wum¶

Bindings for protocols::wum namespace

class pyrosetta.rosetta.protocols.wum.DatabaseEntryWorkUnit¶

Bases: WorkUnitBase

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.wum.DatabaseEntryWorkUnit, : pyrosetta.rosetta.protocols.wum.DatabaseEntryWorkUnit) → pyrosetta.rosetta.protocols.wum.DatabaseEntryWorkUnit¶: C++: protocols::wum::DatabaseEntryWorkUnit::operator=(const class protocols::wum::DatabaseEntryWorkUnit &) –> class protocols::wum::DatabaseEntryWorkUnit &

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

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

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

result_query_string(self: pyrosetta.rosetta.protocols.wum.DatabaseEntryWorkUnit) → str¶

Accessor for database query string

C++: protocols::wum::DatabaseEntryWorkUnit::result_query_string() –> std::string

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

Run the workunit - overloaded by children of this class

C++: protocols::wum::WorkUnitBase::run() –> 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.wum.MPI_WorkUnitManager¶

Bases: WorkUnitManager

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

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

class pyrosetta.rosetta.protocols.wum.MPI_WorkUnitManager_Slave¶

Bases: MPI_WorkUnitManager

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

go(self: pyrosetta.rosetta.protocols.wum.MPI_WorkUnitManager_Slave) → None¶: C++: protocols::wum::MPI_WorkUnitManager_Slave::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

class pyrosetta.rosetta.protocols.wum.MoverList¶

Bases: pybind11_object

get_mover(self: pyrosetta.rosetta.protocols.wum.MoverList, name: str) → pyrosetta.rosetta.protocols.moves.Mover¶: C++: protocols::wum::MoverList::get_mover(const std::string &) const –> class std::shared_ptr<const class protocols::moves::Mover>

register_mover(self: pyrosetta.rosetta.protocols.wum.MoverList, name: str, the_mover: pyrosetta.rosetta.protocols.moves.Mover) → None¶: C++: protocols::wum::MoverList::register_mover(const std::string &, class std::shared_ptr<const class protocols::moves::Mover>) –> void

class pyrosetta.rosetta.protocols.wum.SilentStructStore¶

Bases: pybind11_object

add(*args, **kwargs)¶

Overloaded function.

add(self: pyrosetta.rosetta.protocols.wum.SilentStructStore, pose: pyrosetta.rosetta.core.pose.Pose) -> None

add a pose

C++: protocols::wum::SilentStructStore::add(const class core::pose::Pose &) –> void

add(self: pyrosetta.rosetta.protocols.wum.SilentStructStore, new_struct: pyrosetta.rosetta.core.io.silent.SilentStruct) -> None

Add a core::io::silent::SilentStruct

C++: protocols::wum::SilentStructStore::add(class std::shared_ptr<class core::io::silent::SilentStruct>) –> void

add(self: pyrosetta.rosetta.protocols.wum.SilentStructStore, new_struct: pyrosetta.rosetta.core.io.silent.SilentStruct) -> None

Add a core::io::silent::SilentStruct

C++: protocols::wum::SilentStructStore::add(const class core::io::silent::SilentStruct &) –> void

add(self: pyrosetta.rosetta.protocols.wum.SilentStructStore, sfd: pyrosetta.rosetta.core.io.silent.SilentFileData) -> None

Add structures froma silent file data object

C++: protocols::wum::SilentStructStore::add(const class core::io::silent::SilentFileData &) –> void

add(self: pyrosetta.rosetta.protocols.wum.SilentStructStore, mergestore: pyrosetta.rosetta.protocols.wum.SilentStructStore) -> None

Add the contents of another SilentStructStore

C++: protocols::wum::SilentStructStore::add(class protocols::wum::SilentStructStore &) –> void

all_add_energy(*args, **kwargs)¶

Overloaded function.

all_add_energy(self: pyrosetta.rosetta.protocols.wum.SilentStructStore, scorename: str, value: float) -> None
all_add_energy(self: pyrosetta.rosetta.protocols.wum.SilentStructStore, scorename: str, value: float, weight: float) -> None

Manipulators:

C++: protocols::wum::SilentStructStore::all_add_energy(const std::string &, double, double) –> void

all_sort_silent_scores(self: pyrosetta.rosetta.protocols.wum.SilentStructStore) → None¶

Manipulators:

C++: protocols::wum::SilentStructStore::all_sort_silent_scores() –> void

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

clear(self: pyrosetta.rosetta.protocols.wum.SilentStructStore) → None¶

Remove all structures

C++: protocols::wum::SilentStructStore::clear() –> void

get_pose(self: pyrosetta.rosetta.protocols.wum.SilentStructStore, index: int, pose: pyrosetta.rosetta.core.pose.Pose) → None¶

Obtain a new pose from a given index. must provide a template pose though!

