta.rosetta.core.io.silent.SilentStruct, rmsd: float, loopres: pyrosetta.rosetta.utility.vector1_unsigned_long) -> float
CA_Sscore(ss1: pyrosetta.rosetta.core.io.silent.SilentStruct, ss2: pyrosetta.rosetta.core.io.silent.SilentStruct, rmsd: float, loopres: pyrosetta.rosetta.utility.vector1_unsigned_long, superimpose: bool) -> float
CA_Sscore(ss1: pyrosetta.rosetta.core.io.silent.SilentStruct, ss2: pyrosetta.rosetta.core.io.silent.SilentStruct, rmsd: float, loopres: pyrosetta.rosetta.utility.vector1_unsigned_long, superimpose: bool, dbase: float) -> float

C++: protocols::mpi_refinement::CA_Sscore(class std::shared_ptr<class core::io::silent::SilentStruct>, class std::shared_ptr<class core::io::silent::SilentStruct>, double &, const class utility::vector1<unsigned long, class std::allocator<unsigned long> > &, const bool, const double) –> double

CA_Sscore(ss1: pyrosetta.rosetta.core.io.silent.SilentStruct, ss2: pyrosetta.rosetta.core.io.silent.SilentStruct, rmsd: float) -> float
CA_Sscore(ss1: pyrosetta.rosetta.core.io.silent.SilentStruct, ss2: pyrosetta.rosetta.core.io.silent.SilentStruct, rmsd: float, superimpose: bool) -> float
CA_Sscore(ss1: pyrosetta.rosetta.core.io.silent.SilentStruct, ss2: pyrosetta.rosetta.core.io.silent.SilentStruct, rmsd: float, superimpose: bool, dbase: float) -> float

C++: protocols::mpi_refinement::CA_Sscore(class std::shared_ptr<class core::io::silent::SilentStruct>, class std::shared_ptr<class core::io::silent::SilentStruct>, double &, const bool, const double) –> double

class pyrosetta.rosetta.protocols.mpi_refinement.Clusterer¶

Bases: pybind11_object

apply(self: pyrosetta.rosetta.protocols.mpi_refinement.Clusterer, structs: pyrosetta.rosetta.protocols.wum.SilentStructStore, ncluster: int, dist_cut: float) → pyrosetta.rosetta.protocols.wum.SilentStructStore¶: C++: protocols::mpi_refinement::Clusterer::apply(class protocols::wum::SilentStructStore, const unsigned long, const double) const –> class protocols::wum::SilentStructStore

assign(self: pyrosetta.rosetta.protocols.mpi_refinement.Clusterer, : pyrosetta.rosetta.protocols.mpi_refinement.Clusterer) → pyrosetta.rosetta.protocols.mpi_refinement.Clusterer¶: C++: protocols::mpi_refinement::Clusterer::operator=(const class protocols::mpi_refinement::Clusterer &) –> class protocols::mpi_refinement::Clusterer &

set_defaults(self: pyrosetta.rosetta.protocols.mpi_refinement.Clusterer) → None¶: C++: protocols::mpi_refinement::Clusterer::set_defaults() –> void

class pyrosetta.rosetta.protocols.mpi_refinement.MPI_Refine_Emperor¶

Bases: MPI_Refinement

assign(self: pyrosetta.rosetta.protocols.mpi_refinement.MPI_Refine_Emperor, : pyrosetta.rosetta.protocols.mpi_refinement.MPI_Refine_Emperor) → pyrosetta.rosetta.protocols.mpi_refinement.MPI_Refine_Emperor¶: C++: protocols::mpi_refinement::MPI_Refine_Emperor::operator=(const class protocols::mpi_refinement::MPI_Refine_Emperor &) –> class protocols::mpi_refinement::MPI_Refine_Emperor &

go(self: pyrosetta.rosetta.protocols.mpi_refinement.MPI_Refine_Emperor) → None¶: C++: protocols::mpi_refinement::MPI_Refine_Emperor::go() –> void

inbound(self: pyrosetta.rosetta.protocols.wum.WorkUnitManager) → pyrosetta.rosetta.protocols.wum.WorkUnitQueue¶: C++: protocols::wum::WorkUnitManager::inbound() –> class protocols::wum::WorkUnitQueue &

outbound(self: pyrosetta.rosetta.protocols.wum.WorkUnitManager) → pyrosetta.rosetta.protocols.wum.WorkUnitQueue¶: C++: protocols::wum::WorkUnitManager::outbound() –> class protocols::wum::WorkUnitQueue &

register_work_units(self: pyrosetta.rosetta.protocols.wum.WorkUnitManager, work_unit_list: pyrosetta.rosetta.protocols.wum.WorkUnitList) → None¶: C++: protocols::wum::WorkUnitManager::register_work_units(const class protocols::wum::WorkUnitList &) –> void

set_defaults(self: pyrosetta.rosetta.protocols.mpi_refinement.MPI_Refine_Emperor) → None¶: C++: protocols::mpi_refinement::MPI_Refine_Emperor::set_defaults() –> void

class pyrosetta.rosetta.protocols.mpi_refinement.MPI_Refine_Master¶

Bases: MPI_Refinement

assign(self: pyrosetta.rosetta.protocols.mpi_refinement.MPI_Refinement, : pyrosetta.rosetta.protocols.mpi_refinement.MPI_Refinement) → pyrosetta.rosetta.protocols.mpi_refinement.MPI_Refinement¶: C++: protocols::mpi_refinement::MPI_Refinement::operator=(const class protocols::mpi_refinement::MPI_Refinement &) –> class protocols::mpi_refinement::MPI_Refinement &

go(self: pyrosetta.rosetta.protocols.mpi_refinement.MPI_Refine_Master) → None¶: C++: protocols::mpi_refinement::MPI_Refine_Master::go() –> void

inbound(self: pyrosetta.rosetta.protocols.wum.WorkUnitManager) → pyrosetta.rosetta.protocols.wum.WorkUnitQueue¶: C++: protocols::wum::WorkUnitManager::inbound() –> class protocols::wum::WorkUnitQueue &

outbound(self: pyrosetta.rosetta.protocols.wum.WorkUnitManager) → pyrosetta.rosetta.protocols.wum.WorkUnitQueue¶: C++: protocols::wum::WorkUnitManager::outbound() –> class protocols::wum::WorkUnitQueue &

register_work_units(self: pyrosetta.rosetta.protocols.wum.WorkUnitManager, work_unit_list: pyrosetta.rosetta.protocols.wum.WorkUnitList) → None¶: C++: protocols::wum::WorkUnitManager::register_work_units(const class protocols::wum::WorkUnitList &) –> void

set_defaults(self: pyrosetta.rosetta.protocols.mpi_refinement.MPI_Refine_Master) → None¶: C++: protocols::mpi_refinement::MPI_Refine_Master::set_defaults() –> void

class pyrosetta.rosetta.protocols.mpi_refinement.MPI_Refinement¶

Bases: MPI_WorkUnitManager

assign(self: pyrosetta.rosetta.protocols.mpi_refinement.MPI_Refinement, : pyrosetta.rosetta.protocols.mpi_refinement.MPI_Refinement) → pyrosetta.rosetta.protocols.mpi_refinement.MPI_Refinement¶: C++: protocols::mpi_refinement::MPI_Refinement::operator=(const class protocols::mpi_refinement::MPI_Refinement &) –> class protocols::mpi_refinement::MPI_Refinement &

go(self: pyrosetta.rosetta.protocols.wum.MPI_WorkUnitManager) → None¶: C++: protocols::wum::MPI_WorkUnitManager::go() –> void

inbound(self: pyrosetta.rosetta.protocols.wum.WorkUnitManager) → pyrosetta.rosetta.protocols.wum.WorkUnitQueue¶: C++: protocols::wum::WorkUnitManager::inbound() –> class protocols::wum::WorkUnitQueue &

outbound(self: pyrosetta.rosetta.protocols.wum.WorkUnitManager) → pyrosetta.rosetta.protocols.wum.WorkUnitQueue¶: C++: protocols::wum::WorkUnitManager::outbound() –> class protocols::wum::WorkUnitQueue &

register_work_units(self: pyrosetta.rosetta.protocols.wum.WorkUnitManager, work_unit_list: pyrosetta.rosetta.protocols.wum.WorkUnitList) → None¶: C++: protocols::wum::WorkUnitManager::register_work_units(const class protocols::wum::WorkUnitList &) –> void

set_defaults(self: pyrosetta.rosetta.protocols.mpi_refinement.MPI_Refinement) → None¶: C++: protocols::mpi_refinement::MPI_Refinement::set_defaults() –> void

class pyrosetta.rosetta.protocols.mpi_refinement.MethodParams¶

Bases: pybind11_object

assign(self: pyrosetta.rosetta.protocols.mpi_refinement.MethodParams, : pyrosetta.rosetta.protocols.mpi_refinement.MethodParams) → pyrosetta.rosetta.protocols.mpi_refinement.MethodParams¶: C++: protocols::mpi_refinement::MethodParams::operator=(const struct protocols::mpi_refinement::MethodParams &) –> struct protocols::mpi_refinement::MethodParams &

property cstw¶

property fshave1¶

property fshave2¶

property fshave3¶

property index¶

property irun¶

property istart¶

property movertype¶

property name¶

property nperrun¶

property nrun¶

property relax_type¶

property rerelax_type¶

property roundtype¶

property score_type¶

class pyrosetta.rosetta.protocols.mpi_refinement.MultiObjective¶

Bases: pybind11_object

add_objective_function_info(*args, **kwargs)¶

Overloaded function.

add_objective_function_info(self: pyrosetta.rosetta.protocols.mpi_refinement.MultiObjective, ss: pyrosetta.rosetta.core.io.silent.SilentStruct, sstore: pyrosetta.rosetta.protocols.wum.SilentStructStore) -> None

C++: protocols::mpi_refinement::MultiObjective::add_objective_function_info(class std::shared_ptr<class core::io::silent::SilentStruct>, class protocols::wum::SilentStructStore &) const –> void

add_objective_function_info(self: pyrosetta.rosetta.protocols.mpi_refinement.MultiObjective, sstore: pyrosetta.rosetta.protocols.wum.SilentStructStore) -> None

C++: protocols::mpi_refinement::MultiObjective::add_objective_function_info(class protocols::wum::SilentStructStore &) const –> void

assign(self: pyrosetta.rosetta.protocols.mpi_refinement.MultiObjective, : pyrosetta.rosetta.protocols.mpi_refinement.MultiObjective) → pyrosetta.rosetta.protocols.mpi_refinement.MultiObjective¶: C++: protocols::mpi_refinement::MultiObjective::operator=(const class protocols::mpi_refinement::MultiObjective &) –> class protocols::mpi_refinement::MultiObjective &

calculate_pool_diversity(*args, **kwargs)¶

Overloaded function.

calculate_pool_diversity(self: pyrosetta.rosetta.protocols.mpi_refinement.MultiObjective, structs: pyrosetta.rosetta.protocols.wum.SilentStructStore) -> None

C++: protocols::mpi_refinement::MultiObjective::calculate_pool_diversity(class protocols::wum::SilentStructStore &) const –> void

calculate_pool_diversity(self: pyrosetta.rosetta.protocols.mpi_refinement.MultiObjective, structs1: pyrosetta.rosetta.protocols.wum.SilentStructStore, structs2: pyrosetta.rosetta.protocols.wum.SilentStructStore) -> None

C++: protocols::mpi_refinement::MultiObjective::calculate_pool_diversity(class protocols::wum::SilentStructStore &, class protocols::wum::SilentStructStore &) const –> void

filter_similar(*args, **kwargs)¶

Overloaded function.

filter_similar(self: pyrosetta.rosetta.protocols.mpi_refinement.MultiObjective, structs: pyrosetta.rosetta.protocols.wum.SilentStructStore, measure: str, criteria: float, score_for_priority: str) -> None
filter_similar(self: pyrosetta.rosetta.protocols.mpi_refinement.MultiObjective, structs: pyrosetta.rosetta.protocols.wum.SilentStructStore, measure: str, criteria: float, score_for_priority: str, nmax: int) -> None

C++: protocols::mpi_refinement::MultiObjective::filter_similar(class protocols::wum::SilentStructStore &, const std::string, const double, const std::string, const unsigned long) –> void

fobjnames(self: pyrosetta.rosetta.protocols.mpi_refinement.MultiObjective, i: int) → str¶: C++: protocols::mpi_refinement::MultiObjective::fobjnames(unsigned long) const –> std::string

formatted_objs_names(self: pyrosetta.rosetta.protocols.mpi_refinement.MultiObjective) → str¶: C++: protocols::mpi_refinement::MultiObjective::formatted_objs_names() const –> std::string

formatted_objs_values(self: pyrosetta.rosetta.protocols.mpi_refinement.MultiObjective, ss: pyrosetta.rosetta.core.io.silent.SilentStruct) → str¶: C++: protocols::mpi_refinement::MultiObjective::formatted_objs_values(const class core::io::silent::SilentStruct &) const –> std::string

get_fobj(*args, **kwargs)¶

Overloaded function.

get_fobj(self: pyrosetta.rosetta.protocols.mpi_refinement.MultiObjective, ss: pyrosetta.rosetta.core.io.silent.SilentStruct, i: int) -> float

C++: protocols::mpi_refinement::MultiObjective::get_fobj(const class core::io::silent::SilentStruct &, unsigned long) const –> double

get_fobj(self: pyrosetta.rosetta.protocols.mpi_refinement.MultiObjective, ss: pyrosetta.rosetta.core.io.silent.SilentStruct, name: str) -> float

C++: protocols::mpi_refinement::MultiObjective::get_fobj(const class core::io::silent::SilentStruct &, std::string) const –> double

get_fobj(self: pyrosetta.rosetta.protocols.mpi_refinement.MultiObjective, pss: pyrosetta.rosetta.core.io.silent.SilentStruct, i: int) -> float

