pack_daemon¶
Bindings for protocols::pack_daemon namespace
- class pyrosetta.rosetta.protocols.pack_daemon.BasicSimAnnealerRepacker¶
Bases:
QuickRepacker
- assign(self: pyrosetta.rosetta.protocols.pack_daemon.BasicSimAnnealerRepacker, : pyrosetta.rosetta.protocols.pack_daemon.BasicSimAnnealerRepacker) pyrosetta.rosetta.protocols.pack_daemon.BasicSimAnnealerRepacker ¶
C++: protocols::pack_daemon::BasicSimAnnealerRepacker::operator=(const class protocols::pack_daemon::BasicSimAnnealerRepacker &) –> class protocols::pack_daemon::BasicSimAnnealerRepacker &
- repack(self: pyrosetta.rosetta.protocols.pack_daemon.BasicSimAnnealerRepacker, rot_to_pack: pyrosetta.rosetta.utility.vector0_int) Tuple[pyrosetta.rosetta.utility.vector1_int, float] ¶
C++: protocols::pack_daemon::BasicSimAnnealerRepacker::repack(const class utility::vector0<int, class std::allocator<int> > &) –> struct std::pair<class utility::vector1<int, class std::allocator<int> >, double>
- class pyrosetta.rosetta.protocols.pack_daemon.DaemonSet¶
Bases:
pybind11_object
- activate_daemon_mode(self: pyrosetta.rosetta.protocols.pack_daemon.DaemonSet) None ¶
- receive and respond to remote repacking requests from node 0 until
a spin-down signal is broadcast. This function does not return until all MPI requests have completed.
C++: protocols::pack_daemon::DaemonSet::activate_daemon_mode() –> void
- add_npd_property_calculator_for_state(self: pyrosetta.rosetta.protocols.pack_daemon.DaemonSet, daemon_index: int, npd_property: str, npd_index: int) None ¶
C++: protocols::pack_daemon::DaemonSet::add_npd_property_calculator_for_state(unsigned long, const std::string &, unsigned long) –> void
- add_npdpro_calculator_creator(self: pyrosetta.rosetta.protocols.pack_daemon.DaemonSet, : protocols::pack_daemon::NPDPropCalculatorCreator) None ¶
C++: protocols::pack_daemon::DaemonSet::add_npdpro_calculator_creator(class std::shared_ptr<class protocols::pack_daemon::NPDPropCalculatorCreator>) –> void
- add_pack_daemon(*args, **kwargs)¶
Overloaded function.
add_pack_daemon(self: pyrosetta.rosetta.protocols.pack_daemon.DaemonSet, daemon_index: int, pdb_name: str, correspondence_file_name: str, secondary_resfile: str) -> None
- Each daemon is associated with an index representing its position in
some master list somewhere. The DaemonSet is responsible for keeping this index.
C++: protocols::pack_daemon::DaemonSet::add_pack_daemon(unsigned long, const std::string &, const std::string &, const std::string &) –> void
add_pack_daemon(self: pyrosetta.rosetta.protocols.pack_daemon.DaemonSet, daemon_index: int, pose_file_name: str, pose: pyrosetta.rosetta.core.pose.Pose, correspondence_file_filename: str, correspondence_file: pyrosetta.rosetta.std.istream, secondary_refile_file_filename: str, secondary_resfile: pyrosetta.rosetta.std.istream) -> None
C++: protocols::pack_daemon::DaemonSet::add_pack_daemon(unsigned long, const std::string &, const class core::pose::Pose &, const std::string &, std::istream &, const std::string &, std::istream &) –> void
- assign(self: pyrosetta.rosetta.protocols.pack_daemon.DaemonSet, : pyrosetta.rosetta.protocols.pack_daemon.DaemonSet) pyrosetta.rosetta.protocols.pack_daemon.DaemonSet ¶
C++: protocols::pack_daemon::DaemonSet::operator=(const class protocols::pack_daemon::DaemonSet &) –> class protocols::pack_daemon::DaemonSet &
- compute_energy_for_assignment(self: pyrosetta.rosetta.protocols.pack_daemon.DaemonSet, entity: pyrosetta.rosetta.protocols.genetic_algorithm.Entity) Tuple[pyrosetta.rosetta.std.list_std_pair_unsigned_long_double_t, pyrosetta.rosetta.std.list_std_pair_unsigned_long_double_t] ¶
- Compute the state energies and, for those states requiring non-pairwise-decomposable-properties,
the non-pairwise decomposable properties as well. Return them as a pair of lists.
C++: protocols::pack_daemon::DaemonSet::compute_energy_for_assignment(const class protocols::genetic_algorithm::Entity &) –> struct std::pair<class std::list<struct std::pair<unsigned long, double>, class std::allocator<struct std::pair<unsigned long, double> > >, class std::list<struct std::pair<unsigned long, double>, class std::allocator<struct std::pair<unsigned long, double> > > >
- daemons(self: pyrosetta.rosetta.protocols.pack_daemon.DaemonSet) pyrosetta.rosetta.utility.vector1_std_pair_unsigned_long_std_shared_ptr_const_protocols_pack_daemon_PackDaemon_t ¶
C++: protocols::pack_daemon::DaemonSet::daemons() const –> class utility::vector1<struct std::pair<unsigned long, class std::shared_ptr<const class protocols::pack_daemon::PackDaemon> >, class std::allocator<struct std::pair<unsigned long, class std::shared_ptr<const class protocols::pack_daemon::PackDaemon> > > >
- entity_resfile(self: pyrosetta.rosetta.protocols.pack_daemon.DaemonSet) pyrosetta.rosetta.core.pack.task.ResfileContents ¶
C++: protocols::pack_daemon::DaemonSet::entity_resfile() const –> class std::shared_ptr<const class core::pack::task::ResfileContents>
- entity_task(self: pyrosetta.rosetta.protocols.pack_daemon.DaemonSet) pyrosetta.rosetta.core.pack.task.PackerTask ¶
C++: protocols::pack_daemon::DaemonSet::entity_task() const –> class std::shared_ptr<class core::pack::task::PackerTask>
- mark_entity_as_unimportant(self: pyrosetta.rosetta.protocols.pack_daemon.DaemonSet, : pyrosetta.rosetta.protocols.genetic_algorithm.Entity) None ¶
C++: protocols::pack_daemon::DaemonSet::mark_entity_as_unimportant(const class protocols::genetic_algorithm::Entity &) –> void
- mark_last_entity_as_important(self: pyrosetta.rosetta.protocols.pack_daemon.DaemonSet) None ¶
C++: protocols::pack_daemon::DaemonSet::mark_last_entity_as_important() –> void
- n_npd_properties(self: pyrosetta.rosetta.protocols.pack_daemon.DaemonSet) int ¶
C++: protocols::pack_daemon::DaemonSet::n_npd_properties() const –> unsigned long
- ndaemons(self: pyrosetta.rosetta.protocols.pack_daemon.DaemonSet) int ¶
C++: protocols::pack_daemon::DaemonSet::ndaemons() const –> unsigned long
- set_dlig_nmeg_limit(self: pyrosetta.rosetta.protocols.pack_daemon.DaemonSet, setting: int) None ¶
- restrict the amount of memory spent on storing Rotamer Pair Energies in the
DoubleLazyInteractionGraph;
C++: protocols::pack_daemon::DaemonSet::set_dlig_nmeg_limit(unsigned long) –> void
- set_entity_resfile(*args, **kwargs)¶
Overloaded function.