C++: protocols::wum::SilentStructStore::get_pose(unsigned long, class core::pose::Pose &) const –> void

get_struct(self: pyrosetta.rosetta.protocols.wum.SilentStructStore, index: int) → pyrosetta.rosetta.core.io.silent.SilentStruct¶

Get a structure with a certain index

C++: protocols::wum::SilentStructStore::get_struct(unsigned long) –> class std::shared_ptr<class core::io::silent::SilentStruct> &

get_struct_random(self: pyrosetta.rosetta.protocols.wum.SilentStructStore) → pyrosetta.rosetta.core.io.silent.SilentStruct¶

Get a random structure

C++: protocols::wum::SilentStructStore::get_struct_random() const –> class std::shared_ptr<const class core::io::silent::SilentStruct>

limit(self: pyrosetta.rosetta.protocols.wum.SilentStructStore, limit_size: int) → None¶: C++: protocols::wum::SilentStructStore::limit(unsigned long) –> void

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

Return memory usage

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

print(self: pyrosetta.rosetta.protocols.wum.SilentStructStore, out: pyrosetta.rosetta.std.ostream) → None¶

Print silent file

C++: protocols::wum::SilentStructStore::print(std::ostream &) const –> void

read_from_cmd_line(self: pyrosetta.rosetta.protocols.wum.SilentStructStore) → None¶

THis uses the pose stream to read in everything from -l, -s and -in:file:silent into this store.

C++: protocols::wum::SilentStructStore::read_from_cmd_line() –> void

read_from_file(self: pyrosetta.rosetta.protocols.wum.SilentStructStore, filename: str) → None¶

read from string

C++: protocols::wum::SilentStructStore::read_from_file(const std::string &) –> void

read_from_stream(self: pyrosetta.rosetta.protocols.wum.SilentStructStore, input: pyrosetta.rosetta.std.istream) → None¶

read from silent file

C++: protocols::wum::SilentStructStore::read_from_stream(std::istream &) –> void

read_from_string(self: pyrosetta.rosetta.protocols.wum.SilentStructStore, input: str) → None¶

read from string

C++: protocols::wum::SilentStructStore::read_from_string(const std::string &) –> void

serialize(*args, **kwargs)¶

Overloaded function.

serialize(self: pyrosetta.rosetta.protocols.wum.SilentStructStore, out: pyrosetta.rosetta.std.ostream) -> None

Print silent file

C++: protocols::wum::SilentStructStore::serialize(std::ostream &) const –> void

serialize(self: pyrosetta.rosetta.protocols.wum.SilentStructStore, out: str) -> None

Print silent file

C++: protocols::wum::SilentStructStore::serialize(std::string &) const –> void

serialize_to_file(self: pyrosetta.rosetta.protocols.wum.SilentStructStore, file: str) → None¶

Print silent file

C++: protocols::wum::SilentStructStore::serialize_to_file(const std::string &) const –> void

size(self: pyrosetta.rosetta.protocols.wum.SilentStructStore) → int¶

How many structures

C++: protocols::wum::SilentStructStore::size() –> unsigned long

sort_by(*args, **kwargs)¶

Overloaded function.

sort_by(self: pyrosetta.rosetta.protocols.wum.SilentStructStore) -> None
sort_by(self: pyrosetta.rosetta.protocols.wum.SilentStructStore, field: str) -> None