C++: protocols::mpi_refinement::MultiObjective::get_fobj(class std::shared_ptr<const class core::io::silent::SilentStruct>, unsigned long) const –> double

get_scorefxn(self: pyrosetta.rosetta.protocols.mpi_refinement.MultiObjective, i: int) → pyrosetta.rosetta.core.scoring.ScoreFunction¶: C++: protocols::mpi_refinement::MultiObjective::get_scorefxn(const unsigned long) const –> class std::shared_ptr<class core::scoring::ScoreFunction>

has_score(self: pyrosetta.rosetta.protocols.mpi_refinement.MultiObjective, value: str) → bool¶: C++: protocols::mpi_refinement::MultiObjective::has_score(std::string) const –> bool

iha_cut(self: pyrosetta.rosetta.protocols.mpi_refinement.MultiObjective) → float¶: C++: protocols::mpi_refinement::MultiObjective::iha_cut() const –> double

iha_penalty_mode(self: pyrosetta.rosetta.protocols.mpi_refinement.MultiObjective) → str¶: C++: protocols::mpi_refinement::MultiObjective::iha_penalty_mode() const –> std::string

iha_penalty_slope(self: pyrosetta.rosetta.protocols.mpi_refinement.MultiObjective) → float¶: C++: protocols::mpi_refinement::MultiObjective::iha_penalty_slope() const –> double

init_pose(self: pyrosetta.rosetta.protocols.mpi_refinement.MultiObjective) → pyrosetta.rosetta.core.pose.Pose¶: C++: protocols::mpi_refinement::MultiObjective::init_pose() const –> class core::pose::Pose

nobjs(self: pyrosetta.rosetta.protocols.mpi_refinement.MultiObjective) → int¶: C++: protocols::mpi_refinement::MultiObjective::nobjs() const –> unsigned long

nremain_reset(self: pyrosetta.rosetta.protocols.mpi_refinement.MultiObjective) → int¶: C++: protocols::mpi_refinement::MultiObjective::nremain_reset() const –> unsigned long

set_iha_cut(self: pyrosetta.rosetta.protocols.mpi_refinement.MultiObjective, value: float) → None¶: C++: protocols::mpi_refinement::MultiObjective::set_iha_cut(double) –> void

set_iha_penalty_mode(self: pyrosetta.rosetta.protocols.mpi_refinement.MultiObjective, value: str) → None¶: C++: protocols::mpi_refinement::MultiObjective::set_iha_penalty_mode(std::string) –> void

set_iha_penalty_slope(self: pyrosetta.rosetta.protocols.mpi_refinement.MultiObjective, value: float) → None¶: C++: protocols::mpi_refinement::MultiObjective::set_iha_penalty_slope(double) –> void

set_init_pose(self: pyrosetta.rosetta.protocols.mpi_refinement.MultiObjective, inpose: pyrosetta.rosetta.core.pose.Pose) → None¶: C++: protocols::mpi_refinement::MultiObjective::set_init_pose(class core::pose::Pose) –> void

set_nremain_reset(self: pyrosetta.rosetta.protocols.mpi_refinement.MultiObjective, value: int) → None¶: C++: protocols::mpi_refinement::MultiObjective::set_nremain_reset(unsigned long) –> void

succeed_substitute_info(self: pyrosetta.rosetta.protocols.mpi_refinement.MultiObjective, ss_sub: pyrosetta.rosetta.core.io.silent.SilentStruct, ss_ref: pyrosetta.rosetta.core.io.silent.SilentStruct, reset: bool) → None¶: C++: protocols::mpi_refinement::MultiObjective::succeed_substitute_info(class std::shared_ptr<class core::io::silent::SilentStruct>, class std::shared_ptr<const class core::io::silent::SilentStruct>, const bool) const –> void

update_library_NSGAII(*args, **kwargs)¶

Overloaded function.

update_library_NSGAII(self: pyrosetta.rosetta.protocols.mpi_refinement.MultiObjective, structs: pyrosetta.rosetta.protocols.wum.SilentStructStore, new_structs: pyrosetta.rosetta.protocols.wum.SilentStructStore, nmax: int) -> bool
update_library_NSGAII(self: pyrosetta.rosetta.protocols.mpi_refinement.MultiObjective, structs: pyrosetta.rosetta.protocols.wum.SilentStructStore, new_structs: pyrosetta.rosetta.protocols.wum.SilentStructStore, nmax: int, update_obj_cut: bool) -> bool

C++: protocols::mpi_refinement::MultiObjective::update_library_NSGAII(class protocols::wum::SilentStructStore &, class protocols::wum::SilentStructStore &, const unsigned long, const bool) –> bool

update_library_seeds(*args, **kwargs)¶

Overloaded function.

update_library_seeds(self: pyrosetta.rosetta.protocols.mpi_refinement.MultiObjective, structs: pyrosetta.rosetta.protocols.wum.SilentStructStore, new_structs: pyrosetta.rosetta.protocols.wum.SilentStructStore, dcut: float, seeds: pyrosetta.rosetta.utility.vector1_unsigned_long, prefix_in: str) -> bool
update_library_seeds(self: pyrosetta.rosetta.protocols.mpi_refinement.MultiObjective, structs: pyrosetta.rosetta.protocols.wum.SilentStructStore, new_structs: pyrosetta.rosetta.protocols.wum.SilentStructStore, dcut: float, seeds: pyrosetta.rosetta.utility.vector1_unsigned_long, prefix_in: str, objname: str) -> bool
update_library_seeds(self: pyrosetta.rosetta.protocols.mpi_refinement.MultiObjective, structs: pyrosetta.rosetta.protocols.wum.SilentStructStore, new_structs: pyrosetta.rosetta.protocols.wum.SilentStructStore, dcut: float, seeds: pyrosetta.rosetta.utility.vector1_unsigned_long, prefix_in: str, objname: str, maxreplace: int) -> bool

C++: protocols::mpi_refinement::MultiObjective::update_library_seeds(class protocols::wum::SilentStructStore &, class protocols::wum::SilentStructStore &, const double, const class utility::vector1<unsigned long, class std::allocator<unsigned long> >, const std::string, const std::string, const unsigned long) –> bool

class pyrosetta.rosetta.protocols.mpi_refinement.Scheduler¶

Bases: pybind11_object

add_rerelaxed(self: pyrosetta.rosetta.protocols.mpi_refinement.Scheduler, value: int) → None¶: C++: protocols::mpi_refinement::Scheduler::add_rerelaxed(const unsigned long) –> void

add_torerelax(self: pyrosetta.rosetta.protocols.mpi_refinement.Scheduler, value: int) → None¶: C++: protocols::mpi_refinement::Scheduler::add_torerelax(const unsigned long) –> void

assign(self: pyrosetta.rosetta.protocols.mpi_refinement.Scheduler, : pyrosetta.rosetta.protocols.mpi_refinement.Scheduler) → pyrosetta.rosetta.protocols.mpi_refinement.Scheduler¶: C++: protocols::mpi_refinement::Scheduler::operator=(const class protocols::mpi_refinement::Scheduler &) –> class protocols::mpi_refinement::Scheduler &

clear(self: pyrosetta.rosetta.protocols.mpi_refinement.Scheduler) → None¶: C++: protocols::mpi_refinement::Scheduler::clear() –> void

final_iter(self: pyrosetta.rosetta.protocols.mpi_refinement.Scheduler) → bool¶: C++: protocols::mpi_refinement::Scheduler::final_iter() const –> bool

get_params(*args, **kwargs)¶

Overloaded function.

get_params(self: pyrosetta.rosetta.protocols.mpi_refinement.Scheduler) -> pyrosetta.rosetta.protocols.mpi_refinement.MethodParams

C++: protocols::mpi_refinement::Scheduler::get_params() const –> const struct protocols::mpi_refinement::MethodParams

get_params(self: pyrosetta.rosetta.protocols.mpi_refinement.Scheduler, imethod: int) -> pyrosetta.rosetta.protocols.mpi_refinement.MethodParams

C++: protocols::mpi_refinement::Scheduler::get_params(const unsigned long) const –> const struct protocols::mpi_refinement::MethodParams

is_excluded(self: pyrosetta.rosetta.protocols.mpi_refinement.Scheduler, picked: pyrosetta.rosetta.utility.vector1_std_string, name2: str) → bool¶: C++: protocols::mpi_refinement::Scheduler::is_excluded(class utility::vector1<std::string, class std::allocator<std::string > >, std::string) const –> bool

iter(self: pyrosetta.rosetta.protocols.mpi_refinement.Scheduler) → int¶: C++: protocols::mpi_refinement::Scheduler::iter() const –> unsigned long

methodname(self: pyrosetta.rosetta.protocols.mpi_refinement.Scheduler, value: int) → str¶: C++: protocols::mpi_refinement::Scheduler::methodname(unsigned long) const –> const std::string

methods_picked(self: pyrosetta.rosetta.protocols.mpi_refinement.Scheduler) → pyrosetta.rosetta.utility.vector1_unsigned_long¶: C++: protocols::mpi_refinement::Scheduler::methods_picked() const –> class utility::vector1<unsigned long, class std::allocator<unsigned long> >

n_rerelaxed(self: pyrosetta.rosetta.protocols.mpi_refinement.Scheduler) → int¶: C++: protocols::mpi_refinement::Scheduler::n_rerelaxed() const –> unsigned long

n_to_gen(self: pyrosetta.rosetta.protocols.mpi_refinement.Scheduler) → int¶: C++: protocols::mpi_refinement::Scheduler::n_to_gen() const –> unsigned long

n_to_rerelax(self: pyrosetta.rosetta.protocols.mpi_refinement.Scheduler) → int¶: C++: protocols::mpi_refinement::Scheduler::n_to_rerelax() const –> unsigned long

nparams(self: pyrosetta.rosetta.protocols.mpi_refinement.Scheduler) → int¶: C++: protocols::mpi_refinement::Scheduler::nparams() const –> unsigned long

npick_per_iter(self: pyrosetta.rosetta.protocols.mpi_refinement.Scheduler) → int¶: C++: protocols::mpi_refinement::Scheduler::npick_per_iter() const –> unsigned long

pick_objfunction(self: pyrosetta.rosetta.protocols.mpi_refinement.Scheduler) → str¶: C++: protocols::mpi_refinement::Scheduler::pick_objfunction() –> const std::string

pick_strategy(self: pyrosetta.rosetta.protocols.mpi_refinement.Scheduler) → str¶: C++: protocols::mpi_refinement::Scheduler::pick_strategy() –> const std::string

prepare_enrich_stage(self: pyrosetta.rosetta.protocols.mpi_refinement.Scheduler, decoys: pyrosetta.rosetta.protocols.wum.SilentStructStore, scorename: str) → None¶: C++: protocols::mpi_refinement::Scheduler::prepare_enrich_stage(const class protocols::wum::SilentStructStore &, const std::string &) –> void

prepare_search_stage(self: pyrosetta.rosetta.protocols.mpi_refinement.Scheduler, mpi_rank: int) → None¶: C++: protocols::mpi_refinement::Scheduler::prepare_search_stage(const unsigned long) –> void

proceed(self: pyrosetta.rosetta.protocols.mpi_refinement.Scheduler) → None¶: C++: protocols::mpi_refinement::Scheduler::proceed() –> void

round_expired(self: pyrosetta.rosetta.protocols.mpi_refinement.Scheduler) → bool¶: C++: protocols::mpi_refinement::Scheduler::round_expired() const –> bool

roundtype(self: pyrosetta.rosetta.protocols.mpi_refinement.Scheduler) → str¶: C++: protocols::mpi_refinement::Scheduler::roundtype() const –> std::string

set_random(self: pyrosetta.rosetta.protocols.mpi_refinement.Scheduler, value: bool) → None¶: C++: protocols::mpi_refinement::Scheduler::set_random(const bool) –> void

class pyrosetta.rosetta.protocols.mpi_refinement.Serial_Refine¶

Bases: pybind11_object

apply(self: pyrosetta.rosetta.protocols.mpi_refinement.Serial_Refine, pose: pyrosetta.rosetta.core.pose.Pose, fixres: pyrosetta.rosetta.utility.vector1_unsigned_long) → float¶: C++: protocols::mpi_refinement::Serial_Refine::apply(class core::pose::Pose &, class utility::vector1<unsigned long, class std::allocator<unsigned long> >) –> double

assign(self: pyrosetta.rosetta.protocols.mpi_refinement.Serial_Refine, : pyrosetta.rosetta.protocols.mpi_refinement.Serial_Refine) → pyrosetta.rosetta.protocols.mpi_refinement.Serial_Refine¶: C++: protocols::mpi_refinement::Serial_Refine::operator=(const class protocols::mpi_refinement::Serial_Refine &) –> class protocols::mpi_refinement::Serial_Refine &

init(self: pyrosetta.rosetta.protocols.mpi_refinement.Serial_Refine) → None¶: C++: protocols::mpi_refinement::Serial_Refine::init() –> void

set_defaults(self: pyrosetta.rosetta.protocols.mpi_refinement.Serial_Refine) → None¶: C++: protocols::mpi_refinement::Serial_Refine::set_defaults() –> void

class pyrosetta.rosetta.protocols.mpi_refinement.StructAvrgMover¶

Bases: Mover

apply(self: pyrosetta.rosetta.protocols.mpi_refinement.StructAvrgMover, ref_pose: pyrosetta.rosetta.core.pose.Pose) → None¶: C++: protocols::mpi_refinement::StructAvrgMover::apply(class core::pose::Pose &) –> void

assign(self: pyrosetta.rosetta.protocols.mpi_refinement.StructAvrgMover, : pyrosetta.rosetta.protocols.mpi_refinement.StructAvrgMover) → pyrosetta.rosetta.protocols.mpi_refinement.StructAvrgMover¶: C++: protocols::mpi_refinement::StructAvrgMover::operator=(const class protocols::mpi_refinement::StructAvrgMover &) –> class protocols::mpi_refinement::StructAvrgMover &

clear_info(self: pyrosetta.rosetta.protocols.moves.Mover) → None¶

Strings container can be used to return miscellaneous info (as std::string) from a mover, such as notes about the results of apply(). The job distributor (Apr 09 vintage) will check this function to see if your protocol wants to add string info to the Job that ran this mover. One way this can be useful is that later, a JobOutputter may include/append this info to an output file.

clear_info is called by jd2 before calling apply

C++: protocols::moves::Mover::clear_info() –> void

clone(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.Mover¶

Return a clone of the Mover object.

C++: protocols::moves::Mover::clone() const –> class std::shared_ptr<class protocols::moves::Mover>

create(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.Mover¶: C++: protocols::moves::Mover::create() –> class std::shared_ptr<class protocols::moves::Mover>

fresh_instance(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.Mover¶

Generates a new Mover object freshly created with the default ctor.

C++: protocols::moves::Mover::fresh_instance() const –> class std::shared_ptr<class protocols::moves::Mover>

get_additional_output(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.core.pose.Pose¶

fpd

Mechanism by which a mover may return multiple output poses from a single input pose.

Supported in JD2. Will attempt to grab additional poses until a nullptr is returned.

C++: protocols::moves::Mover::get_additional_output() –> class std::shared_ptr<class core::pose::Pose>

get_current_job(self: pyrosetta.rosetta.protocols.moves.Mover) → protocols::jobdist::BasicJob¶: C++: protocols::moves::Mover::get_current_job() const –> class std::shared_ptr<const class protocols::jobdist::BasicJob>

get_current_tag(self: pyrosetta.rosetta.protocols.moves.Mover) → str¶

A tag is a unique identifier used to identify structures produced: by this Mover. get_current_tag() returns the tag, and set_current_tag( std::string tag ) sets the tag. This functionality is not intended for use with the 2008 job distributor.

C++: protocols::moves::Mover::get_current_tag() const –> std::string

get_input_pose(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.core.pose.Pose¶: C++: protocols::moves::Mover::get_input_pose() const –> class std::shared_ptr<const class core::pose::Pose>

get_last_move_status(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.MoverStatus¶

returns status after an apply(). The job distributor (august 08 vintage) will check this function to see if your protocol wants to filter its results - if your protocol wants to say “that run was no good, skip it” then use the protected last_move_status(MoverStatus) to change the value that this function will return.