set_entity_resfile(self: pyrosetta.rosetta.protocols.pack_daemon.DaemonSet, resfile: str) -> None
C++: protocols::pack_daemon::DaemonSet::set_entity_resfile(const std::string &) –> void
set_entity_resfile(self: pyrosetta.rosetta.protocols.pack_daemon.DaemonSet, resfile: pyrosetta.rosetta.std.istream, resfile_name: str) -> None
C++: protocols::pack_daemon::DaemonSet::set_entity_resfile(std::istream &, const std::string &) –> void
- set_include_background_energies(self: pyrosetta.rosetta.protocols.pack_daemon.DaemonSet, setting: bool) None ¶
C++: protocols::pack_daemon::DaemonSet::set_include_background_energies(bool) –> void
- set_score_function(self: pyrosetta.rosetta.protocols.pack_daemon.DaemonSet, : pyrosetta.rosetta.core.scoring.ScoreFunction) None ¶
C++: protocols::pack_daemon::DaemonSet::set_score_function(const class core::scoring::ScoreFunction &) –> void
- set_task_factory(self: pyrosetta.rosetta.protocols.pack_daemon.DaemonSet, factory: pyrosetta.rosetta.core.pack.task.TaskFactory) None ¶
C++: protocols::pack_daemon::DaemonSet::set_task_factory(class std::shared_ptr<class core::pack::task::TaskFactory>) –> void
- setup_daemons(self: pyrosetta.rosetta.protocols.pack_daemon.DaemonSet) None ¶
- call daemon->setup() on all daemons, which will trigger the
precomputation of all rotamer pair energies.
C++: protocols::pack_daemon::DaemonSet::setup_daemons() –> void
- class pyrosetta.rosetta.protocols.pack_daemon.DaemonSetMessage¶
Bases:
pybind11_object
Members:
error_message
success_message
add_daemon
evaluate_entity
keep_rotamer_assignment_for_last_entity
discard_old_entity
geneate_pose_from_old_state
spin_down
n_daemon_set_messages
- add_daemon = <DaemonSetMessage.add_daemon: 2>¶
- discard_old_entity = <DaemonSetMessage.discard_old_entity: 5>¶
- error_message = <DaemonSetMessage.error_message: 0>¶
- evaluate_entity = <DaemonSetMessage.evaluate_entity: 3>¶
- geneate_pose_from_old_state = <DaemonSetMessage.geneate_pose_from_old_state: 6>¶
- keep_rotamer_assignment_for_last_entity = <DaemonSetMessage.keep_rotamer_assignment_for_last_entity: 4>¶
- n_daemon_set_messages = <DaemonSetMessage.n_daemon_set_messages: 8>¶
- property name¶
- spin_down = <DaemonSetMessage.spin_down: 7>¶
- success_message = <DaemonSetMessage.success_message: 1>¶
- property value¶
- class pyrosetta.rosetta.protocols.pack_daemon.DenseIGRepacker¶
Bases:
RotamerSubsetRepacker
- assign(self: pyrosetta.rosetta.protocols.pack_daemon.DenseIGRepacker, : pyrosetta.rosetta.protocols.pack_daemon.DenseIGRepacker) pyrosetta.rosetta.protocols.pack_daemon.DenseIGRepacker ¶
C++: protocols::pack_daemon::DenseIGRepacker::operator=(const class protocols::pack_daemon::DenseIGRepacker &) –> class protocols::pack_daemon::DenseIGRepacker &
- create_dense_pdig_from_rot_to_pack(self: pyrosetta.rosetta.protocols.pack_daemon.DenseIGRepacker, rot_to_pack: pyrosetta.rosetta.utility.vector0_int, rot_subsets: pyrosetta.rosetta.core.pack.rotamer_set.RotamerSubsets) pyrosetta.rosetta.core.pack.interaction_graph.DensePDInteractionGraph ¶
C++: protocols::pack_daemon::DenseIGRepacker::create_dense_pdig_from_rot_to_pack(const class utility::vector0<int, class std::allocator<int> > &, class std::shared_ptr<class core::pack::rotamer_set::RotamerSubsets>) –> class std::shared_ptr<class core::pack::interaction_graph::DensePDInteractionGraph>
- create_rotamer_subsets_from_rot_to_pack(self: pyrosetta.rosetta.protocols.pack_daemon.RotamerSubsetRepacker, rot_to_pack: pyrosetta.rosetta.utility.vector0_int) pyrosetta.rosetta.core.pack.rotamer_set.RotamerSubsets ¶
C++: protocols::pack_daemon::RotamerSubsetRepacker::create_rotamer_subsets_from_rot_to_pack(const class utility::vector0<int, class std::allocator<int> > &) –> class std::shared_ptr<class core::pack::rotamer_set::RotamerSubsets>
- repack(self: pyrosetta.rosetta.protocols.pack_daemon.DenseIGRepacker, rot_to_pack: pyrosetta.rosetta.utility.vector0_int) Tuple[pyrosetta.rosetta.utility.vector1_int, float] ¶
C++: protocols::pack_daemon::DenseIGRepacker::repack(const class utility::vector0<int, class std::allocator<int> > &) –> struct std::pair<class utility::vector1<int, class std::allocator<int> >, double>
- set_MCA(self: pyrosetta.rosetta.protocols.pack_daemon.DenseIGRepacker) None ¶
C++: protocols::pack_daemon::DenseIGRepacker::set_MCA() –> void
- class pyrosetta.rosetta.protocols.pack_daemon.DoubleDenseIGRepacker¶
Bases:
RotamerSubsetRepacker
- assign(self: pyrosetta.rosetta.protocols.pack_daemon.DoubleDenseIGRepacker, : pyrosetta.rosetta.protocols.pack_daemon.DoubleDenseIGRepacker) pyrosetta.rosetta.protocols.pack_daemon.DoubleDenseIGRepacker ¶
C++: protocols::pack_daemon::DoubleDenseIGRepacker::operator=(const class protocols::pack_daemon::DoubleDenseIGRepacker &) –> class protocols::pack_daemon::DoubleDenseIGRepacker &
- create_dense_pdig_from_rot_to_pack(self: pyrosetta.rosetta.protocols.pack_daemon.DoubleDenseIGRepacker, rot_to_pack: pyrosetta.rosetta.utility.vector0_int, rot_subsets: pyrosetta.rosetta.core.pack.rotamer_set.RotamerSubsets) pyrosetta.rosetta.core.pack.interaction_graph.DoubleDensePDInteractionGraph ¶