C++: protocols::wum::SilentStructStore::sort_by(const std::string &) –> void

store(self: pyrosetta.rosetta.protocols.wum.SilentStructStore) → pyrosetta.rosetta.std.vector_std_shared_ptr_core_io_silent_SilentStruct_t¶: C++: protocols::wum::SilentStructStore::store() –> class std::vector<class std::shared_ptr<class core::io::silent::SilentStruct>, class std::allocator<class std::shared_ptr<class core::io::silent::SilentStruct> > > &

class pyrosetta.rosetta.protocols.wum.WUM_MPI_TAGS¶

Bases: pybind11_object

Members:

WUM_MPI_REQUEST_WU

WUM_MPI_SEND_WU

WUM_MPI_DATA_BLOCK

WUM_MPI_SPINDOWN

WUM_MPI_end

WUM_MPI_DATA_BLOCK = <WUM_MPI_TAGS.WUM_MPI_DATA_BLOCK: 103>¶

WUM_MPI_REQUEST_WU = <WUM_MPI_TAGS.WUM_MPI_REQUEST_WU: 101>¶

WUM_MPI_SEND_WU = <WUM_MPI_TAGS.WUM_MPI_SEND_WU: 102>¶

WUM_MPI_SPINDOWN = <WUM_MPI_TAGS.WUM_MPI_SPINDOWN: 104>¶

WUM_MPI_end = <WUM_MPI_TAGS.WUM_MPI_end: 105>¶

property name¶

property value¶

class pyrosetta.rosetta.protocols.wum.WorkUnitBase¶

Bases: pybind11_object

The base class for all work units

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

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

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

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.wum.WorkUnitBase) → None¶

Run the workunit - overloaded by children of this class

C++: protocols::wum::WorkUnitBase::run() –> 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.wum.WorkUnitList¶

Bases: pybind11_object

WOrkUnitList is a store for WorkUnitCOPs. THe purpose of this class is to store all the possible WorkUnits that a protocol might need. When needed these are cloned and then used. THis class acts like a library of WorkUnit blueprints.

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

get_work_unit(*args, **kwargs)¶

Overloaded function.

get_work_unit(self: pyrosetta.rosetta.protocols.wum.WorkUnitList, name: str) -> pyrosetta.rosetta.protocols.wum.WorkUnitBase

Return a COP to a workunit with a given name. If multiple WUs were registered with the same name, the first is returned.

C++: protocols::wum::WorkUnitList::get_work_unit(const std::string &) const –> const class std::shared_ptr<const class protocols::wum::WorkUnitBase>

get_work_unit(self: pyrosetta.rosetta.protocols.wum.WorkUnitList, wu: pyrosetta.rosetta.protocols.wum.WorkUnitBase) -> pyrosetta.rosetta.protocols.wum.WorkUnitBase

Return an OP to a workunit with the same name as the one given as a parameter.

C++: protocols::wum::WorkUnitList::get_work_unit(const class protocols::wum::WorkUnitBase &) const –> const class std::shared_ptr<const class protocols::wum::WorkUnitBase>

get_work_unit_clone(*args, **kwargs)¶

Overloaded function.

get_work_unit_clone(self: pyrosetta.rosetta.protocols.wum.WorkUnitList, name: str) -> pyrosetta.rosetta.protocols.wum.WorkUnitBase

Return an OP to a workunit with a given name but clone it.

C++: protocols::wum::WorkUnitList::get_work_unit_clone(const std::string &) const –> const class std::shared_ptr<class protocols::wum::WorkUnitBase>

get_work_unit_clone(self: pyrosetta.rosetta.protocols.wum.WorkUnitList, wu: pyrosetta.rosetta.protocols.wum.WorkUnitBase) -> pyrosetta.rosetta.protocols.wum.WorkUnitBase

Return an OP to a workunit with the same name as the one given as a parameter, but as a clone

C++: protocols::wum::WorkUnitList::get_work_unit_clone(const class protocols::wum::WorkUnitBase &) const –> const class std::shared_ptr<class protocols::wum::WorkUnitBase>

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

register_work_unit(self: pyrosetta.rosetta.protocols.wum.WorkUnitList, name: str, the_work_unit: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → None¶

Add a WorkUnit to the list, each workunit must be named with a string that is used later to retrieve it !