C++: protocols::moves::Mover::get_last_move_status() const –> enum protocols::moves::MoverStatus

get_name(self: pyrosetta.rosetta.protocols.mpi_refinement.StructAvrgMover) → str¶: C++: protocols::mpi_refinement::StructAvrgMover::get_name() const –> std::string

get_native_pose(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.core.pose.Pose¶: C++: protocols::moves::Mover::get_native_pose() const –> class std::shared_ptr<const class core::pose::Pose>

get_self_ptr(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.Mover¶: C++: protocols::moves::Mover::get_self_ptr() –> class std::shared_ptr<class protocols::moves::Mover>

get_self_weak_ptr(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.std.weak_ptr_protocols_moves_Mover_t¶: C++: protocols::moves::Mover::get_self_weak_ptr() –> class std::weak_ptr<class protocols::moves::Mover>

get_type(self: pyrosetta.rosetta.protocols.moves.Mover) → str¶: C++: protocols::moves::Mover::get_type() const –> std::string

info(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.std.list_std_string_t¶

non-const accessor

C++: protocols::moves::Mover::info() –> class std::list<std::string, class std::allocator<std::string > > &

last_proposal_density_ratio(self: pyrosetta.rosetta.protocols.moves.Mover) → float¶: C++: protocols::moves::Mover::last_proposal_density_ratio() –> double

static name() → str¶: C++: protocols::moves::Mover::name() –> std::string

parse_my_tag(self: pyrosetta.rosetta.protocols.moves.Mover, tag: pyrosetta.rosetta.utility.tag.Tag, data: pyrosetta.rosetta.basic.datacache.DataMap) → None¶

Called by MoverFactory when constructing new Movers. Takes care of the specific mover’s parsing.

C++: protocols::moves::Mover::parse_my_tag(class std::shared_ptr<const class utility::tag::Tag>, class basic::datacache::DataMap &) –> void

provide_citation_info(self: pyrosetta.rosetta.protocols.moves.Mover, : pyrosetta.rosetta.basic.citation_manager.CitationCollectionList) → None¶

Provide citations to the passed CitationCollectionList

Subclasses should add the info for themselves and any other classes they use.

The default implementation of this function does nothing. It may be overriden by movers wishing to provide citation information.

C++: protocols::moves::Mover::provide_citation_info(class basic::citation_manager::CitationCollectionList &) const –> void

static register_options() → None¶

Overload this static method if you access options within the mover.

These options will end up in -help of your application if users of this mover call register_options. Do this recursively! If you use movers within your mover, call their register_options in your register_options() method.

C++: protocols::moves::Mover::register_options() –> void

reinitialize_for_each_job(self: pyrosetta.rosetta.protocols.moves.Mover) → bool¶

Inform the Job Distributor (August ‘08 vintage) whether this object needs to be freshly regenerated on: each use.

C++: protocols::moves::Mover::reinitialize_for_each_job() const –> bool

reinitialize_for_new_input(self: pyrosetta.rosetta.protocols.moves.Mover) → bool¶

Inform the Job Distributor (August ‘08 vintage) whether this object needs to be regenerated when the input: pose is about to change, (for example, if the Mover has special code on the first apply() that is only valid for that one input pose).

C++: protocols::moves::Mover::reinitialize_for_new_input() const –> bool

report_dev(self: pyrosetta.rosetta.protocols.mpi_refinement.StructAvrgMover, ref_pose: pyrosetta.rosetta.core.pose.Pose) → None¶: C++: protocols::mpi_refinement::StructAvrgMover::report_dev(const class core::pose::Pose &) const –> void

reset_status(self: pyrosetta.rosetta.protocols.moves.Mover) → None¶

resets status to SUCCESS, meant to be used before an apply(). The job distributor (august 08 vintage) uses this to ensure non-accumulation of status across apply()s.

C++: protocols::moves::Mover::reset_status() –> void

set_current_job(self: pyrosetta.rosetta.protocols.moves.Mover, job: protocols::jobdist::BasicJob) → None¶: C++: protocols::moves::Mover::set_current_job(class std::shared_ptr<const class protocols::jobdist::BasicJob>) –> void

set_current_tag(self: pyrosetta.rosetta.protocols.moves.Mover, new_tag: str) → None¶: C++: protocols::moves::Mover::set_current_tag(const std::string &) –> void

set_default(self: pyrosetta.rosetta.protocols.mpi_refinement.StructAvrgMover) → None¶: C++: protocols::mpi_refinement::StructAvrgMover::set_default() –> void

set_input_pose(self: pyrosetta.rosetta.protocols.moves.Mover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶

setter for poses contained for rms

C++: protocols::moves::Mover::set_input_pose(class std::shared_ptr<const class core::pose::Pose>) –> void

set_mulfactor(self: pyrosetta.rosetta.protocols.mpi_refinement.StructAvrgMover, mulfactor: float) → None¶: C++: protocols::mpi_refinement::StructAvrgMover::set_mulfactor(const double) –> void

set_native_pose(self: pyrosetta.rosetta.protocols.moves.Mover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶

setter for native poses contained for rms —- we should get rid of this method? it is widely used, but a bit unsafe

C++: protocols::moves::Mover::set_native_pose(class std::shared_ptr<const class core::pose::Pose>) –> void

set_type(self: pyrosetta.rosetta.protocols.moves.Mover, setting: str) → None¶

Set the ‘type’ string

C++: protocols::moves::Mover::set_type(const std::string &) –> void

show(*args, **kwargs)¶

Overloaded function.

show(self: pyrosetta.rosetta.protocols.moves.Mover) -> None
show(self: pyrosetta.rosetta.protocols.moves.Mover, output: pyrosetta.rosetta.std.ostream) -> None

Outputs details about the Mover, including current settings.

C++: protocols::moves::Mover::show(std::ostream &) const –> void

test_move(self: pyrosetta.rosetta.protocols.moves.Mover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶

: Unit test support function. Apply one move to a given pose.: Allows extra test specific functions to be called before applying

C++: protocols::moves::Mover::test_move(class core::pose::Pose &) –> void

type(*args, **kwargs)¶

Overloaded function.

type(self: pyrosetta.rosetta.protocols.moves.Mover, type_in: str) -> None

Set the ‘type’ string

C++: protocols::moves::Mover::type(const std::string &) –> void

type(self: pyrosetta.rosetta.protocols.moves.Mover) -> str

Get the set ‘type’ string

C++: protocols::moves::Mover::type() const –> const std::string &

class pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_CombinePose¶

Bases: WorkUnit_Sampler

///// WorkUnit Combine

class WU_Header¶

Bases: pybind11_object

this structure can contain any non-dynamicly allocated data. Any simple data types can be used here, ints, real, floats, char, etc..

assign(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase.WU_Header, : pyrosetta.rosetta.protocols.wum.WorkUnitBase.WU_Header) → pyrosetta.rosetta.protocols.wum.WorkUnitBase.WU_Header¶: C++: protocols::wum::WorkUnitBase::WU_Header::operator=(const struct protocols::wum::WorkUnitBase::WU_Header &) –> struct protocols::wum::WorkUnitBase::WU_Header &

property extra_data_1_¶

property extra_data_2_¶

property extra_data_3_¶

property extra_data_4_¶

property id_¶

property unixtime_creation_¶

property unixtime_start_¶

property unixtime_stop_¶

add_blacklist(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase, mpi_rank: int) → None¶

Adds to the blacklist

C++: protocols::wum::WorkUnitBase::add_blacklist(int) –> void

assign(self: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_CombinePose, : pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_CombinePose) → pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_CombinePose¶: C++: protocols::mpi_refinement::WorkUnit_CombinePose::operator=(const class protocols::mpi_refinement::WorkUnit_CombinePose &) –> class protocols::mpi_refinement::WorkUnit_CombinePose &

clear_blacklist(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → None¶

Erases the blacklist

C++: protocols::wum::WorkUnitBase::clear_blacklist() –> void

clear_serial_data(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → None¶

Remove all data, make sure that the memory is also cleared, hence the cals to reserve

C++: protocols::wum::WorkUnitBase::clear_serial_data() –> void

clone(self: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_CombinePose) → pyrosetta.rosetta.protocols.wum.WorkUnitBase¶: C++: protocols::mpi_refinement::WorkUnit_CombinePose::clone() const –> class std::shared_ptr<class protocols::wum::WorkUnitBase>

decoys(self: pyrosetta.rosetta.protocols.wum.WorkUnit_SilentStructStore) → pyrosetta.rosetta.protocols.wum.SilentStructStore¶

Accessor for decoy store

C++: protocols::wum::WorkUnit_SilentStructStore::decoys() –> class protocols::wum::SilentStructStore &

deserialize(self: pyrosetta.rosetta.protocols.wum.WorkUnit_SilentStructStore) → None¶

Make ready for working

C++: protocols::wum::WorkUnit_SilentStructStore::deserialize() –> void

extra_data_1(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → int¶

Accessor to the extra_data_1 and 3 field of the header

C++: protocols::wum::WorkUnitBase::extra_data_1() –> unsigned long

extra_data_2(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → int¶: C++: protocols::wum::WorkUnitBase::extra_data_2() –> unsigned long

extra_data_3(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → int¶: C++: protocols::wum::WorkUnitBase::extra_data_3() –> unsigned long

get_options(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → str¶

Optain the options string from the header

C++: protocols::wum::WorkUnitBase::get_options() const –> std::string

get_run_time(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → int¶

Returns the differrence between unix start and stop times

C++: protocols::wum::WorkUnitBase::get_run_time() –> unsigned long

get_wu_type(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → str¶

Accessor to header structure, return the WorkUnit Type

C++: protocols::wum::WorkUnitBase::get_wu_type() const –> std::string

id(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → int¶

Accessor to the ID of the WorkUnit

C++: protocols::wum::WorkUnitBase::id() –> unsigned long

in_blacklist(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase, mpi_rank: int) → bool¶

Finds in blacklist, true if is, false if it isn’t

C++: protocols::wum::WorkUnitBase::in_blacklist(int) –> bool

init_from_cmd(self: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_CombinePose, : int) → None¶: C++: protocols::mpi_refinement::WorkUnit_CombinePose::init_from_cmd(const unsigned long) –> void

last_received_from(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → int¶: C++: protocols::wum::WorkUnitBase::last_received_from() –> unsigned long

mem_footprint(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → int¶

Return the memory usage of this WorkUnit

C++: protocols::wum::WorkUnitBase::mem_footprint() const –> unsigned long

print(*args, **kwargs)¶

Overloaded function.

print(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase, out: pyrosetta.rosetta.std.ostream) -> None
print(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase, out: pyrosetta.rosetta.std.ostream, verbose: bool) -> None

Print header information to the stream, single line by default or verbose if verbose is set to true

C++: protocols::wum::WorkUnitBase::print(std::ostream &, bool) const –> void

run(self: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_CombinePose) → None¶: C++: protocols::mpi_refinement::WorkUnit_CombinePose::run() –> void

serialize(self: pyrosetta.rosetta.protocols.wum.WorkUnit_SilentStructStore) → None¶

write decoys into serial data store overwritinge whatever was there before. It basically syncs the silent struct store with the derial data

C++: protocols::wum::WorkUnit_SilentStructStore::serialize() –> void

set_extra_data_1(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase, value: int) → None¶: C++: protocols::wum::WorkUnitBase::set_extra_data_1(const unsigned long) –> void

set_extra_data_2(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase, value: int) → None¶: C++: protocols::wum::WorkUnitBase::set_extra_data_2(const unsigned long) –> void

set_extra_data_3(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase, value: int) → None¶: C++: protocols::wum::WorkUnitBase::set_extra_data_3(const unsigned long) –> void

set_maxfrac(self: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_CombinePose, setting: float) → None¶: C++: protocols::mpi_refinement::WorkUnit_CombinePose::set_maxfrac(const double) –> void

set_minfrac(self: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_CombinePose, setting: float) → None¶: C++: protocols::mpi_refinement::WorkUnit_CombinePose::set_minfrac(const double) –> void

set_options(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase, text: str) → None¶

Accesor to the “options” text field

C++: protocols::wum::WorkUnitBase::set_options(const std::string &) –> void

set_wu_type(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase, text: str) → None¶

Accessor to header structure, sets the WorkUnit Type

C++: protocols::wum::WorkUnitBase::set_wu_type(const std::string &) –> void

class pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_FragInsert¶

Bases: WorkUnit_Sampler

///// WorkUnit FragInsert

class WU_Header¶

Bases: pybind11_object

this structure can contain any non-dynamicly allocated data. Any simple data types can be used here, ints, real, floats, char, etc..

assign(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase.WU_Header, : pyrosetta.rosetta.protocols.wum.WorkUnitBase.WU_Header) → pyrosetta.rosetta.protocols.wum.WorkUnitBase.WU_Header¶: C++: protocols::wum::WorkUnitBase::WU_Header::operator=(const struct protocols::wum::WorkUnitBase::WU_Header &) –> struct protocols::wum::WorkUnitBase::WU_Header &

property extra_data_1_¶

property extra_data_2_¶

property extra_data_3_¶

property extra_data_4_¶

property id_¶

property unixtime_creation_¶

property unixtime_start_¶

property unixtime_stop_¶

add_blacklist(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase, mpi_rank: int) → None¶

Adds to the blacklist

C++: protocols::wum::WorkUnitBase::add_blacklist(int) –> void

assign(self: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_FragInsert, : pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_FragInsert) → pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_FragInsert¶: C++: protocols::mpi_refinement::WorkUnit_FragInsert::operator=(const class protocols::mpi_refinement::WorkUnit_FragInsert &) –> class protocols::mpi_refinement::WorkUnit_FragInsert &

clear_blacklist(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → None¶

Erases the blacklist

C++: protocols::wum::WorkUnitBase::clear_blacklist() –> void

clear_serial_data(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → None¶

Remove all data, make sure that the memory is also cleared, hence the cals to reserve

C++: protocols::wum::WorkUnitBase::clear_serial_data() –> void

clone(self: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_FragInsert) → pyrosetta.rosetta.protocols.wum.WorkUnitBase¶: C++: protocols::mpi_refinement::WorkUnit_FragInsert::clone() const –> class std::shared_ptr<class protocols::wum::WorkUnitBase>

decoys(self: pyrosetta.rosetta.protocols.wum.WorkUnit_SilentStructStore) → pyrosetta.rosetta.protocols.wum.SilentStructStore¶

Accessor for decoy store

C++: protocols::wum::WorkUnit_SilentStructStore::decoys() –> class protocols::wum::SilentStructStore &

deserialize(self: pyrosetta.rosetta.protocols.wum.WorkUnit_SilentStructStore) → None¶