C++: protocols::pack_daemon::DoubleDenseIGRepacker::create_dense_pdig_from_rot_to_pack(const class utility::vector0<int, class std::allocator<int> > &, class std::shared_ptr<class core::pack::rotamer_set::RotamerSubsets>) –> class std::shared_ptr<class core::pack::interaction_graph::DoubleDensePDInteractionGraph>
- create_rotamer_subsets_from_rot_to_pack(self: pyrosetta.rosetta.protocols.pack_daemon.RotamerSubsetRepacker, rot_to_pack: pyrosetta.rosetta.utility.vector0_int) pyrosetta.rosetta.core.pack.rotamer_set.RotamerSubsets ¶
C++: protocols::pack_daemon::RotamerSubsetRepacker::create_rotamer_subsets_from_rot_to_pack(const class utility::vector0<int, class std::allocator<int> > &) –> class std::shared_ptr<class core::pack::rotamer_set::RotamerSubsets>
- repack(self: pyrosetta.rosetta.protocols.pack_daemon.DoubleDenseIGRepacker, rot_to_pack: pyrosetta.rosetta.utility.vector0_int) Tuple[pyrosetta.rosetta.utility.vector1_int, float] ¶
C++: protocols::pack_daemon::DoubleDenseIGRepacker::repack(const class utility::vector0<int, class std::allocator<int> > &) –> struct std::pair<class utility::vector1<int, class std::allocator<int> >, double>
- class pyrosetta.rosetta.protocols.pack_daemon.DynamicAggregateFunction¶
Bases:
MultistateAggregateFunction
- add_file_contents(self: pyrosetta.rosetta.protocols.pack_daemon.DynamicAggregateFunction, fname: str, contents: str) None ¶
- Pair a file name with a string – instead of opening a file
when asked to read this file, the DAF will use the contents of the file as provided. Useful for testing purposes.
C++: protocols::pack_daemon::DynamicAggregateFunction::add_file_contents(const std::string &, const std::string &) –> void
- assign(self: pyrosetta.rosetta.protocols.pack_daemon.DynamicAggregateFunction, : pyrosetta.rosetta.protocols.pack_daemon.DynamicAggregateFunction) pyrosetta.rosetta.protocols.pack_daemon.DynamicAggregateFunction ¶
C++: protocols::pack_daemon::DynamicAggregateFunction::operator=(const class protocols::pack_daemon::DynamicAggregateFunction &) –> class protocols::pack_daemon::DynamicAggregateFunction &
- evaluate(self: pyrosetta.rosetta.protocols.pack_daemon.DynamicAggregateFunction, : pyrosetta.rosetta.utility.vector1_double, npd_properties: pyrosetta.rosetta.utility.vector1_double, : pyrosetta.rosetta.protocols.genetic_algorithm.Entity) float ¶
C++: protocols::pack_daemon::DynamicAggregateFunction::evaluate(const class utility::vector1<double, class std::allocator<double> > &, const class utility::vector1<double, class std::allocator<double> > &, const class protocols::genetic_algorithm::Entity &) –> double
- file_inputs_for_job(self: pyrosetta.rosetta.protocols.pack_daemon.DynamicAggregateFunction, job_index: int) pyrosetta.rosetta.protocols.pack_daemon.StructureFileNames ¶
C++: protocols::pack_daemon::DynamicAggregateFunction::file_inputs_for_job(int) const –> const class protocols::pack_daemon::StructureFileNames &
- function_expression(self: pyrosetta.rosetta.protocols.pack_daemon.DynamicAggregateFunction, function: pyrosetta.rosetta.numeric.expression_parser.FunctionToken, args: pyrosetta.rosetta.utility.vector1_std_shared_ptr_const_numeric_expression_parser_Expression_t) pyrosetta.rosetta.numeric.expression_parser.Expression ¶
C++: protocols::pack_daemon::DynamicAggregateFunction::function_expression(class std::shared_ptr<const class numeric::expression_parser::FunctionToken>, const class utility::vector1<class std::shared_ptr<const class numeric::expression_parser::Expression>, class std::allocator<class std::shared_ptr<const class numeric::expression_parser::Expression> > > &) const –> class std::shared_ptr<const class numeric::expression_parser::Expression>
- num_npd_properties(self: pyrosetta.rosetta.protocols.pack_daemon.DynamicAggregateFunction) int ¶
C++: protocols::pack_daemon::DynamicAggregateFunction::num_npd_properties() const –> unsigned long
- num_npd_properties_for_state(self: pyrosetta.rosetta.protocols.pack_daemon.DynamicAggregateFunction, state_id: int) int ¶
C++: protocols::pack_daemon::DynamicAggregateFunction::num_npd_properties_for_state(unsigned long) const –> unsigned long
- num_states(self: pyrosetta.rosetta.protocols.pack_daemon.DynamicAggregateFunction) int ¶
C++: protocols::pack_daemon::DynamicAggregateFunction::num_states() const –> unsigned long
- read_all_variables_from_input_file(self: pyrosetta.rosetta.protocols.pack_daemon.DynamicAggregateFunction, input: pyrosetta.rosetta.std.istream) None ¶
- Initialize from an input stream without trying to communicate with
remote nodes
C++: protocols::pack_daemon::DynamicAggregateFunction::read_all_variables_from_input_file(std::istream &) –> void
- select_relevant_states(self: pyrosetta.rosetta.protocols.pack_daemon.DynamicAggregateFunction, en: pyrosetta.rosetta.utility.vector1_double, npd: pyrosetta.rosetta.utility.vector1_double, : pyrosetta.rosetta.protocols.genetic_algorithm.Entity) pyrosetta.rosetta.utility.vector1_unsigned_long ¶