C++: protocols::wum::WorkUnitList::register_work_unit(const std::string &, class std::shared_ptr<class protocols::wum::WorkUnitBase>) –> void

class pyrosetta.rosetta.protocols.wum.WorkUnitManager¶

Bases: pybind11_object

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

go(self: pyrosetta.rosetta.protocols.wum.WorkUnitManager) → None¶: C++: protocols::wum::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

class pyrosetta.rosetta.protocols.wum.WorkUnitQueue¶

Bases: pybind11_object

add(self: pyrosetta.rosetta.protocols.wum.WorkUnitQueue, new_wu: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → None¶: C++: protocols::wum::WorkUnitQueue::add(class std::shared_ptr<class protocols::wum::WorkUnitBase>) –> void

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

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

is_under_memory_limit(self: pyrosetta.rosetta.protocols.wum.WorkUnitQueue) → bool¶: C++: protocols::wum::WorkUnitQueue::is_under_memory_limit() const –> bool

mem_foot_print(self: pyrosetta.rosetta.protocols.wum.WorkUnitQueue) → int¶

return total memory foot print in bytes

C++: protocols::wum::WorkUnitQueue::mem_foot_print() const –> unsigned long

mem_stats(self: pyrosetta.rosetta.protocols.wum.WorkUnitQueue, n_structs: int, structs_memory: int, WU_memory: int) → None¶

report number of total structures, and memory foot prints

C++: protocols::wum::WorkUnitQueue::mem_stats(unsigned long &, unsigned long &, unsigned long &) const –> void

next(self: pyrosetta.rosetta.protocols.wum.WorkUnitQueue) → pyrosetta.rosetta.protocols.wum.WorkUnitBase¶: C++: protocols::wum::WorkUnitQueue::next() –> class std::shared_ptr<class protocols::wum::WorkUnitBase> &

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

push_back(self: pyrosetta.rosetta.protocols.wum.WorkUnitQueue, new_wu: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → None¶: C++: protocols::wum::WorkUnitQueue::push_back(class std::shared_ptr<class protocols::wum::WorkUnitBase>) –> void

push_front(self: pyrosetta.rosetta.protocols.wum.WorkUnitQueue, new_wu: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → None¶: C++: protocols::wum::WorkUnitQueue::push_front(class std::shared_ptr<class protocols::wum::WorkUnitBase>) –> void

set_memory_limit(self: pyrosetta.rosetta.protocols.wum.WorkUnitQueue, memory_limit: int) → None¶: C++: protocols::wum::WorkUnitQueue::set_memory_limit(unsigned long) –> void

size(self: pyrosetta.rosetta.protocols.wum.WorkUnitQueue) → int¶: C++: protocols::wum::WorkUnitQueue::size() const –> unsigned long

class pyrosetta.rosetta.protocols.wum.WorkUnitQueue_Swapped¶

Bases: WorkUnitQueue

add(self: pyrosetta.rosetta.protocols.wum.WorkUnitQueue_Swapped, new_wu: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → None¶: C++: protocols::wum::WorkUnitQueue_Swapped::add(class std::shared_ptr<class protocols::wum::WorkUnitBase>) –> void

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

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

is_under_memory_limit(self: pyrosetta.rosetta.protocols.wum.WorkUnitQueue) → bool¶: C++: protocols::wum::WorkUnitQueue::is_under_memory_limit() const –> bool

mem_foot_print(self: pyrosetta.rosetta.protocols.wum.WorkUnitQueue) → int¶

return total memory foot print in bytes

C++: protocols::wum::WorkUnitQueue::mem_foot_print() const –> unsigned long

mem_stats(self: pyrosetta.rosetta.protocols.wum.WorkUnitQueue, n_structs: int, structs_memory: int, WU_memory: int) → None¶

report number of total structures, and memory foot prints

C++: protocols::wum::WorkUnitQueue::mem_stats(unsigned long &, unsigned long &, unsigned long &) const –> void

next(self: pyrosetta.rosetta.protocols.wum.WorkUnitQueue) → pyrosetta.rosetta.protocols.wum.WorkUnitBase¶: C++: protocols::wum::WorkUnitQueue::next() –> class std::shared_ptr<class protocols::wum::WorkUnitBase> &