Make ready for working

C++: protocols::wum::WorkUnit_SilentStructStore::deserialize() –> void

extra_data_1(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → int¶

Accessor to the extra_data_1 and 3 field of the header

C++: protocols::wum::WorkUnitBase::extra_data_1() –> unsigned long

extra_data_2(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → int¶: C++: protocols::wum::WorkUnitBase::extra_data_2() –> unsigned long

extra_data_3(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → int¶: C++: protocols::wum::WorkUnitBase::extra_data_3() –> unsigned long

get_options(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → str¶

Optain the options string from the header

C++: protocols::wum::WorkUnitBase::get_options() const –> std::string

get_run_time(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → int¶

Returns the differrence between unix start and stop times

C++: protocols::wum::WorkUnitBase::get_run_time() –> unsigned long

get_wu_type(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → str¶

Accessor to header structure, return the WorkUnit Type

C++: protocols::wum::WorkUnitBase::get_wu_type() const –> std::string

id(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → int¶

Accessor to the ID of the WorkUnit

C++: protocols::wum::WorkUnitBase::id() –> unsigned long

in_blacklist(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase, mpi_rank: int) → bool¶

Finds in blacklist, true if is, false if it isn’t

C++: protocols::wum::WorkUnitBase::in_blacklist(int) –> bool

init_from_cmd(self: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_Sampler, mpi_rank: int) → None¶: C++: protocols::mpi_refinement::WorkUnit_Sampler::init_from_cmd(const unsigned long) –> void

last_received_from(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → int¶: C++: protocols::wum::WorkUnitBase::last_received_from() –> unsigned long

mem_footprint(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → int¶

Return the memory usage of this WorkUnit

C++: protocols::wum::WorkUnitBase::mem_footprint() const –> unsigned long

print(*args, **kwargs)¶

Overloaded function.

print(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase, out: pyrosetta.rosetta.std.ostream) -> None
print(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase, out: pyrosetta.rosetta.std.ostream, verbose: bool) -> None

Print header information to the stream, single line by default or verbose if verbose is set to true

C++: protocols::wum::WorkUnitBase::print(std::ostream &, bool) const –> void

run(self: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_FragInsert) → None¶: C++: protocols::mpi_refinement::WorkUnit_FragInsert::run() –> void

serialize(self: pyrosetta.rosetta.protocols.wum.WorkUnit_SilentStructStore) → None¶

write decoys into serial data store overwritinge whatever was there before. It basically syncs the silent struct store with the derial data

C++: protocols::wum::WorkUnit_SilentStructStore::serialize() –> void

set_extra_data_1(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase, value: int) → None¶: C++: protocols::wum::WorkUnitBase::set_extra_data_1(const unsigned long) –> void

set_extra_data_2(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase, value: int) → None¶: C++: protocols::wum::WorkUnitBase::set_extra_data_2(const unsigned long) –> void

set_extra_data_3(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase, value: int) → None¶: C++: protocols::wum::WorkUnitBase::set_extra_data_3(const unsigned long) –> void

set_nsteps(self: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_FragInsert, setting: int) → None¶: C++: protocols::mpi_refinement::WorkUnit_FragInsert::set_nsteps(const unsigned long) –> void

set_options(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase, text: str) → None¶

Accesor to the “options” text field

C++: protocols::wum::WorkUnitBase::set_options(const std::string &) –> void

set_res1(self: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_FragInsert, setting: int) → None¶: C++: protocols::mpi_refinement::WorkUnit_FragInsert::set_res1(const unsigned long) –> void

set_res2(self: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_FragInsert, setting: int) → None¶: C++: protocols::mpi_refinement::WorkUnit_FragInsert::set_res2(const unsigned long) –> void

set_scoretype(self: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_FragInsert, setting: int) → None¶: C++: protocols::mpi_refinement::WorkUnit_FragInsert::set_scoretype(const unsigned long) –> void

set_wu_type(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase, text: str) → None¶

Accessor to header structure, sets the WorkUnit Type

C++: protocols::wum::WorkUnitBase::set_wu_type(const std::string &) –> void

class pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_KicCloser¶

Bases: WorkUnit_Sampler

///// WorkUnit KicCloser

class WU_Header¶

Bases: pybind11_object

this structure can contain any non-dynamicly allocated data. Any simple data types can be used here, ints, real, floats, char, etc..

assign(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase.WU_Header, : pyrosetta.rosetta.protocols.wum.WorkUnitBase.WU_Header) → pyrosetta.rosetta.protocols.wum.WorkUnitBase.WU_Header¶: C++: protocols::wum::WorkUnitBase::WU_Header::operator=(const struct protocols::wum::WorkUnitBase::WU_Header &) –> struct protocols::wum::WorkUnitBase::WU_Header &

property extra_data_1_¶

property extra_data_2_¶

property extra_data_3_¶

property extra_data_4_¶

property id_¶

property unixtime_creation_¶

property unixtime_start_¶

property unixtime_stop_¶

add_blacklist(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase, mpi_rank: int) → None¶

Adds to the blacklist

C++: protocols::wum::WorkUnitBase::add_blacklist(int) –> void

assign(self: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_KicCloser, : pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_KicCloser) → pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_KicCloser¶: C++: protocols::mpi_refinement::WorkUnit_KicCloser::operator=(const class protocols::mpi_refinement::WorkUnit_KicCloser &) –> class protocols::mpi_refinement::WorkUnit_KicCloser &

clear_blacklist(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → None¶

Erases the blacklist

C++: protocols::wum::WorkUnitBase::clear_blacklist() –> void

clear_serial_data(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → None¶

Remove all data, make sure that the memory is also cleared, hence the cals to reserve

C++: protocols::wum::WorkUnitBase::clear_serial_data() –> void

clone(self: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_KicCloser) → pyrosetta.rosetta.protocols.wum.WorkUnitBase¶: C++: protocols::mpi_refinement::WorkUnit_KicCloser::clone() const –> class std::shared_ptr<class protocols::wum::WorkUnitBase>

decoys(self: pyrosetta.rosetta.protocols.wum.WorkUnit_SilentStructStore) → pyrosetta.rosetta.protocols.wum.SilentStructStore¶

Accessor for decoy store

C++: protocols::wum::WorkUnit_SilentStructStore::decoys() –> class protocols::wum::SilentStructStore &

deserialize(self: pyrosetta.rosetta.protocols.wum.WorkUnit_SilentStructStore) → None¶

Make ready for working

C++: protocols::wum::WorkUnit_SilentStructStore::deserialize() –> void

extra_data_1(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → int¶

Accessor to the extra_data_1 and 3 field of the header

C++: protocols::wum::WorkUnitBase::extra_data_1() –> unsigned long

extra_data_2(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → int¶: C++: protocols::wum::WorkUnitBase::extra_data_2() –> unsigned long

extra_data_3(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → int¶: C++: protocols::wum::WorkUnitBase::extra_data_3() –> unsigned long

get_options(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → str¶

Optain the options string from the header

C++: protocols::wum::WorkUnitBase::get_options() const –> std::string

get_run_time(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → int¶

Returns the differrence between unix start and stop times

C++: protocols::wum::WorkUnitBase::get_run_time() –> unsigned long

get_wu_type(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → str¶

Accessor to header structure, return the WorkUnit Type

C++: protocols::wum::WorkUnitBase::get_wu_type() const –> std::string

id(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → int¶

Accessor to the ID of the WorkUnit

C++: protocols::wum::WorkUnitBase::id() –> unsigned long

in_blacklist(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase, mpi_rank: int) → bool¶

Finds in blacklist, true if is, false if it isn’t

C++: protocols::wum::WorkUnitBase::in_blacklist(int) –> bool

init_from_cmd(self: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_Sampler, mpi_rank: int) → None¶: C++: protocols::mpi_refinement::WorkUnit_Sampler::init_from_cmd(const unsigned long) –> void

last_received_from(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → int¶: C++: protocols::wum::WorkUnitBase::last_received_from() –> unsigned long

mem_footprint(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → int¶

Return the memory usage of this WorkUnit

C++: protocols::wum::WorkUnitBase::mem_footprint() const –> unsigned long

print(*args, **kwargs)¶

Overloaded function.

print(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase, out: pyrosetta.rosetta.std.ostream) -> None
print(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase, out: pyrosetta.rosetta.std.ostream, verbose: bool) -> None

Print header information to the stream, single line by default or verbose if verbose is set to true

C++: protocols::wum::WorkUnitBase::print(std::ostream &, bool) const –> void

run(self: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_KicCloser) → None¶: C++: protocols::mpi_refinement::WorkUnit_KicCloser::run() –> void

serialize(self: pyrosetta.rosetta.protocols.wum.WorkUnit_SilentStructStore) → None¶

write decoys into serial data store overwritinge whatever was there before. It basically syncs the silent struct store with the derial data

C++: protocols::wum::WorkUnit_SilentStructStore::serialize() –> void

set_extra_data_1(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase, value: int) → None¶: C++: protocols::wum::WorkUnitBase::set_extra_data_1(const unsigned long) –> void

set_extra_data_2(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase, value: int) → None¶: C++: protocols::wum::WorkUnitBase::set_extra_data_2(const unsigned long) –> void

set_extra_data_3(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase, value: int) → None¶: C++: protocols::wum::WorkUnitBase::set_extra_data_3(const unsigned long) –> void

set_nsteps(self: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_KicCloser, setting: int) → None¶: C++: protocols::mpi_refinement::WorkUnit_KicCloser::set_nsteps(const unsigned long) –> void

set_options(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase, text: str) → None¶

Accesor to the “options” text field

C++: protocols::wum::WorkUnitBase::set_options(const std::string &) –> void

set_res1(self: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_KicCloser, setting: int) → None¶: C++: protocols::mpi_refinement::WorkUnit_KicCloser::set_res1(const unsigned long) –> void

set_res2(self: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_KicCloser, setting: int) → None¶: C++: protocols::mpi_refinement::WorkUnit_KicCloser::set_res2(const unsigned long) –> void

set_scoretype(self: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_KicCloser, setting: int) → None¶: C++: protocols::mpi_refinement::WorkUnit_KicCloser::set_scoretype(const unsigned long) –> void

set_wu_type(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase, text: str) → None¶

Accessor to header structure, sets the WorkUnit Type

C++: protocols::wum::WorkUnitBase::set_wu_type(const std::string &) –> void

class pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_LoopHash¶

Bases: WorkUnit_Sampler

///// WorkUnit loophash

class WU_Header¶

Bases: pybind11_object

this structure can contain any non-dynamicly allocated data. Any simple data types can be used here, ints, real, floats, char, etc..

assign(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase.WU_Header, : pyrosetta.rosetta.protocols.wum.WorkUnitBase.WU_Header) → pyrosetta.rosetta.protocols.wum.WorkUnitBase.WU_Header¶: C++: protocols::wum::WorkUnitBase::WU_Header::operator=(const struct protocols::wum::WorkUnitBase::WU_Header &) –> struct protocols::wum::WorkUnitBase::WU_Header &

property extra_data_1_¶

property extra_data_2_¶

property extra_data_3_¶

property extra_data_4_¶

property id_¶

property unixtime_creation_¶

property unixtime_start_¶

property unixtime_stop_¶

add_blacklist(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase, mpi_rank: int) → None¶

Adds to the blacklist

C++: protocols::wum::WorkUnitBase::add_blacklist(int) –> void

assign(self: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_LoopHash, : pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_LoopHash) → pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_LoopHash¶: C++: protocols::mpi_refinement::WorkUnit_LoopHash::operator=(const class protocols::mpi_refinement::WorkUnit_LoopHash &) –> class protocols::mpi_refinement::WorkUnit_LoopHash &

clear_blacklist(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → None¶

Erases the blacklist

C++: protocols::wum::WorkUnitBase::clear_blacklist() –> void

clear_serial_data(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → None¶

Remove all data, make sure that the memory is also cleared, hence the cals to reserve

C++: protocols::wum::WorkUnitBase::clear_serial_data() –> void

clone(self: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_LoopHash) → pyrosetta.rosetta.protocols.wum.WorkUnitBase¶: C++: protocols::mpi_refinement::WorkUnit_LoopHash::clone() const –> class std::shared_ptr<class protocols::wum::WorkUnitBase>

decoys(self: pyrosetta.rosetta.protocols.wum.WorkUnit_SilentStructStore) → pyrosetta.rosetta.protocols.wum.SilentStructStore¶

Accessor for decoy store

C++: protocols::wum::WorkUnit_SilentStructStore::decoys() –> class protocols::wum::SilentStructStore &

deserialize(self: pyrosetta.rosetta.protocols.wum.WorkUnit_SilentStructStore) → None¶

Make ready for working

C++: protocols::wum::WorkUnit_SilentStructStore::deserialize() –> void

extra_data_1(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → int¶

Accessor to the extra_data_1 and 3 field of the header

C++: protocols::wum::WorkUnitBase::extra_data_1() –> unsigned long

extra_data_2(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → int¶: C++: protocols::wum::WorkUnitBase::extra_data_2() –> unsigned long

extra_data_3(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → int¶: C++: protocols::wum::WorkUnitBase::extra_data_3() –> unsigned long

get_options(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → str¶

Optain the options string from the header

C++: protocols::wum::WorkUnitBase::get_options() const –> std::string

get_run_time(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → int¶

Returns the differrence between unix start and stop times

C++: protocols::wum::WorkUnitBase::get_run_time() –> unsigned long

get_wu_type(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → str¶

Accessor to header structure, return the WorkUnit Type

C++: protocols::wum::WorkUnitBase::get_wu_type() const –> std::string

id(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → int¶

Accessor to the ID of the WorkUnit

C++: protocols::wum::WorkUnitBase::id() –> unsigned long

in_blacklist(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase, mpi_rank: int) → bool¶

Finds in blacklist, true if is, false if it isn’t

C++: protocols::wum::WorkUnitBase::in_blacklist(int) –> bool

init_from_cmd(self: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_LoopHash, : int) → None¶: C++: protocols::mpi_refinement::WorkUnit_LoopHash::init_from_cmd(const unsigned long) –> void

last_received_from(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → int¶: C++: protocols::wum::WorkUnitBase::last_received_from() –> unsigned long

mem_footprint(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → int¶

Return the memory usage of this WorkUnit

C++: protocols::wum::WorkUnitBase::mem_footprint() const –> unsigned long

print(*args, **kwargs)¶

Overloaded function.

print(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase, out: pyrosetta.rosetta.std.ostream) -> None
print(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase, out: pyrosetta.rosetta.std.ostream, verbose: bool) -> None

Print header information to the stream, single line by default or verbose if verbose is set to true

C++: protocols::wum::WorkUnitBase::print(std::ostream &, bool) const –> void

run(self: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_LoopHash) → None¶: C++: protocols::mpi_refinement::WorkUnit_LoopHash::run() –> void

serialize(self: pyrosetta.rosetta.protocols.wum.WorkUnit_SilentStructStore) → None¶

write decoys into serial data store overwritinge whatever was there before. It basically syncs the silent struct store with the derial data