C++: protocols::pack_daemon::DynamicAggregateFunction::select_relevant_states(const class utility::vector1<double, class std::allocator<double> > &, const class utility::vector1<double, class std::allocator<double> > &, const class protocols::genetic_algorithm::Entity &) –> class utility::vector1<unsigned long, class std::allocator<unsigned long> >
- set_num_entity_elements(self: pyrosetta.rosetta.protocols.pack_daemon.DynamicAggregateFunction, setting: int) None ¶
C++: protocols::pack_daemon::DynamicAggregateFunction::set_num_entity_elements(unsigned long) –> void
- set_score_function(self: pyrosetta.rosetta.protocols.pack_daemon.DynamicAggregateFunction, sfxn: pyrosetta.rosetta.core.scoring.ScoreFunction) None ¶
C++: protocols::pack_daemon::DynamicAggregateFunction::set_score_function(const class core::scoring::ScoreFunction &) –> void
- state_name(self: pyrosetta.rosetta.protocols.pack_daemon.DynamicAggregateFunction, state_index: int) str ¶
C++: protocols::pack_daemon::DynamicAggregateFunction::state_name(unsigned long) const –> std::string
- variable_expression(self: pyrosetta.rosetta.protocols.pack_daemon.DynamicAggregateFunction, : pyrosetta.rosetta.numeric.expression_parser.ArithmeticASTValue) pyrosetta.rosetta.numeric.expression_parser.Expression ¶
C++: protocols::pack_daemon::DynamicAggregateFunction::variable_expression(const class numeric::expression_parser::ArithmeticASTValue &) const –> class std::shared_ptr<const class numeric::expression_parser::Expression>
- class pyrosetta.rosetta.protocols.pack_daemon.DynamicAggregateFunctionDriver¶
Bases:
DynamicAggregateFunction
- add_file_contents(self: pyrosetta.rosetta.protocols.pack_daemon.DynamicAggregateFunction, fname: str, contents: str) None ¶
- Pair a file name with a string – instead of opening a file
when asked to read this file, the DAF will use the contents of the file as provided. Useful for testing purposes.
C++: protocols::pack_daemon::DynamicAggregateFunction::add_file_contents(const std::string &, const std::string &) –> void
- assign(self: pyrosetta.rosetta.protocols.pack_daemon.DynamicAggregateFunctionDriver, : pyrosetta.rosetta.protocols.pack_daemon.DynamicAggregateFunctionDriver) pyrosetta.rosetta.protocols.pack_daemon.DynamicAggregateFunctionDriver ¶
C++: protocols::pack_daemon::DynamicAggregateFunctionDriver::operator=(const class protocols::pack_daemon::DynamicAggregateFunctionDriver &) –> class protocols::pack_daemon::DynamicAggregateFunctionDriver &
- evaluate(self: pyrosetta.rosetta.protocols.pack_daemon.DynamicAggregateFunction, : pyrosetta.rosetta.utility.vector1_double, npd_properties: pyrosetta.rosetta.utility.vector1_double, : pyrosetta.rosetta.protocols.genetic_algorithm.Entity) float ¶
C++: protocols::pack_daemon::DynamicAggregateFunction::evaluate(const class utility::vector1<double, class std::allocator<double> > &, const class utility::vector1<double, class std::allocator<double> > &, const class protocols::genetic_algorithm::Entity &) –> double
- file_inputs_for_job(self: pyrosetta.rosetta.protocols.pack_daemon.DynamicAggregateFunction, job_index: int) pyrosetta.rosetta.protocols.pack_daemon.StructureFileNames ¶
C++: protocols::pack_daemon::DynamicAggregateFunction::file_inputs_for_job(int) const –> const class protocols::pack_daemon::StructureFileNames &
- function_expression(self: pyrosetta.rosetta.protocols.pack_daemon.DynamicAggregateFunction, function: pyrosetta.rosetta.numeric.expression_parser.FunctionToken, args: pyrosetta.rosetta.utility.vector1_std_shared_ptr_const_numeric_expression_parser_Expression_t) pyrosetta.rosetta.numeric.expression_parser.Expression ¶
C++: protocols::pack_daemon::DynamicAggregateFunction::function_expression(class std::shared_ptr<const class numeric::expression_parser::FunctionToken>, const class utility::vector1<class std::shared_ptr<const class numeric::expression_parser::Expression>, class std::allocator<class std::shared_ptr<const class numeric::expression_parser::Expression> > > &) const –> class std::shared_ptr<const class numeric::expression_parser::Expression>
- initialize_from_input_file(self: pyrosetta.rosetta.protocols.pack_daemon.DynamicAggregateFunctionDriver, daemon_set: protocols::pack_daemon::DaemonSet, input: pyrosetta.rosetta.std.istream) None ¶
C++: protocols::pack_daemon::DynamicAggregateFunctionDriver::initialize_from_input_file(class std::shared_ptr<class protocols::pack_daemon::DaemonSet>, std::istream &) –> void
- num_npd_properties(self: pyrosetta.rosetta.protocols.pack_daemon.DynamicAggregateFunction) int ¶
C++: protocols::pack_daemon::DynamicAggregateFunction::num_npd_properties() const –> unsigned long
- num_npd_properties_for_state(self: pyrosetta.rosetta.protocols.pack_daemon.DynamicAggregateFunction, state_id: int) int ¶
C++: protocols::pack_daemon::DynamicAggregateFunction::num_npd_properties_for_state(unsigned long) const –> unsigned long