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

push_back(self: pyrosetta.rosetta.protocols.wum.WorkUnitQueue, new_wu: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → None¶: C++: protocols::wum::WorkUnitQueue::push_back(class std::shared_ptr<class protocols::wum::WorkUnitBase>) –> void

push_front(self: pyrosetta.rosetta.protocols.wum.WorkUnitQueue, new_wu: pyrosetta.rosetta.protocols.wum.WorkUnitBase) → None¶: C++: protocols::wum::WorkUnitQueue::push_front(class std::shared_ptr<class protocols::wum::WorkUnitBase>) –> void

set_memory_limit(self: pyrosetta.rosetta.protocols.wum.WorkUnitQueue, memory_limit: int) → None¶: C++: protocols::wum::WorkUnitQueue::set_memory_limit(unsigned long) –> void

size(self: pyrosetta.rosetta.protocols.wum.WorkUnitQueue) → int¶: C++: protocols::wum::WorkUnitQueue::size() const –> unsigned long

swap_file(self: pyrosetta.rosetta.protocols.wum.WorkUnitQueue_Swapped) → str¶: C++: protocols::wum::WorkUnitQueue_Swapped::swap_file() const –> const std::string &

class pyrosetta.rosetta.protocols.wum.WorkUnit_MoverWrapper¶

Bases: WorkUnit_SilentStructStore

This WorkUnit type can encapsulate any MoverOP. When registering this WOrkunit provide it with a MoverOP and then, when executed on the slaves, this workunit will run the mover On every single input structure and return the results.

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.wum.WorkUnit_MoverWrapper, : pyrosetta.rosetta.protocols.wum.WorkUnit_MoverWrapper) → pyrosetta.rosetta.protocols.wum.WorkUnit_MoverWrapper¶: C++: protocols::wum::WorkUnit_MoverWrapper::operator=(const class protocols::wum::WorkUnit_MoverWrapper &) –> class protocols::wum::WorkUnit_MoverWrapper &

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_MoverWrapper) → pyrosetta.rosetta.protocols.wum.WorkUnitBase¶: C++: protocols::wum::WorkUnit_MoverWrapper::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

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.wum.WorkUnit_MoverWrapper) → None¶: C++: protocols::wum::WorkUnit_MoverWrapper::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.wum.WorkUnit_SilentStructStore¶

Bases: WorkUnitBase

This WorkUnit type has structures in it. Most Workunits should derive from this one rather THe the Base class.

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.wum.WorkUnit_SilentStructStore, : pyrosetta.rosetta.protocols.wum.WorkUnit_SilentStructStore) → pyrosetta.rosetta.protocols.wum.WorkUnit_SilentStructStore¶: C++: protocols::wum::WorkUnit_SilentStructStore::operator=(const class protocols::wum::WorkUnit_SilentStructStore &) –> class protocols::wum::WorkUnit_SilentStructStore &

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

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.wum.WorkUnit_SilentStructStore) → None¶

This Work unit doesnt do anything - its just keeps the structures

C++: protocols::wum::WorkUnit_SilentStructStore::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.wum.WorkUnit_Wait¶

Bases: WorkUnitBase

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.wum.WorkUnit_Wait, : pyrosetta.rosetta.protocols.wum.WorkUnit_Wait) → pyrosetta.rosetta.protocols.wum.WorkUnit_Wait¶: C++: protocols::wum::WorkUnit_Wait::operator=(const class protocols::wum::WorkUnit_Wait &) –> class protocols::wum::WorkUnit_Wait &

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

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

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.wum.WorkUnit_Wait) → None¶: C++: protocols::wum::WorkUnit_Wait::run() –> 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.wum.find_SilentStructOPs¶

Bases: pybind11_object

this little class is a predicate for finding silent structures in say a vector of silent structures

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

pyrosetta.rosetta.protocols.wum.generate_unique_structure_id() → str¶: C++: protocols::wum::generate_unique_structure_id() –> std::string

pyrosetta.rosetta.protocols.wum.get_time() → float¶

Get a time in seconds. If MPI is enabled you’ll get an accuracy of microsecs

C++: protocols::wum::get_time() –> double

pyrosetta.rosetta.protocols.wum.mpi_npes() → int¶

Helper function - returns total number of nodes

C++: protocols::wum::mpi_npes() –> int

pyrosetta.rosetta.protocols.wum.mpi_rank() → int¶

Helper function - returns rank of the current node.

C++: protocols::wum::mpi_rank() –> int