C++: protocols::wum::WorkUnit_SilentStructStore::serialize() –> void

set_end(self: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_LoopHash, end_ir: int) → None¶: C++: protocols::mpi_refinement::WorkUnit_LoopHash::set_end(unsigned long) –> void

set_extra_data_1(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase, value: int) → None¶: C++: protocols::wum::WorkUnitBase::set_extra_data_1(const unsigned long) –> void

set_extra_data_2(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase, value: int) → None¶: C++: protocols::wum::WorkUnitBase::set_extra_data_2(const unsigned long) –> void

set_extra_data_3(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase, value: int) → None¶: C++: protocols::wum::WorkUnitBase::set_extra_data_3(const unsigned long) –> void

set_global(self: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_LoopHash, is_global: int) → None¶: C++: protocols::mpi_refinement::WorkUnit_LoopHash::set_global(unsigned long) –> void

set_options(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase, text: str) → None¶

Accesor to the “options” text field

C++: protocols::wum::WorkUnitBase::set_options(const std::string &) –> void

set_ssid(self: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_LoopHash, ssid: int) → None¶: C++: protocols::mpi_refinement::WorkUnit_LoopHash::set_ssid(unsigned long) –> void

set_start(self: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_LoopHash, start_ir: int) → None¶: C++: protocols::mpi_refinement::WorkUnit_LoopHash::set_start(unsigned long) –> void

set_wu_type(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase, text: str) → None¶

Accessor to header structure, sets the WorkUnit Type

C++: protocols::wum::WorkUnitBase::set_wu_type(const std::string &) –> void

class pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_MD¶

Bases: WorkUnit_Sampler

///// WorkUnit MD

class WU_Header¶

Bases: pybind11_object

this structure can contain any non-dynamicly allocated data. Any simple data types can be used here, ints, real, floats, char, etc..

assign(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase.WU_Header, : pyrosetta.rosetta.protocols.wum.WorkUnitBase.WU_Header) → pyrosetta.rosetta.protocols.wum.WorkUnitBase.WU_Header¶: C++: protocols::wum::WorkUnitBase::WU_Header::operator=(const struct protocols::wum::WorkUnitBase::WU_Header &) –> struct protocols::wum::WorkUnitBase::WU_Header &

property extra_data_1_¶

property extra_data_2_¶

property extra_data_3_¶

property extra_data_4_¶

property id_¶

property unixtime_creation_¶

property unixtime_start_¶

property unixtime_stop_¶

add_blacklist(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase, mpi_rank: int) → None¶

Adds to the blacklist

C++: protocols::wum::WorkUnitBase::add_blacklist(int) –> void

assign(self: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_MD, : pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_MD) → pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_MD¶: C++: protocols::mpi_refinement::WorkUnit_MD::operator=(const class protocols::mpi_refinement::WorkUnit_MD &) –> class protocols::mpi_refinement::WorkUnit_MD &

clear_blacklist(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → None¶

Erases the blacklist

C++: protocols::wum::WorkUnitBase::clear_blacklist() –> void

clear_serial_data(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → None¶

Remove all data, make sure that the memory is also cleared, hence the cals to reserve

C++: protocols::wum::WorkUnitBase::clear_serial_data() –> void

clone(self: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_MD) → pyrosetta.rosetta.protocols.wum.WorkUnitBase¶: C++: protocols::mpi_refinement::WorkUnit_MD::clone() const –> class std::shared_ptr<class protocols::wum::WorkUnitBase>

decoys(self: pyrosetta.rosetta.protocols.wum.WorkUnit_SilentStructStore) → pyrosetta.rosetta.protocols.wum.SilentStructStore¶

Accessor for decoy store

C++: protocols::wum::WorkUnit_SilentStructStore::decoys() –> class protocols::wum::SilentStructStore &

deserialize(self: pyrosetta.rosetta.protocols.wum.WorkUnit_SilentStructStore) → None¶

Make ready for working

C++: protocols::wum::WorkUnit_SilentStructStore::deserialize() –> void

extra_data_1(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → int¶

Accessor to the extra_data_1 and 3 field of the header

C++: protocols::wum::WorkUnitBase::extra_data_1() –> unsigned long

extra_data_2(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → int¶: C++: protocols::wum::WorkUnitBase::extra_data_2() –> unsigned long

extra_data_3(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → int¶: C++: protocols::wum::WorkUnitBase::extra_data_3() –> unsigned long

get_options(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → str¶

Optain the options string from the header

C++: protocols::wum::WorkUnitBase::get_options() const –> std::string

get_run_time(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → int¶

Returns the differrence between unix start and stop times

C++: protocols::wum::WorkUnitBase::get_run_time() –> unsigned long

get_wu_type(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → str¶

Accessor to header structure, return the WorkUnit Type

C++: protocols::wum::WorkUnitBase::get_wu_type() const –> std::string

id(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → int¶

Accessor to the ID of the WorkUnit

C++: protocols::wum::WorkUnitBase::id() –> unsigned long

in_blacklist(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase, mpi_rank: int) → bool¶

Finds in blacklist, true if is, false if it isn’t

C++: protocols::wum::WorkUnitBase::in_blacklist(int) –> bool

init_from_cmd(self: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_Sampler, mpi_rank: int) → None¶: C++: protocols::mpi_refinement::WorkUnit_Sampler::init_from_cmd(const unsigned long) –> void

last_received_from(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → int¶: C++: protocols::wum::WorkUnitBase::last_received_from() –> unsigned long

mem_footprint(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → int¶

Return the memory usage of this WorkUnit

C++: protocols::wum::WorkUnitBase::mem_footprint() const –> unsigned long

print(*args, **kwargs)¶

Overloaded function.

print(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase, out: pyrosetta.rosetta.std.ostream) -> None
print(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase, out: pyrosetta.rosetta.std.ostream, verbose: bool) -> None

Print header information to the stream, single line by default or verbose if verbose is set to true

C++: protocols::wum::WorkUnitBase::print(std::ostream &, bool) const –> void

run(self: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_MD) → None¶: C++: protocols::mpi_refinement::WorkUnit_MD::run() –> void

serialize(self: pyrosetta.rosetta.protocols.wum.WorkUnit_SilentStructStore) → None¶

write decoys into serial data store overwritinge whatever was there before. It basically syncs the silent struct store with the derial data

C++: protocols::wum::WorkUnit_SilentStructStore::serialize() –> void

set_cstweight(self: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_MD, setting: float) → None¶: C++: protocols::mpi_refinement::WorkUnit_MD::set_cstweight(const double) –> void

set_extra_data_1(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase, value: int) → None¶: C++: protocols::wum::WorkUnitBase::set_extra_data_1(const unsigned long) –> void

set_extra_data_2(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase, value: int) → None¶: C++: protocols::wum::WorkUnitBase::set_extra_data_2(const unsigned long) –> void

set_extra_data_3(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase, value: int) → None¶: C++: protocols::wum::WorkUnitBase::set_extra_data_3(const unsigned long) –> void

set_nstruct(self: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_MD, setting: int) → None¶: C++: protocols::mpi_refinement::WorkUnit_MD::set_nstruct(const unsigned long) –> void

set_options(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase, text: str) → None¶

Accesor to the “options” text field

C++: protocols::wum::WorkUnitBase::set_options(const std::string &) –> void

set_relaxtype(self: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_MD, setting: int) → None¶: C++: protocols::mpi_refinement::WorkUnit_MD::set_relaxtype(const unsigned long) –> void

set_scoretype(self: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_MD, setting: int) → None¶: C++: protocols::mpi_refinement::WorkUnit_MD::set_scoretype(const unsigned long) –> void

set_wu_type(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase, text: str) → None¶

Accessor to header structure, sets the WorkUnit Type

C++: protocols::wum::WorkUnitBase::set_wu_type(const std::string &) –> void

class pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_NormalMode¶

Bases: WorkUnit_Sampler

///// WorkUnit NormalMode

class WU_Header¶

Bases: pybind11_object

this structure can contain any non-dynamicly allocated data. Any simple data types can be used here, ints, real, floats, char, etc..

assign(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase.WU_Header, : pyrosetta.rosetta.protocols.wum.WorkUnitBase.WU_Header) → pyrosetta.rosetta.protocols.wum.WorkUnitBase.WU_Header¶: C++: protocols::wum::WorkUnitBase::WU_Header::operator=(const struct protocols::wum::WorkUnitBase::WU_Header &) –> struct protocols::wum::WorkUnitBase::WU_Header &

property extra_data_1_¶

property extra_data_2_¶

property extra_data_3_¶

property extra_data_4_¶

property id_¶

property unixtime_creation_¶

property unixtime_start_¶

property unixtime_stop_¶

add_blacklist(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase, mpi_rank: int) → None¶

Adds to the blacklist

C++: protocols::wum::WorkUnitBase::add_blacklist(int) –> void

assign(self: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_NormalMode, : pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_NormalMode) → pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_NormalMode¶: C++: protocols::mpi_refinement::WorkUnit_NormalMode::operator=(const class protocols::mpi_refinement::WorkUnit_NormalMode &) –> class protocols::mpi_refinement::WorkUnit_NormalMode &

clear_blacklist(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → None¶

Erases the blacklist

C++: protocols::wum::WorkUnitBase::clear_blacklist() –> void

clear_serial_data(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → None¶

Remove all data, make sure that the memory is also cleared, hence the cals to reserve

C++: protocols::wum::WorkUnitBase::clear_serial_data() –> void

clone(self: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_NormalMode) → pyrosetta.rosetta.protocols.wum.WorkUnitBase¶: C++: protocols::mpi_refinement::WorkUnit_NormalMode::clone() const –> class std::shared_ptr<class protocols::wum::WorkUnitBase>

decoys(self: pyrosetta.rosetta.protocols.wum.WorkUnit_SilentStructStore) → pyrosetta.rosetta.protocols.wum.SilentStructStore¶

Accessor for decoy store

C++: protocols::wum::WorkUnit_SilentStructStore::decoys() –> class protocols::wum::SilentStructStore &

deserialize(self: pyrosetta.rosetta.protocols.wum.WorkUnit_SilentStructStore) → None¶

Make ready for working

C++: protocols::wum::WorkUnit_SilentStructStore::deserialize() –> void

extra_data_1(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → int¶

Accessor to the extra_data_1 and 3 field of the header

C++: protocols::wum::WorkUnitBase::extra_data_1() –> unsigned long

extra_data_2(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → int¶: C++: protocols::wum::WorkUnitBase::extra_data_2() –> unsigned long

extra_data_3(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → int¶: C++: protocols::wum::WorkUnitBase::extra_data_3() –> unsigned long

get_options(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → str¶

Optain the options string from the header

C++: protocols::wum::WorkUnitBase::get_options() const –> std::string

get_run_time(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → int¶

Returns the differrence between unix start and stop times

C++: protocols::wum::WorkUnitBase::get_run_time() –> unsigned long

get_wu_type(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → str¶

Accessor to header structure, return the WorkUnit Type

C++: protocols::wum::WorkUnitBase::get_wu_type() const –> std::string

id(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → int¶

Accessor to the ID of the WorkUnit

C++: protocols::wum::WorkUnitBase::id() –> unsigned long

in_blacklist(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase, mpi_rank: int) → bool¶

Finds in blacklist, true if is, false if it isn’t

C++: protocols::wum::WorkUnitBase::in_blacklist(int) –> bool

init_from_cmd(self: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_NormalMode, : int) → None¶: C++: protocols::mpi_refinement::WorkUnit_NormalMode::init_from_cmd(const unsigned long) –> void

last_received_from(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → int¶: C++: protocols::wum::WorkUnitBase::last_received_from() –> unsigned long

mem_footprint(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → int¶

Return the memory usage of this WorkUnit

C++: protocols::wum::WorkUnitBase::mem_footprint() const –> unsigned long

print(*args, **kwargs)¶

Overloaded function.

print(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase, out: pyrosetta.rosetta.std.ostream) -> None
print(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase, out: pyrosetta.rosetta.std.ostream, verbose: bool) -> None

Print header information to the stream, single line by default or verbose if verbose is set to true

C++: protocols::wum::WorkUnitBase::print(std::ostream &, bool) const –> void

run(self: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_NormalMode) → None¶: C++: protocols::mpi_refinement::WorkUnit_NormalMode::run() –> void

serialize(self: pyrosetta.rosetta.protocols.wum.WorkUnit_SilentStructStore) → None¶

write decoys into serial data store overwritinge whatever was there before. It basically syncs the silent struct store with the derial data

C++: protocols::wum::WorkUnit_SilentStructStore::serialize() –> void

set_extra_data_1(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase, value: int) → None¶: C++: protocols::wum::WorkUnitBase::set_extra_data_1(const unsigned long) –> void

set_extra_data_2(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase, value: int) → None¶: C++: protocols::wum::WorkUnitBase::set_extra_data_2(const unsigned long) –> void

set_extra_data_3(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase, value: int) → None¶: C++: protocols::wum::WorkUnitBase::set_extra_data_3(const unsigned long) –> void

set_options(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase, text: str) → None¶

Accesor to the “options” text field

C++: protocols::wum::WorkUnitBase::set_options(const std::string &) –> void

set_wu_type(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase, text: str) → None¶

Accessor to header structure, sets the WorkUnit Type

C++: protocols::wum::WorkUnitBase::set_wu_type(const std::string &) –> void

class pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_PartialAbinitio¶

Bases: WorkUnit_Sampler

///// WorkUnit PartialAbinitio

class WU_Header¶

Bases: pybind11_object

this structure can contain any non-dynamicly allocated data. Any simple data types can be used here, ints, real, floats, char, etc..

assign(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase.WU_Header, : pyrosetta.rosetta.protocols.wum.WorkUnitBase.WU_Header) → pyrosetta.rosetta.protocols.wum.WorkUnitBase.WU_Header¶: C++: protocols::wum::WorkUnitBase::WU_Header::operator=(const struct protocols::wum::WorkUnitBase::WU_Header &) –> struct protocols::wum::WorkUnitBase::WU_Header &

property extra_data_1_¶

property extra_data_2_¶

property extra_data_3_¶

property extra_data_4_¶

property id_¶

property unixtime_creation_¶

property unixtime_start_¶

property unixtime_stop_¶

add_blacklist(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase, mpi_rank: int) → None¶

Adds to the blacklist

C++: protocols::wum::WorkUnitBase::add_blacklist(int) –> void

assign(self: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_PartialAbinitio, : pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_PartialAbinitio) → pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_PartialAbinitio¶: C++: protocols::mpi_refinement::WorkUnit_PartialAbinitio::operator=(const class protocols::mpi_refinement::WorkUnit_PartialAbinitio &) –> class protocols::mpi_refinement::WorkUnit_PartialAbinitio &

clear_blacklist(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → None¶

Erases the blacklist

C++: protocols::wum::WorkUnitBase::clear_blacklist() –> void

clear_serial_data(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → None¶

Remove all data, make sure that the memory is also cleared, hence the cals to reserve