- num_states(self: pyrosetta.rosetta.protocols.pack_daemon.DynamicAggregateFunction) int ¶
C++: protocols::pack_daemon::DynamicAggregateFunction::num_states() const –> unsigned long
- read_all_variables_from_input_file(self: pyrosetta.rosetta.protocols.pack_daemon.DynamicAggregateFunction, input: pyrosetta.rosetta.std.istream) None ¶
- Initialize from an input stream without trying to communicate with
remote nodes
C++: protocols::pack_daemon::DynamicAggregateFunction::read_all_variables_from_input_file(std::istream &) –> void
- select_relevant_states(self: pyrosetta.rosetta.protocols.pack_daemon.DynamicAggregateFunction, en: pyrosetta.rosetta.utility.vector1_double, npd: pyrosetta.rosetta.utility.vector1_double, : pyrosetta.rosetta.protocols.genetic_algorithm.Entity) pyrosetta.rosetta.utility.vector1_unsigned_long ¶
C++: protocols::pack_daemon::DynamicAggregateFunction::select_relevant_states(const class utility::vector1<double, class std::allocator<double> > &, const class utility::vector1<double, class std::allocator<double> > &, const class protocols::genetic_algorithm::Entity &) –> class utility::vector1<unsigned long, class std::allocator<unsigned long> >
- set_num_entity_elements(self: pyrosetta.rosetta.protocols.pack_daemon.DynamicAggregateFunction, setting: int) None ¶
C++: protocols::pack_daemon::DynamicAggregateFunction::set_num_entity_elements(unsigned long) –> void
- set_score_function(self: pyrosetta.rosetta.protocols.pack_daemon.DynamicAggregateFunction, sfxn: pyrosetta.rosetta.core.scoring.ScoreFunction) None ¶
C++: protocols::pack_daemon::DynamicAggregateFunction::set_score_function(const class core::scoring::ScoreFunction &) –> void
- state_name(self: pyrosetta.rosetta.protocols.pack_daemon.DynamicAggregateFunction, state_index: int) str ¶
C++: protocols::pack_daemon::DynamicAggregateFunction::state_name(unsigned long) const –> std::string
- variable_expression(self: pyrosetta.rosetta.protocols.pack_daemon.DynamicAggregateFunction, : pyrosetta.rosetta.numeric.expression_parser.ArithmeticASTValue) pyrosetta.rosetta.numeric.expression_parser.Expression ¶
C++: protocols::pack_daemon::DynamicAggregateFunction::variable_expression(const class numeric::expression_parser::ArithmeticASTValue &) const –> class std::shared_ptr<const class numeric::expression_parser::Expression>
- class pyrosetta.rosetta.protocols.pack_daemon.EntityCorrespondence¶
Bases:
pybind11_object
- add_resid_to_entity_list(self: pyrosetta.rosetta.protocols.pack_daemon.EntityCorrespondence, EntityID: int, ResID: int) None ¶
C++: protocols::pack_daemon::EntityCorrespondence::add_resid_to_entity_list(unsigned long, unsigned long) –> void
- assign(self: pyrosetta.rosetta.protocols.pack_daemon.EntityCorrespondence, : pyrosetta.rosetta.protocols.pack_daemon.EntityCorrespondence) pyrosetta.rosetta.protocols.pack_daemon.EntityCorrespondence ¶
C++: protocols::pack_daemon::EntityCorrespondence::operator=(const class protocols::pack_daemon::EntityCorrespondence &) –> class protocols::pack_daemon::EntityCorrespondence &
- entity_for_residue(self: pyrosetta.rosetta.protocols.pack_daemon.EntityCorrespondence, resid: int) int ¶
C++: protocols::pack_daemon::EntityCorrespondence::entity_for_residue(unsigned long) const –> unsigned long
- initialize_from_correspondence_file(self: pyrosetta.rosetta.protocols.pack_daemon.EntityCorrespondence, : pyrosetta.rosetta.std.istream) None ¶
C++: protocols::pack_daemon::EntityCorrespondence::initialize_from_correspondence_file(std::istream &) –> void
- n_residues_for_entity(self: pyrosetta.rosetta.protocols.pack_daemon.EntityCorrespondence, entity_id: int) int ¶
C++: protocols::pack_daemon::EntityCorrespondence::n_residues_for_entity(unsigned long) const –> unsigned long
- num_entities(self: pyrosetta.rosetta.protocols.pack_daemon.EntityCorrespondence) int ¶
C++: protocols::pack_daemon::EntityCorrespondence::num_entities() const –> unsigned long
- num_residues(self: pyrosetta.rosetta.protocols.pack_daemon.EntityCorrespondence) int ¶
C++: protocols::pack_daemon::EntityCorrespondence::num_residues() const –> unsigned long
- set_num_entities(self: pyrosetta.rosetta.protocols.pack_daemon.EntityCorrespondence, num_entities: int) None ¶
C++: protocols::pack_daemon::EntityCorrespondence::set_num_entities(unsigned long) –> void
- set_pose(self: pyrosetta.rosetta.protocols.pack_daemon.EntityCorrespondence, pose: pyrosetta.rosetta.core.pose.Pose) None ¶
C++: protocols::pack_daemon::EntityCorrespondence::set_pose(class std::shared_ptr<const class core::pose::Pose>) –> void
- class pyrosetta.rosetta.protocols.pack_daemon.EntityFunc¶
Bases:
pybind11_object
- assign(self: pyrosetta.rosetta.protocols.pack_daemon.EntityFunc, : pyrosetta.rosetta.protocols.pack_daemon.EntityFunc) pyrosetta.rosetta.protocols.pack_daemon.EntityFunc ¶
C++: protocols::pack_daemon::EntityFunc::operator=(const class protocols::pack_daemon::EntityFunc &) –> class protocols::pack_daemon::EntityFunc &
- evaluate(*args, **kwargs)¶
Overloaded function.