C++: protocols::wum::WorkUnitBase::clear_serial_data() –> void

clone(self: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_PartialAbinitio) → pyrosetta.rosetta.protocols.wum.WorkUnitBase¶: C++: protocols::mpi_refinement::WorkUnit_PartialAbinitio::clone() const –> class std::shared_ptr<class protocols::wum::WorkUnitBase>

decoys(self: pyrosetta.rosetta.protocols.wum.WorkUnit_SilentStructStore) → pyrosetta.rosetta.protocols.wum.SilentStructStore¶

Accessor for decoy store

C++: protocols::wum::WorkUnit_SilentStructStore::decoys() –> class protocols::wum::SilentStructStore &

deserialize(self: pyrosetta.rosetta.protocols.wum.WorkUnit_SilentStructStore) → None¶

Make ready for working

C++: protocols::wum::WorkUnit_SilentStructStore::deserialize() –> void

extra_data_1(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → int¶

Accessor to the extra_data_1 and 3 field of the header

C++: protocols::wum::WorkUnitBase::extra_data_1() –> unsigned long

extra_data_2(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → int¶: C++: protocols::wum::WorkUnitBase::extra_data_2() –> unsigned long

extra_data_3(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → int¶: C++: protocols::wum::WorkUnitBase::extra_data_3() –> unsigned long

get_options(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → str¶

Optain the options string from the header

C++: protocols::wum::WorkUnitBase::get_options() const –> std::string

get_run_time(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → int¶

Returns the differrence between unix start and stop times

C++: protocols::wum::WorkUnitBase::get_run_time() –> unsigned long

get_wu_type(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → str¶

Accessor to header structure, return the WorkUnit Type

C++: protocols::wum::WorkUnitBase::get_wu_type() const –> std::string

id(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → int¶

Accessor to the ID of the WorkUnit

C++: protocols::wum::WorkUnitBase::id() –> unsigned long

in_blacklist(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase, mpi_rank: int) → bool¶

Finds in blacklist, true if is, false if it isn’t

C++: protocols::wum::WorkUnitBase::in_blacklist(int) –> bool

init_from_cmd(self: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_Sampler, mpi_rank: int) → None¶: C++: protocols::mpi_refinement::WorkUnit_Sampler::init_from_cmd(const unsigned long) –> void

last_received_from(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → int¶: C++: protocols::wum::WorkUnitBase::last_received_from() –> unsigned long

mem_footprint(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → int¶

Return the memory usage of this WorkUnit

C++: protocols::wum::WorkUnitBase::mem_footprint() const –> unsigned long

print(*args, **kwargs)¶

Overloaded function.

print(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase, out: pyrosetta.rosetta.std.ostream) -> None
print(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase, out: pyrosetta.rosetta.std.ostream, verbose: bool) -> None

Print header information to the stream, single line by default or verbose if verbose is set to true

C++: protocols::wum::WorkUnitBase::print(std::ostream &, bool) const –> void

run(self: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_PartialAbinitio) → None¶: C++: protocols::mpi_refinement::WorkUnit_PartialAbinitio::run() –> void

serialize(self: pyrosetta.rosetta.protocols.wum.WorkUnit_SilentStructStore) → None¶

write decoys into serial data store overwritinge whatever was there before. It basically syncs the silent struct store with the derial data

C++: protocols::wum::WorkUnit_SilentStructStore::serialize() –> void

set_extra_data_1(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase, value: int) → None¶: C++: protocols::wum::WorkUnitBase::set_extra_data_1(const unsigned long) –> void

set_extra_data_2(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase, value: int) → None¶: C++: protocols::wum::WorkUnitBase::set_extra_data_2(const unsigned long) –> void

set_extra_data_3(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase, value: int) → None¶: C++: protocols::wum::WorkUnitBase::set_extra_data_3(const unsigned long) –> void

set_nsteps(self: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_PartialAbinitio, setting: int) → None¶: C++: protocols::mpi_refinement::WorkUnit_PartialAbinitio::set_nsteps(const unsigned long) –> void

set_options(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase, text: str) → None¶

Accesor to the “options” text field

C++: protocols::wum::WorkUnitBase::set_options(const std::string &) –> void

set_reconstruct(self: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_PartialAbinitio, setting: int) → None¶: C++: protocols::mpi_refinement::WorkUnit_PartialAbinitio::set_reconstruct(const unsigned long) –> void

set_res1(self: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_PartialAbinitio, setting: int) → None¶: C++: protocols::mpi_refinement::WorkUnit_PartialAbinitio::set_res1(const unsigned long) –> void

set_res2(self: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_PartialAbinitio, setting: int) → None¶: C++: protocols::mpi_refinement::WorkUnit_PartialAbinitio::set_res2(const unsigned long) –> void

set_wu_type(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase, text: str) → None¶

Accessor to header structure, sets the WorkUnit Type

C++: protocols::wum::WorkUnitBase::set_wu_type(const std::string &) –> void

class pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_RamaPerturber¶

Bases: WorkUnit_Sampler

///// WorkUnit RamaPerturber

class WU_Header¶

Bases: pybind11_object

this structure can contain any non-dynamicly allocated data. Any simple data types can be used here, ints, real, floats, char, etc..

assign(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase.WU_Header, : pyrosetta.rosetta.protocols.wum.WorkUnitBase.WU_Header) → pyrosetta.rosetta.protocols.wum.WorkUnitBase.WU_Header¶: C++: protocols::wum::WorkUnitBase::WU_Header::operator=(const struct protocols::wum::WorkUnitBase::WU_Header &) –> struct protocols::wum::WorkUnitBase::WU_Header &

property extra_data_1_¶

property extra_data_2_¶

property extra_data_3_¶

property extra_data_4_¶

property id_¶

property unixtime_creation_¶

property unixtime_start_¶

property unixtime_stop_¶

add_blacklist(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase, mpi_rank: int) → None¶

Adds to the blacklist

C++: protocols::wum::WorkUnitBase::add_blacklist(int) –> void

assign(self: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_RamaPerturber, : pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_RamaPerturber) → pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_RamaPerturber¶: C++: protocols::mpi_refinement::WorkUnit_RamaPerturber::operator=(const class protocols::mpi_refinement::WorkUnit_RamaPerturber &) –> class protocols::mpi_refinement::WorkUnit_RamaPerturber &

clear_blacklist(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → None¶

Erases the blacklist

C++: protocols::wum::WorkUnitBase::clear_blacklist() –> void

clear_serial_data(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → None¶

Remove all data, make sure that the memory is also cleared, hence the cals to reserve

C++: protocols::wum::WorkUnitBase::clear_serial_data() –> void

clone(self: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_RamaPerturber) → pyrosetta.rosetta.protocols.wum.WorkUnitBase¶: C++: protocols::mpi_refinement::WorkUnit_RamaPerturber::clone() const –> class std::shared_ptr<class protocols::wum::WorkUnitBase>

decoys(self: pyrosetta.rosetta.protocols.wum.WorkUnit_SilentStructStore) → pyrosetta.rosetta.protocols.wum.SilentStructStore¶

Accessor for decoy store

C++: protocols::wum::WorkUnit_SilentStructStore::decoys() –> class protocols::wum::SilentStructStore &

deserialize(self: pyrosetta.rosetta.protocols.wum.WorkUnit_SilentStructStore) → None¶

Make ready for working

C++: protocols::wum::WorkUnit_SilentStructStore::deserialize() –> void

extra_data_1(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → int¶

Accessor to the extra_data_1 and 3 field of the header

C++: protocols::wum::WorkUnitBase::extra_data_1() –> unsigned long

extra_data_2(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → int¶: C++: protocols::wum::WorkUnitBase::extra_data_2() –> unsigned long

extra_data_3(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → int¶: C++: protocols::wum::WorkUnitBase::extra_data_3() –> unsigned long

get_options(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → str¶

Optain the options string from the header

C++: protocols::wum::WorkUnitBase::get_options() const –> std::string

get_run_time(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → int¶

Returns the differrence between unix start and stop times

C++: protocols::wum::WorkUnitBase::get_run_time() –> unsigned long

get_wu_type(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → str¶

Accessor to header structure, return the WorkUnit Type

C++: protocols::wum::WorkUnitBase::get_wu_type() const –> std::string

id(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → int¶

Accessor to the ID of the WorkUnit

C++: protocols::wum::WorkUnitBase::id() –> unsigned long

in_blacklist(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase, mpi_rank: int) → bool¶

Finds in blacklist, true if is, false if it isn’t

C++: protocols::wum::WorkUnitBase::in_blacklist(int) –> bool

init_from_cmd(self: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_RamaPerturber, : int) → None¶: C++: protocols::mpi_refinement::WorkUnit_RamaPerturber::init_from_cmd(const unsigned long) –> void

last_received_from(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → int¶: C++: protocols::wum::WorkUnitBase::last_received_from() –> unsigned long

mem_footprint(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → int¶

Return the memory usage of this WorkUnit

C++: protocols::wum::WorkUnitBase::mem_footprint() const –> unsigned long

print(*args, **kwargs)¶

Overloaded function.

print(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase, out: pyrosetta.rosetta.std.ostream) -> None
print(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase, out: pyrosetta.rosetta.std.ostream, verbose: bool) -> None

Print header information to the stream, single line by default or verbose if verbose is set to true

C++: protocols::wum::WorkUnitBase::print(std::ostream &, bool) const –> void

run(self: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_RamaPerturber) → None¶: C++: protocols::mpi_refinement::WorkUnit_RamaPerturber::run() –> void

serialize(self: pyrosetta.rosetta.protocols.wum.WorkUnit_SilentStructStore) → None¶

write decoys into serial data store overwritinge whatever was there before. It basically syncs the silent struct store with the derial data

C++: protocols::wum::WorkUnit_SilentStructStore::serialize() –> void

set_extra_data_1(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase, value: int) → None¶: C++: protocols::wum::WorkUnitBase::set_extra_data_1(const unsigned long) –> void

set_extra_data_2(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase, value: int) → None¶: C++: protocols::wum::WorkUnitBase::set_extra_data_2(const unsigned long) –> void

set_extra_data_3(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase, value: int) → None¶: C++: protocols::wum::WorkUnitBase::set_extra_data_3(const unsigned long) –> void

set_kT(self: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_RamaPerturber, setting: float) → None¶: C++: protocols::mpi_refinement::WorkUnit_RamaPerturber::set_kT(const double) –> void

set_nsteps(self: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_RamaPerturber, setting: int) → None¶: C++: protocols::mpi_refinement::WorkUnit_RamaPerturber::set_nsteps(const unsigned long) –> void

set_options(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase, text: str) → None¶

Accesor to the “options” text field

C++: protocols::wum::WorkUnitBase::set_options(const std::string &) –> void

set_res1(self: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_RamaPerturber, setting: int) → None¶: C++: protocols::mpi_refinement::WorkUnit_RamaPerturber::set_res1(const unsigned long) –> void

set_res2(self: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_RamaPerturber, setting: int) → None¶: C++: protocols::mpi_refinement::WorkUnit_RamaPerturber::set_res2(const unsigned long) –> void

set_wu_type(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase, text: str) → None¶

Accessor to header structure, sets the WorkUnit Type

C++: protocols::wum::WorkUnitBase::set_wu_type(const std::string &) –> void

class pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_Relax¶

Bases: WorkUnit_Sampler

///// WorkUnit Relax

class WU_Header¶

Bases: pybind11_object

this structure can contain any non-dynamicly allocated data. Any simple data types can be used here, ints, real, floats, char, etc..

assign(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase.WU_Header, : pyrosetta.rosetta.protocols.wum.WorkUnitBase.WU_Header) → pyrosetta.rosetta.protocols.wum.WorkUnitBase.WU_Header¶: C++: protocols::wum::WorkUnitBase::WU_Header::operator=(const struct protocols::wum::WorkUnitBase::WU_Header &) –> struct protocols::wum::WorkUnitBase::WU_Header &

property extra_data_1_¶

property extra_data_2_¶

property extra_data_3_¶

property extra_data_4_¶

property id_¶

property unixtime_creation_¶

property unixtime_start_¶

property unixtime_stop_¶

add_blacklist(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase, mpi_rank: int) → None¶

Adds to the blacklist

C++: protocols::wum::WorkUnitBase::add_blacklist(int) –> void

assign(self: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_Relax, : pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_Relax) → pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_Relax¶: C++: protocols::mpi_refinement::WorkUnit_Relax::operator=(const class protocols::mpi_refinement::WorkUnit_Relax &) –> class protocols::mpi_refinement::WorkUnit_Relax &

clear_blacklist(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → None¶

Erases the blacklist

C++: protocols::wum::WorkUnitBase::clear_blacklist() –> void

clear_serial_data(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → None¶

Remove all data, make sure that the memory is also cleared, hence the cals to reserve

C++: protocols::wum::WorkUnitBase::clear_serial_data() –> void

clone(self: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_Relax) → pyrosetta.rosetta.protocols.wum.WorkUnitBase¶: C++: protocols::mpi_refinement::WorkUnit_Relax::clone() const –> class std::shared_ptr<class protocols::wum::WorkUnitBase>

decoys(self: pyrosetta.rosetta.protocols.wum.WorkUnit_SilentStructStore) → pyrosetta.rosetta.protocols.wum.SilentStructStore¶

Accessor for decoy store

C++: protocols::wum::WorkUnit_SilentStructStore::decoys() –> class protocols::wum::SilentStructStore &

deserialize(self: pyrosetta.rosetta.protocols.wum.WorkUnit_SilentStructStore) → None¶

Make ready for working

C++: protocols::wum::WorkUnit_SilentStructStore::deserialize() –> void

extra_data_1(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → int¶

Accessor to the extra_data_1 and 3 field of the header

C++: protocols::wum::WorkUnitBase::extra_data_1() –> unsigned long

extra_data_2(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → int¶: C++: protocols::wum::WorkUnitBase::extra_data_2() –> unsigned long

extra_data_3(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → int¶: C++: protocols::wum::WorkUnitBase::extra_data_3() –> unsigned long

get_options(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → str¶

Optain the options string from the header

C++: protocols::wum::WorkUnitBase::get_options() const –> std::string

get_run_time(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → int¶

Returns the differrence between unix start and stop times

C++: protocols::wum::WorkUnitBase::get_run_time() –> unsigned long

get_wu_type(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → str¶

Accessor to header structure, return the WorkUnit Type

C++: protocols::wum::WorkUnitBase::get_wu_type() const –> std::string

id(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → int¶

Accessor to the ID of the WorkUnit

C++: protocols::wum::WorkUnitBase::id() –> unsigned long

in_blacklist(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase, mpi_rank: int) → bool¶

Finds in blacklist, true if is, false if it isn’t

C++: protocols::wum::WorkUnitBase::in_blacklist(int) –> bool

init_from_cmd(self: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_Sampler, mpi_rank: int) → None¶: C++: protocols::mpi_refinement::WorkUnit_Sampler::init_from_cmd(const unsigned long) –> void

last_received_from(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → int¶: C++: protocols::wum::WorkUnitBase::last_received_from() –> unsigned long

mem_footprint(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → int¶

Return the memory usage of this WorkUnit

C++: protocols::wum::WorkUnitBase::mem_footprint() const –> unsigned long

print(*args, **kwargs)¶

Overloaded function.

print(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase, out: pyrosetta.rosetta.std.ostream) -> None
print(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase, out: pyrosetta.rosetta.std.ostream, verbose: bool) -> None

Print header information to the stream, single line by default or verbose if verbose is set to true

C++: protocols::wum::WorkUnitBase::print(std::ostream &, bool) const –> void

run(self: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_Relax) → None¶: C++: protocols::mpi_refinement::WorkUnit_Relax::run() –> void

serialize(self: pyrosetta.rosetta.protocols.wum.WorkUnit_SilentStructStore) → None¶

write decoys into serial data store overwritinge whatever was there before. It basically syncs the silent struct store with the derial data

C++: protocols::wum::WorkUnit_SilentStructStore::serialize() –> void

set_cstweight(self: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_Relax, setting: float) → None¶: C++: protocols::mpi_refinement::WorkUnit_Relax::set_cstweight(const double) –> void

set_extra_data_1(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase, value: int) → None¶: C++: protocols::wum::WorkUnitBase::set_extra_data_1(const unsigned long) –> void

set_extra_data_2(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase, value: int) → None¶: C++: protocols::wum::WorkUnitBase::set_extra_data_2(const unsigned long) –> void

set_extra_data_3(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase, value: int) → None¶: C++: protocols::wum::WorkUnitBase::set_extra_data_3(const unsigned long) –> void

set_nrepeat(self: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_Relax, setting: int) → None¶: C++: protocols::mpi_refinement::WorkUnit_Relax::set_nrepeat(const unsigned long) –> void

set_options(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase, text: str) → None¶

Accesor to the “options” text field

C++: protocols::wum::WorkUnitBase::set_options(const std::string &) –> void

set_relaxtype(self: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_Relax, setting: int) → None¶: C++: protocols::mpi_refinement::WorkUnit_Relax::set_relaxtype(const unsigned long) –> void

set_scoretype(self: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_Relax, setting: int) → None¶: C++: protocols::mpi_refinement::WorkUnit_Relax::set_scoretype(const unsigned long) –> void

set_wu_type(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase, text: str) → None¶

Accessor to header structure, sets the WorkUnit Type

C++: protocols::wum::WorkUnitBase::set_wu_type(const std::string &) –> void

class pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_Sampler¶

Bases: WorkUnit_SilentStructStore

class WU_Header¶

Bases: pybind11_object

this structure can contain any non-dynamicly allocated data. Any simple data types can be used here, ints, real, floats, char, etc..

assign(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase.WU_Header, : pyrosetta.rosetta.protocols.wum.WorkUnitBase.WU_Header) → pyrosetta.rosetta.protocols.wum.WorkUnitBase.WU_Header¶: C++: protocols::wum::WorkUnitBase::WU_Header::operator=(const struct protocols::wum::WorkUnitBase::WU_Header &) –> struct protocols::wum::WorkUnitBase::WU_Header &

property extra_data_1_¶

property extra_data_2_¶

property extra_data_3_¶

property extra_data_4_¶

property id_¶

property unixtime_creation_¶

property unixtime_start_¶

property unixtime_stop_¶

add_blacklist(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase, mpi_rank: int) → None¶

Adds to the blacklist

C++: protocols::wum::WorkUnitBase::add_blacklist(int) –> void

assign(self: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_Sampler, : pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_Sampler) → pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_Sampler¶: C++: protocols::mpi_refinement::WorkUnit_Sampler::operator=(const class protocols::mpi_refinement::WorkUnit_Sampler &) –> class protocols::mpi_refinement::WorkUnit_Sampler &

clear_blacklist(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → None¶

Erases the blacklist

C++: protocols::wum::WorkUnitBase::clear_blacklist() –> void

clear_serial_data(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → None¶

Remove all data, make sure that the memory is also cleared, hence the cals to reserve

C++: protocols::wum::WorkUnitBase::clear_serial_data() –> void

clone(self: pyrosetta.rosetta.protocols.wum.WorkUnit_SilentStructStore) → pyrosetta.rosetta.protocols.wum.WorkUnitBase¶: C++: protocols::wum::WorkUnit_SilentStructStore::clone() const –> class std::shared_ptr<class protocols::wum::WorkUnitBase>

decoys(self: pyrosetta.rosetta.protocols.wum.WorkUnit_SilentStructStore) → pyrosetta.rosetta.protocols.wum.SilentStructStore¶

Accessor for decoy store

C++: protocols::wum::WorkUnit_SilentStructStore::decoys() –> class protocols::wum::SilentStructStore &

deserialize(self: pyrosetta.rosetta.protocols.wum.WorkUnit_SilentStructStore) → None¶

Make ready for working

C++: protocols::wum::WorkUnit_SilentStructStore::deserialize() –> void

extra_data_1(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → int¶

Accessor to the extra_data_1 and 3 field of the header

C++: protocols::wum::WorkUnitBase::extra_data_1() –> unsigned long

extra_data_2(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → int¶: C++: protocols::wum::WorkUnitBase::extra_data_2() –> unsigned long

extra_data_3(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → int¶: C++: protocols::wum::WorkUnitBase::extra_data_3() –> unsigned long

get_options(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → str¶

Optain the options string from the header

C++: protocols::wum::WorkUnitBase::get_options() const –> std::string

get_run_time(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → int¶

Returns the differrence between unix start and stop times

C++: protocols::wum::WorkUnitBase::get_run_time() –> unsigned long

get_wu_type(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → str¶

Accessor to header structure, return the WorkUnit Type

C++: protocols::wum::WorkUnitBase::get_wu_type() const –> std::string

id(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → int¶

Accessor to the ID of the WorkUnit

C++: protocols::wum::WorkUnitBase::id() –> unsigned long

in_blacklist(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase, mpi_rank: int) → bool¶

Finds in blacklist, true if is, false if it isn’t

C++: protocols::wum::WorkUnitBase::in_blacklist(int) –> bool

init_from_cmd(self: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_Sampler, mpi_rank: int) → None¶: C++: protocols::mpi_refinement::WorkUnit_Sampler::init_from_cmd(const unsigned long) –> void

last_received_from(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → int¶: C++: protocols::wum::WorkUnitBase::last_received_from() –> unsigned long

mem_footprint(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → int¶

Return the memory usage of this WorkUnit

C++: protocols::wum::WorkUnitBase::mem_footprint() const –> unsigned long

print(*args, **kwargs)¶

Overloaded function.

print(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase, out: pyrosetta.rosetta.std.ostream) -> None
print(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase, out: pyrosetta.rosetta.std.ostream, verbose: bool) -> None

Print header information to the stream, single line by default or verbose if verbose is set to true

C++: protocols::wum::WorkUnitBase::print(std::ostream &, bool) const –> void

run(self: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_Sampler) → None¶: C++: protocols::mpi_refinement::WorkUnit_Sampler::run() –> void

serialize(self: pyrosetta.rosetta.protocols.wum.WorkUnit_SilentStructStore) → None¶

write decoys into serial data store overwritinge whatever was there before. It basically syncs the silent struct store with the derial data

C++: protocols::wum::WorkUnit_SilentStructStore::serialize() –> void

set_extra_data_1(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase, value: int) → None¶: C++: protocols::wum::WorkUnitBase::set_extra_data_1(const unsigned long) –> void

set_extra_data_2(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase, value: int) → None¶: C++: protocols::wum::WorkUnitBase::set_extra_data_2(const unsigned long) –> void

set_extra_data_3(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase, value: int) → None¶: C++: protocols::wum::WorkUnitBase::set_extra_data_3(const unsigned long) –> void

set_options(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase, text: str) → None¶

Accesor to the “options” text field

C++: protocols::wum::WorkUnitBase::set_options(const std::string &) –> void

set_wu_type(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase, text: str) → None¶

Accessor to header structure, sets the WorkUnit Type

C++: protocols::wum::WorkUnitBase::set_wu_type(const std::string &) –> void

class pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_bbGauss¶

Bases: WorkUnit_Sampler

///// WorkUnit bbGauss

class WU_Header¶

Bases: pybind11_object

this structure can contain any non-dynamicly allocated data. Any simple data types can be used here, ints, real, floats, char, etc..

assign(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase.WU_Header, : pyrosetta.rosetta.protocols.wum.WorkUnitBase.WU_Header) → pyrosetta.rosetta.protocols.wum.WorkUnitBase.WU_Header¶: C++: protocols::wum::WorkUnitBase::WU_Header::operator=(const struct protocols::wum::WorkUnitBase::WU_Header &) –> struct protocols::wum::WorkUnitBase::WU_Header &

property extra_data_1_¶

property extra_data_2_¶

property extra_data_3_¶

property extra_data_4_¶

property id_¶

property unixtime_creation_¶

property unixtime_start_¶

property unixtime_stop_¶

add_blacklist(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase, mpi_rank: int) → None¶

Adds to the blacklist

C++: protocols::wum::WorkUnitBase::add_blacklist(int) –> void

assign(self: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_bbGauss, : pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_bbGauss) → pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_bbGauss¶: C++: protocols::mpi_refinement::WorkUnit_bbGauss::operator=(const class protocols::mpi_refinement::WorkUnit_bbGauss &) –> class protocols::mpi_refinement::WorkUnit_bbGauss &

clear_blacklist(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → None¶

Erases the blacklist

C++: protocols::wum::WorkUnitBase::clear_blacklist() –> void

clear_serial_data(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → None¶

Remove all data, make sure that the memory is also cleared, hence the cals to reserve

C++: protocols::wum::WorkUnitBase::clear_serial_data() –> void

clone(self: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_bbGauss) → pyrosetta.rosetta.protocols.wum.WorkUnitBase¶: C++: protocols::mpi_refinement::WorkUnit_bbGauss::clone() const –> class std::shared_ptr<class protocols::wum::WorkUnitBase>

decoys(self: pyrosetta.rosetta.protocols.wum.WorkUnit_SilentStructStore) → pyrosetta.rosetta.protocols.wum.SilentStructStore¶

Accessor for decoy store

C++: protocols::wum::WorkUnit_SilentStructStore::decoys() –> class protocols::wum::SilentStructStore &

deserialize(self: pyrosetta.rosetta.protocols.wum.WorkUnit_SilentStructStore) → None¶

Make ready for working

C++: protocols::wum::WorkUnit_SilentStructStore::deserialize() –> void

extra_data_1(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → int¶

Accessor to the extra_data_1 and 3 field of the header

C++: protocols::wum::WorkUnitBase::extra_data_1() –> unsigned long

extra_data_2(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → int¶: C++: protocols::wum::WorkUnitBase::extra_data_2() –> unsigned long

extra_data_3(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → int¶: C++: protocols::wum::WorkUnitBase::extra_data_3() –> unsigned long

get_options(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → str¶

Optain the options string from the header

C++: protocols::wum::WorkUnitBase::get_options() const –> std::string

get_run_time(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → int¶

Returns the differrence between unix start and stop times

C++: protocols::wum::WorkUnitBase::get_run_time() –> unsigned long

get_wu_type(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → str¶

Accessor to header structure, return the WorkUnit Type

C++: protocols::wum::WorkUnitBase::get_wu_type() const –> std::string

id(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → int¶

Accessor to the ID of the WorkUnit

C++: protocols::wum::WorkUnitBase::id() –> unsigned long

in_blacklist(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase, mpi_rank: int) → bool¶

Finds in blacklist, true if is, false if it isn’t

C++: protocols::wum::WorkUnitBase::in_blacklist(int) –> bool

init_from_cmd(self: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_Sampler, mpi_rank: int) → None¶: C++: protocols::mpi_refinement::WorkUnit_Sampler::init_from_cmd(const unsigned long) –> void

last_received_from(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → int¶: C++: protocols::wum::WorkUnitBase::last_received_from() –> unsigned long

mem_footprint(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → int¶

Return the memory usage of this WorkUnit

C++: protocols::wum::WorkUnitBase::mem_footprint() const –> unsigned long

print(*args, **kwargs)¶

Overloaded function.

print(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase, out: pyrosetta.rosetta.std.ostream) -> None
print(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase, out: pyrosetta.rosetta.std.ostream, verbose: bool) -> None

Print header information to the stream, single line by default or verbose if verbose is set to true

C++: protocols::wum::WorkUnitBase::print(std::ostream &, bool) const –> void

run(self: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_bbGauss) → None¶: C++: protocols::mpi_refinement::WorkUnit_bbGauss::run() –> void

serialize(self: pyrosetta.rosetta.protocols.wum.WorkUnit_SilentStructStore) → None¶

write decoys into serial data store overwritinge whatever was there before. It basically syncs the silent struct store with the derial data

C++: protocols::wum::WorkUnit_SilentStructStore::serialize() –> void

set_centroid(self: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_bbGauss, setting: int) → None¶: C++: protocols::mpi_refinement::WorkUnit_bbGauss::set_centroid(unsigned long) –> void

set_extra_data_1(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase, value: int) → None¶: C++: protocols::wum::WorkUnitBase::set_extra_data_1(const unsigned long) –> void

set_extra_data_2(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase, value: int) → None¶: C++: protocols::wum::WorkUnitBase::set_extra_data_2(const unsigned long) –> void

set_extra_data_3(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase, value: int) → None¶: C++: protocols::wum::WorkUnitBase::set_extra_data_3(const unsigned long) –> void

set_kT(self: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_bbGauss, setting: float) → None¶: C++: protocols::mpi_refinement::WorkUnit_bbGauss::set_kT(const double) –> void

set_nstruct(self: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_bbGauss, setting: int) → None¶: C++: protocols::mpi_refinement::WorkUnit_bbGauss::set_nstruct(unsigned long) –> void

set_options(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase, text: str) → None¶

Accesor to the “options” text field

C++: protocols::wum::WorkUnitBase::set_options(const std::string &) –> void

set_segdef(self: pyrosetta.rosetta.protocols.mpi_refinement.WorkUnit_bbGauss, setting: int) → None¶: C++: protocols::mpi_refinement::WorkUnit_bbGauss::set_segdef(unsigned long) –> void

set_wu_type(self: pyrosetta.rosetta.protocols.wum.WorkUnitBase, text: str) → None¶

Accessor to header structure, sets the WorkUnit Type

C++: protocols::wum::WorkUnitBase::set_wu_type(const std::string &) –> void

pyrosetta.rosetta.protocols.mpi_refinement.Zscore_to_library(*args, **kwargs)¶

Overloaded function.