evaluate(self: pyrosetta.rosetta.protocols.pack_daemon.EntityFunc, entity: pyrosetta.rosetta.protocols.genetic_algorithm.Entity) -> float
evaluate(self: pyrosetta.rosetta.protocols.pack_daemon.EntityFunc, entity: pyrosetta.rosetta.protocols.genetic_algorithm.Entity, verbose: bool) -> float
C++: protocols::pack_daemon::EntityFunc::evaluate(const class protocols::genetic_algorithm::Entity &, bool) –> double
- function_expression(self: pyrosetta.rosetta.protocols.pack_daemon.EntityFunc, function: pyrosetta.rosetta.numeric.expression_parser.FunctionToken, args: pyrosetta.rosetta.utility.vector1_std_shared_ptr_const_numeric_expression_parser_Expression_t) pyrosetta.rosetta.numeric.expression_parser.Expression ¶
C++: protocols::pack_daemon::EntityFunc::function_expression(class std::shared_ptr<const class numeric::expression_parser::FunctionToken>, const class utility::vector1<class std::shared_ptr<const class numeric::expression_parser::Expression>, class std::allocator<class std::shared_ptr<const class numeric::expression_parser::Expression> > > &) const –> class std::shared_ptr<const class numeric::expression_parser::Expression>
- initialize_from_input_file(self: pyrosetta.rosetta.protocols.pack_daemon.EntityFunc, input: pyrosetta.rosetta.std.istream) None ¶
C++: protocols::pack_daemon::EntityFunc::initialize_from_input_file(std::istream &) –> void
- set_num_entity_elements(self: pyrosetta.rosetta.protocols.pack_daemon.EntityFunc, num_ee: int) None ¶
C++: protocols::pack_daemon::EntityFunc::set_num_entity_elements(unsigned long) –> void
- variable_expression(self: pyrosetta.rosetta.protocols.pack_daemon.EntityFunc, : pyrosetta.rosetta.numeric.expression_parser.ArithmeticASTValue) pyrosetta.rosetta.numeric.expression_parser.Expression ¶
C++: protocols::pack_daemon::EntityFunc::variable_expression(const class numeric::expression_parser::ArithmeticASTValue &) const –> class std::shared_ptr<const class numeric::expression_parser::Expression>
- class pyrosetta.rosetta.protocols.pack_daemon.EntityFuncExpressionCreator¶
Bases:
ExpressionCreator
- assign(self: pyrosetta.rosetta.numeric.expression_parser.ExpressionCreator, : pyrosetta.rosetta.numeric.expression_parser.ExpressionCreator) pyrosetta.rosetta.numeric.expression_parser.ExpressionCreator ¶
C++: numeric::expression_parser::ExpressionCreator::operator=(const class numeric::expression_parser::ExpressionCreator &) –> class numeric::expression_parser::ExpressionCreator &
- create_expression_tree(self: pyrosetta.rosetta.numeric.expression_parser.ExpressionCreator, : pyrosetta.rosetta.numeric.expression_parser.ArithmeticASTExpression) numeric::expression_parser::Expression ¶
C++: numeric::expression_parser::ExpressionCreator::create_expression_tree(const class numeric::expression_parser::ArithmeticASTExpression &) –> class std::shared_ptr<const class numeric::expression_parser::Expression>
- handle_function_expression(self: pyrosetta.rosetta.protocols.pack_daemon.EntityFuncExpressionCreator, function: pyrosetta.rosetta.numeric.expression_parser.FunctionToken, args: pyrosetta.rosetta.utility.vector1_std_shared_ptr_const_numeric_expression_parser_Expression_t) pyrosetta.rosetta.numeric.expression_parser.Expression ¶
C++: protocols::pack_daemon::EntityFuncExpressionCreator::handle_function_expression(class std::shared_ptr<const class numeric::expression_parser::FunctionToken>, const class utility::vector1<class std::shared_ptr<const class numeric::expression_parser::Expression>, class std::allocator<class std::shared_ptr<const class numeric::expression_parser::Expression> > > &) –> class std::shared_ptr<const class numeric::expression_parser::Expression>
- handle_variable_expression(self: pyrosetta.rosetta.protocols.pack_daemon.EntityFuncExpressionCreator, : pyrosetta.rosetta.numeric.expression_parser.ArithmeticASTValue) pyrosetta.rosetta.numeric.expression_parser.Expression ¶
C++: protocols::pack_daemon::EntityFuncExpressionCreator::handle_variable_expression(const class numeric::expression_parser::ArithmeticASTValue &) –> class std::shared_ptr<const class numeric::expression_parser::Expression>
- visit(*args, **kwargs)¶
Overloaded function.
visit(self: pyrosetta.rosetta.numeric.expression_parser.ExpressionCreator, : pyrosetta.rosetta.numeric.expression_parser.ArithmeticASTExpression) -> None
C++: numeric::expression_parser::ExpressionCreator::visit(const class numeric::expression_parser::ArithmeticASTExpression &) –> void
visit(self: pyrosetta.rosetta.numeric.expression_parser.ExpressionCreator, : pyrosetta.rosetta.numeric.expression_parser.ArithmeticASTAndClause) -> None
C++: numeric::expression_parser::ExpressionCreator::visit(const class numeric::expression_parser::ArithmeticASTAndClause &) –> void
visit(self: pyrosetta.rosetta.numeric.expression_parser.ExpressionCreator, : pyrosetta.rosetta.numeric.expression_parser.ArithmeticASTOrClause) -> None
C++: numeric::expression_parser::ExpressionCreator::visit(const class numeric::expression_parser::ArithmeticASTOrClause &) –> void
visit(self: pyrosetta.rosetta.numeric.expression_parser.ExpressionCreator, : pyrosetta.rosetta.numeric.expression_parser.ArithmeticASTFunction) -> None
C++: numeric::expression_parser::ExpressionCreator::visit(const class numeric::expression_parser::ArithmeticASTFunction &) –> void
visit(self: pyrosetta.rosetta.numeric.expression_parser.ExpressionCreator, : pyrosetta.rosetta.numeric.expression_parser.ArithmeticASTTerm) -> None
C++: numeric::expression_parser::ExpressionCreator::visit(const class numeric::expression_parser::ArithmeticASTTerm &) –> void
visit(self: pyrosetta.rosetta.numeric.expression_parser.ExpressionCreator, : pyrosetta.rosetta.numeric.expression_parser.ArithmeticASTFactor) -> None
C++: numeric::expression_parser::ExpressionCreator::visit(const class numeric::expression_parser::ArithmeticASTFactor &) –> void
visit(self: pyrosetta.rosetta.numeric.expression_parser.ExpressionCreator, : pyrosetta.rosetta.numeric.expression_parser.ArithmeticASTValue) -> None
C++: numeric::expression_parser::ExpressionCreator::visit(const class numeric::expression_parser::ArithmeticASTValue &) –> void
visit(self: pyrosetta.rosetta.numeric.expression_parser.ExpressionCreator, : pyrosetta.rosetta.numeric.expression_parser.ArithmeticASTRestTerm) -> None
C++: numeric::expression_parser::ExpressionCreator::visit(const class numeric::expression_parser::ArithmeticASTRestTerm &) –> void
visit(self: pyrosetta.rosetta.numeric.expression_parser.ExpressionCreator, : pyrosetta.rosetta.numeric.expression_parser.ArithmeticASTRestAndClause) -> None
C++: numeric::expression_parser::ExpressionCreator::visit(const class numeric::expression_parser::ArithmeticASTRestAndClause &) –> void
visit(self: pyrosetta.rosetta.numeric.expression_parser.ExpressionCreator, : pyrosetta.rosetta.numeric.expression_parser.ArithmeticASTRestOrClause) -> None
C++: numeric::expression_parser::ExpressionCreator::visit(const class numeric::expression_parser::ArithmeticASTRestOrClause &) –> void
visit(self: pyrosetta.rosetta.numeric.expression_parser.ExpressionCreator, : pyrosetta.rosetta.numeric.expression_parser.ArithmeticASTRestExpression) -> None
C++: numeric::expression_parser::ExpressionCreator::visit(const class numeric::expression_parser::ArithmeticASTRestExpression &) –> void
visit(self: pyrosetta.rosetta.numeric.expression_parser.ExpressionCreator, : pyrosetta.rosetta.numeric.expression_parser.ArithmeticASTNode) -> None
C++: numeric::expression_parser::ExpressionCreator::visit(const class numeric::expression_parser::ArithmeticASTNode &) –> void
- class pyrosetta.rosetta.protocols.pack_daemon.ExpExpression¶
Bases:
UnaryExpression
- active_variables(self: pyrosetta.rosetta.numeric.expression_parser.UnaryExpression) pyrosetta.rosetta.std.list_std_string_t ¶
C++: numeric::expression_parser::UnaryExpression::active_variables() const –> class std::list<std::string, class std::allocator<std::string > >
- assign(self: pyrosetta.rosetta.protocols.pack_daemon.ExpExpression, : pyrosetta.rosetta.protocols.pack_daemon.ExpExpression) pyrosetta.rosetta.protocols.pack_daemon.ExpExpression ¶
C++: protocols::pack_daemon::ExpExpression::operator=(const class protocols::pack_daemon::ExpExpression &) –> class protocols::pack_daemon::ExpExpression &
- differentiate(self: pyrosetta.rosetta.protocols.pack_daemon.ExpExpression, varname: str) pyrosetta.rosetta.numeric.expression_parser.Expression ¶
C++: protocols::pack_daemon::ExpExpression::differentiate(const std::string &) const –> class std::shared_ptr<const class numeric::expression_parser::Expression>
- ex(self: pyrosetta.rosetta.numeric.expression_parser.UnaryExpression) pyrosetta.rosetta.numeric.expression_parser.Expression ¶
C++: numeric::expression_parser::UnaryExpression::ex() const –> class std::shared_ptr<const class numeric::expression_parser::Expression>
- set_expression(self: pyrosetta.rosetta.numeric.expression_parser.UnaryExpression, ex: pyrosetta.rosetta.numeric.expression_parser.Expression) None ¶
C++: numeric::expression_parser::UnaryExpression::set_expression(class std::shared_ptr<const class numeric::expression_parser::Expression>) –> void
- class pyrosetta.rosetta.protocols.pack_daemon.FASTER_IG_Repacker¶
Bases:
RotamerSubsetRepacker
- assign(self: pyrosetta.rosetta.protocols.pack_daemon.FASTER_IG_Repacker, : pyrosetta.rosetta.protocols.pack_daemon.FASTER_IG_Repacker) pyrosetta.rosetta.protocols.pack_daemon.FASTER_IG_Repacker ¶
C++: protocols::pack_daemon::FASTER_IG_Repacker::operator=(const class protocols::pack_daemon::FASTER_IG_Repacker &) –> class protocols::pack_daemon::FASTER_IG_Repacker &
- create_faster_ig_from_rot_to_pack(self: pyrosetta.rosetta.protocols.pack_daemon.FASTER_IG_Repacker, rot_to_pack: pyrosetta.rosetta.utility.vector0_int, rot_subsets: pyrosetta.rosetta.core.pack.rotamer_set.RotamerSubsets) pyrosetta.rosetta.core.pack.interaction_graph.FASTERInteractionGraph ¶
C++: protocols::pack_daemon::FASTER_IG_Repacker::create_faster_ig_from_rot_to_pack(const class utility::vector0<int, class std::allocator<int> > &, class std::shared_ptr<class core::pack::rotamer_set::RotamerSubsets>) –> class std::shared_ptr<class core::pack::interaction_graph::FASTERInteractionGraph>
- create_rotamer_subsets_from_rot_to_pack(self: pyrosetta.rosetta.protocols.pack_daemon.RotamerSubsetRepacker, rot_to_pack: pyrosetta.rosetta.utility.vector0_int) pyrosetta.rosetta.core.pack.rotamer_set.RotamerSubsets ¶
C++: protocols::pack_daemon::RotamerSubsetRepacker::create_rotamer_subsets_from_rot_to_pack(const class utility::vector0<int, class std::allocator<int> > &) –> class std::shared_ptr<class core::pack::rotamer_set::RotamerSubsets>
- repack(self: pyrosetta.rosetta.protocols.pack_daemon.FASTER_IG_Repacker, rot_to_pack: pyrosetta.rosetta.utility.vector0_int) Tuple[pyrosetta.rosetta.utility.vector1_int, float] ¶
C++: protocols::pack_daemon::FASTER_IG_Repacker::repack(const class utility::vector0<int, class std::allocator<int> > &) –> struct std::pair<class utility::vector1<int, class std::allocator<int> >, double>
- set_ciBR_only(self: pyrosetta.rosetta.protocols.pack_daemon.FASTER_IG_Repacker, setting: bool) None ¶
C++: protocols::pack_daemon::FASTER_IG_Repacker::set_ciBR_only(bool) –> void
- set_num_sa(self: pyrosetta.rosetta.protocols.pack_daemon.FASTER_IG_Repacker, setting: int) None ¶
C++: protocols::pack_daemon::FASTER_IG_Repacker::set_num_sa(int) –> void
- set_sa_scale(self: pyrosetta.rosetta.protocols.pack_daemon.FASTER_IG_Repacker, setting: float) None ¶
C++: protocols::pack_daemon::FASTER_IG_Repacker::set_sa_scale(double) –> void
- class pyrosetta.rosetta.protocols.pack_daemon.InSetExpression¶
Bases:
UnaryExpression
Returns “true” if the expression ex evaluates to one of a set of indicated values.