Zscore_to_library(score: float, mean: float, stdev: float) -> float
Zscore_to_library(score: float, mean: float, stdev: float, maxval: float) -> float
Zscore_to_library(score: float, mean: float, stdev: float, maxval: float, minval: float) -> float

C++: protocols::mpi_refinement::Zscore_to_library(const double, const double, const double, const double, const double) –> double

pyrosetta.rosetta.protocols.mpi_refinement.add_init_dev_penalty(*args, **kwargs)¶

Overloaded function.

add_init_dev_penalty(ss: pyrosetta.rosetta.core.io.silent.SilentStruct, init_xyz: pyrosetta.rosetta.ObjexxFCL.FArray2D_double_t) -> None
add_init_dev_penalty(ss: pyrosetta.rosetta.core.io.silent.SilentStruct, init_xyz: pyrosetta.rosetta.ObjexxFCL.FArray2D_double_t, mode: str) -> None
add_init_dev_penalty(ss: pyrosetta.rosetta.core.io.silent.SilentStruct, init_xyz: pyrosetta.rosetta.ObjexxFCL.FArray2D_double_t, mode: str, iha_cut: float) -> None
add_init_dev_penalty(ss: pyrosetta.rosetta.core.io.silent.SilentStruct, init_xyz: pyrosetta.rosetta.ObjexxFCL.FArray2D_double_t, mode: str, iha_cut: float, iha_penalty_slope: float) -> None

C++: protocols::mpi_refinement::add_init_dev_penalty(class std::shared_ptr<class core::io::silent::SilentStruct>, const class ObjexxFCL::FArray2D<double>, const std::string &, const double, const double) –> void

add_init_dev_penalty(ss: pyrosetta.rosetta.core.io.silent.SilentStruct, pose0: pyrosetta.rosetta.core.pose.Pose) -> None
add_init_dev_penalty(ss: pyrosetta.rosetta.core.io.silent.SilentStruct, pose0: pyrosetta.rosetta.core.pose.Pose, mode: str) -> None
add_init_dev_penalty(ss: pyrosetta.rosetta.core.io.silent.SilentStruct, pose0: pyrosetta.rosetta.core.pose.Pose, mode: str, iha_cut: float) -> None
add_init_dev_penalty(ss: pyrosetta.rosetta.core.io.silent.SilentStruct, pose0: pyrosetta.rosetta.core.pose.Pose, mode: str, iha_cut: float, iha_penalty_slope: float) -> None

C++: protocols::mpi_refinement::add_init_dev_penalty(class std::shared_ptr<class core::io::silent::SilentStruct>, const class core::pose::Pose, const std::string &, const double, const double) –> void

add_init_dev_penalty(structs: pyrosetta.rosetta.protocols.wum.SilentStructStore, pose0: pyrosetta.rosetta.core.pose.Pose) -> None
add_init_dev_penalty(structs: pyrosetta.rosetta.protocols.wum.SilentStructStore, pose0: pyrosetta.rosetta.core.pose.Pose, mode: str) -> None
add_init_dev_penalty(structs: pyrosetta.rosetta.protocols.wum.SilentStructStore, pose0: pyrosetta.rosetta.core.pose.Pose, mode: str, iha_cut: float) -> None
add_init_dev_penalty(structs: pyrosetta.rosetta.protocols.wum.SilentStructStore, pose0: pyrosetta.rosetta.core.pose.Pose, mode: str, iha_cut: float, iha_penalty_slope: float) -> None

C++: protocols::mpi_refinement::add_init_dev_penalty(class protocols::wum::SilentStructStore &, const class core::pose::Pose, const std::string &, const double, const double) –> void

pyrosetta.rosetta.protocols.mpi_refinement.add_movemap_from_loopres(mm: pyrosetta.rosetta.core.kinematics.MoveMap, pose: pyrosetta.rosetta.core.pose.Pose, loopres: pyrosetta.rosetta.utility.vector1_unsigned_long, nonideal: bool) → None¶: C++: protocols::mpi_refinement::add_movemap_from_loopres(class core::kinematics::MoveMap &, const class core::pose::Pose &, const class utility::vector1<unsigned long, class std::allocator<unsigned long> >, const bool) –> void

pyrosetta.rosetta.protocols.mpi_refinement.add_poseinfo_to_ss(ss: pyrosetta.rosetta.core.io.silent.SilentStruct, ref_pose: pyrosetta.rosetta.core.pose.Pose, suffix: str) → None¶: C++: protocols::mpi_refinement::add_poseinfo_to_ss(class core::io::silent::SilentStruct &, const class core::pose::Pose &, const std::string &) –> void

pyrosetta.rosetta.protocols.mpi_refinement.constrain_residue(*args, **kwargs)¶

Overloaded function.

constrain_residue(pose: pyrosetta.rosetta.core.pose.Pose, resno: int, exclres: pyrosetta.rosetta.utility.vector1_unsigned_long) -> None
constrain_residue(pose: pyrosetta.rosetta.core.pose.Pose, resno: int, exclres: pyrosetta.rosetta.utility.vector1_unsigned_long, cst_type: str) -> None
constrain_residue(pose: pyrosetta.rosetta.core.pose.Pose, resno: int, exclres: pyrosetta.rosetta.utility.vector1_unsigned_long, cst_type: str, stdev: float) -> None

C++: protocols::mpi_refinement::constrain_residue(class core::pose::Pose &, const unsigned long, const class utility::vector1<unsigned long, class std::allocator<unsigned long> >, const std::string &, const double) –> void

pyrosetta.rosetta.protocols.mpi_refinement.copy_pose_crd(pose_frame: pyrosetta.rosetta.core.pose.Pose, pose_work: pyrosetta.rosetta.core.pose.Pose, loopregions: pyrosetta.rosetta.utility.vector1_utility_vector1_unsigned_long_std_allocator_unsigned_long_t) → None¶: C++: protocols::mpi_refinement::copy_pose_crd(const class core::pose::Pose, class core::pose::Pose &, const class utility::vector1<class utility::vector1<unsigned long, class std::allocator<unsigned long> >, class std::allocator<class utility::vector1<unsigned long, class std::allocator<unsigned long> > > >) –> void

pyrosetta.rosetta.protocols.mpi_refinement.distance(ss1: pyrosetta.rosetta.core.io.silent.SilentStruct, ss2: pyrosetta.rosetta.core.io.silent.SilentStruct, similarity_measure: str, superimpose: bool) → float¶: C++: protocols::mpi_refinement::distance(class std::shared_ptr<class core::io::silent::SilentStruct>, class std::shared_ptr<class core::io::silent::SilentStruct>, const std::string &, const bool) –> double

pyrosetta.rosetta.protocols.mpi_refinement.get_loop_info(ss: pyrosetta.rosetta.core.io.silent.SilentStruct, res1: int, res2: int, is_terminus: bool) → None¶: C++: protocols::mpi_refinement::get_loop_info(class std::shared_ptr<class core::io::silent::SilentStruct>, unsigned long &, unsigned long &, bool &) –> void

pyrosetta.rosetta.protocols.mpi_refinement.get_loop_info_full(*args, **kwargs)¶

Overloaded function.

get_loop_info_full(ss: pyrosetta.rosetta.core.io.silent.SilentStruct, is_terminus: pyrosetta.rosetta.utility.vector1_bool) -> pyrosetta.rosetta.utility.vector1_std_pair_unsigned_long_unsigned_long_t
get_loop_info_full(ss: pyrosetta.rosetta.core.io.silent.SilentStruct, is_terminus: pyrosetta.rosetta.utility.vector1_bool, mode: str) -> pyrosetta.rosetta.utility.vector1_std_pair_unsigned_long_unsigned_long_t

C++: protocols::mpi_refinement::get_loop_info_full(class std::shared_ptr<class core::io::silent::SilentStruct>, class utility::vector1<bool, class std::allocator<bool> > &, const std::string &) –> class utility::vector1<struct std::pair<unsigned long, unsigned long>, class std::allocator<struct std::pair<unsigned long, unsigned long> > >

pyrosetta.rosetta.protocols.mpi_refinement.get_touched_res(*args, **kwargs)¶

Overloaded function.

get_touched_res(pose: pyrosetta.rosetta.core.pose.Pose, loopres: pyrosetta.rosetta.utility.vector1_unsigned_long) -> pyrosetta.rosetta.utility.vector1_unsigned_long
get_touched_res(pose: pyrosetta.rosetta.core.pose.Pose, loopres: pyrosetta.rosetta.utility.vector1_unsigned_long, dist_cut: float) -> pyrosetta.rosetta.utility.vector1_unsigned_long

C++: protocols::mpi_refinement::get_touched_res(const class core::pose::Pose, const class utility::vector1<unsigned long, class std::allocator<unsigned long> >, double) –> class utility::vector1<unsigned long, class std::allocator<unsigned long> >

pyrosetta.rosetta.protocols.mpi_refinement.loopstring_to_loopregions(loopstr: str) → pyrosetta.rosetta.utility.vector1_utility_vector1_unsigned_long_std_allocator_unsigned_long_t¶: C++: protocols::mpi_refinement::loopstring_to_loopregions(const std::string &) –> class utility::vector1<class utility::vector1<unsigned long, class std::allocator<unsigned long> >, class std::allocator<class utility::vector1<unsigned long, class std::allocator<unsigned long> > > >

pyrosetta.rosetta.protocols.mpi_refinement.loopstring_to_loopvector(*args, **kwargs)¶

Overloaded function.

loopstring_to_loopvector(loopstr: str) -> pyrosetta.rosetta.utility.vector1_unsigned_long
loopstring_to_loopvector(loopstr: str, ext: int) -> pyrosetta.rosetta.utility.vector1_unsigned_long

C++: protocols::mpi_refinement::loopstring_to_loopvector(const std::string &, const unsigned long) –> class utility::vector1<unsigned long, class std::allocator<unsigned long> >

pyrosetta.rosetta.protocols.mpi_refinement.mean_and_stdev(values: pyrosetta.rosetta.utility.vector1_double, frac: float, shave_cut: float, mean: float, stdev: float) → None¶: C++: protocols::mpi_refinement::mean_and_stdev(class utility::vector1<double, class std::allocator<double> >, const double, double &, double &, double &) –> void

pyrosetta.rosetta.protocols.mpi_refinement.ramp_minpack_loop(*args, **kwargs)¶

Overloaded function.

ramp_minpack_loop(pose: pyrosetta.rosetta.core.pose.Pose, loopres: pyrosetta.rosetta.utility.vector1_unsigned_long, sfxn: pyrosetta.rosetta.core.scoring.ScoreFunction) -> None
ramp_minpack_loop(pose: pyrosetta.rosetta.core.pose.Pose, loopres: pyrosetta.rosetta.utility.vector1_unsigned_long, sfxn: pyrosetta.rosetta.core.scoring.ScoreFunction, nonideal: bool) -> None
ramp_minpack_loop(pose: pyrosetta.rosetta.core.pose.Pose, loopres: pyrosetta.rosetta.utility.vector1_unsigned_long, sfxn: pyrosetta.rosetta.core.scoring.ScoreFunction, nonideal: bool, ramp: bool) -> None
ramp_minpack_loop(pose: pyrosetta.rosetta.core.pose.Pose, loopres: pyrosetta.rosetta.utility.vector1_unsigned_long, sfxn: pyrosetta.rosetta.core.scoring.ScoreFunction, nonideal: bool, ramp: bool, efficient: bool) -> None
ramp_minpack_loop(pose: pyrosetta.rosetta.core.pose.Pose, loopres: pyrosetta.rosetta.utility.vector1_unsigned_long, sfxn: pyrosetta.rosetta.core.scoring.ScoreFunction, nonideal: bool, ramp: bool, efficient: bool, envmin: bool) -> None

C++: protocols::mpi_refinement::ramp_minpack_loop(class core::pose::Pose &, const class utility::vector1<unsigned long, class std::allocator<unsigned long> >, class std::shared_ptr<const class core::scoring::ScoreFunction>, const bool, const bool, const bool, const bool) –> void

pyrosetta.rosetta.protocols.mpi_refinement.ramp_minpack_pose(*args, **kwargs)¶

Overloaded function.

ramp_minpack_pose(pose: pyrosetta.rosetta.core.pose.Pose, sfxn: pyrosetta.rosetta.core.scoring.ScoreFunction) -> None
ramp_minpack_pose(pose: pyrosetta.rosetta.core.pose.Pose, sfxn: pyrosetta.rosetta.core.scoring.ScoreFunction, nonideal: bool) -> None
ramp_minpack_pose(pose: pyrosetta.rosetta.core.pose.Pose, sfxn: pyrosetta.rosetta.core.scoring.ScoreFunction, nonideal: bool, ramp: bool) -> None

C++: protocols::mpi_refinement::ramp_minpack_pose(class core::pose::Pose &, class std::shared_ptr<const class core::scoring::ScoreFunction>, const bool, const bool) –> void

pyrosetta.rosetta.protocols.mpi_refinement.read_ss2(ssfile: str) → pyrosetta.rosetta.std.map_unsigned_long_utility_vector1_double_std_allocator_double_t_std_allocator_std_pair_const_unsigned_long_utility_vector1_double_std_allocator_double_t¶: C++: protocols::mpi_refinement::read_ss2(std::string) –> class std::map<unsigned long, class utility::vector1<double, class std::allocator<double> >, struct std::less<unsigned long>, class std::allocator<struct std::pair<const unsigned long, class utility::vector1<double, class std::allocator<double> > > > >

pyrosetta.rosetta.protocols.mpi_refinement.setup_packer(pose: pyrosetta.rosetta.core.pose.Pose, mm: pyrosetta.rosetta.core.kinematics.MoveMap, sfxn: pyrosetta.rosetta.core.scoring.ScoreFunction) → pyrosetta.rosetta.protocols.minimization_packing.PackRotamersMover¶: C++: protocols::mpi_refinement::setup_packer(const class core::pose::Pose &, const class core::kinematics::MoveMap, class std::shared_ptr<const class core::scoring::ScoreFunction>) –> class std::shared_ptr<class protocols::minimization_packing::PackRotamersMover>

pyrosetta.rosetta.protocols.mpi_refinement.superimpose_all(*args, **kwargs)¶

Overloaded function.

superimpose_all(ss_ref: pyrosetta.rosetta.core.io.silent.SilentStruct, structs: pyrosetta.rosetta.protocols.wum.SilentStructStore) -> None
superimpose_all(ss_ref: pyrosetta.rosetta.core.io.silent.SilentStruct, structs: pyrosetta.rosetta.protocols.wum.SilentStructStore, columns_copy: pyrosetta.rosetta.utility.vector1_std_string) -> None

C++: protocols::mpi_refinement::superimpose_all(class std::shared_ptr<const class core::io::silent::SilentStruct>, class protocols::wum::SilentStructStore &, const class utility::vector1<std::string, class std::allocator<std::string > >) –> void