- active_variables(self: pyrosetta.rosetta.numeric.expression_parser.UnaryExpression) pyrosetta.rosetta.std.list_std_string_t ¶
C++: numeric::expression_parser::UnaryExpression::active_variables() const –> class std::list<std::string, class std::allocator<std::string > >
- assign(self: pyrosetta.rosetta.protocols.pack_daemon.InSetExpression, : pyrosetta.rosetta.protocols.pack_daemon.InSetExpression) pyrosetta.rosetta.protocols.pack_daemon.InSetExpression ¶
C++: protocols::pack_daemon::InSetExpression::operator=(const class protocols::pack_daemon::InSetExpression &) –> class protocols::pack_daemon::InSetExpression &
- differentiate(self: pyrosetta.rosetta.protocols.pack_daemon.InSetExpression, varname: str) pyrosetta.rosetta.numeric.expression_parser.Expression ¶
C++: protocols::pack_daemon::InSetExpression::differentiate(const std::string &) const –> class std::shared_ptr<const class numeric::expression_parser::Expression>
- ex(self: pyrosetta.rosetta.numeric.expression_parser.UnaryExpression) pyrosetta.rosetta.numeric.expression_parser.Expression ¶
C++: numeric::expression_parser::UnaryExpression::ex() const –> class std::shared_ptr<const class numeric::expression_parser::Expression>
- set_expression(self: pyrosetta.rosetta.numeric.expression_parser.UnaryExpression, ex: pyrosetta.rosetta.numeric.expression_parser.Expression) None ¶
C++: numeric::expression_parser::UnaryExpression::set_expression(class std::shared_ptr<const class numeric::expression_parser::Expression>) –> void
- value_set(self: pyrosetta.rosetta.protocols.pack_daemon.InSetExpression, values: pyrosetta.rosetta.utility.vector1_double) None ¶
C++: protocols::pack_daemon::InSetExpression::value_set(const class utility::vector1<double, class std::allocator<double> > &) –> void
- class pyrosetta.rosetta.protocols.pack_daemon.IterativeVectorExpression¶
Bases:
VectorExpression
- active_variables(self: pyrosetta.rosetta.protocols.pack_daemon.IterativeVectorExpression) pyrosetta.rosetta.std.list_std_string_t ¶
C++: protocols::pack_daemon::IterativeVectorExpression::active_variables() const –> class std::list<std::string, class std::allocator<std::string > >
- active_variables_vector(self: pyrosetta.rosetta.protocols.pack_daemon.IterativeVectorExpression) pyrosetta.rosetta.utility.vector1_std_list_std_string_t ¶
C++: protocols::pack_daemon::IterativeVectorExpression::active_variables_vector() const –> class utility::vector1<class std::list<std::string, class std::allocator<std::string > >, class std::allocator<class std::list<std::string, class std::allocator<std::string > > > >
- assign(self: pyrosetta.rosetta.protocols.pack_daemon.IterativeVectorExpression, : pyrosetta.rosetta.protocols.pack_daemon.IterativeVectorExpression) pyrosetta.rosetta.protocols.pack_daemon.IterativeVectorExpression ¶
C++: protocols::pack_daemon::IterativeVectorExpression::operator=(const class protocols::pack_daemon::IterativeVectorExpression &) –> class protocols::pack_daemon::IterativeVectorExpression &
- differentiate(self: pyrosetta.rosetta.protocols.pack_daemon.VectorExpression, varname: str) pyrosetta.rosetta.numeric.expression_parser.Expression ¶
- DO NOT CALL THIS FUNCTION. Vector expressions cannot
be differentiated.
C++: protocols::pack_daemon::VectorExpression::differentiate(const std::string &) const –> class std::shared_ptr<const class numeric::expression_parser::Expression>
- initialize(self: pyrosetta.rosetta.protocols.pack_daemon.IterativeVectorExpression, vector_varnames: pyrosetta.rosetta.std.map_std_string_std_shared_ptr_const_protocols_pack_daemon_VectorExpression_t_std_allocator_std_pair_const_std_string_std_shared_ptr_const_protocols_pack_daemon_VectorExpression_t, expresion_ast: pyrosetta.rosetta.numeric.expression_parser.ArithmeticASTExpression, expression_creator: protocols::pack_daemon::VectorExpressionCreator) None ¶
C++: protocols::pack_daemon::IterativeVectorExpression::initialize(const class std::map<std::string, class std::shared_ptr<const class protocols::pack_daemon::VectorExpression>, struct std::less<std::string >, class std::allocator<struct std::pair<const std::string, class std::shared_ptr<const class protocols::pack_daemon::VectorExpression> > > > &, const class numeric::expression_parser::ArithmeticASTExpression &, class protocols::pack_daemon::VectorExpressionCreator &) –> void
- local_variable(self: pyrosetta.rosetta.protocols.pack_daemon.IterativeVectorExpression, varname: str) pyrosetta.rosetta.numeric.expression_parser.VariableExpression ¶
C++: protocols::pack_daemon::IterativeVectorExpression::local_variable(const std::string &) const –> class std::shared_ptr<const class numeric::expression_parser::VariableExpression>
- name(self: pyrosetta.rosetta.protocols.pack_daemon.VectorExpression) str ¶
C++: protocols::pack_daemon::VectorExpression::name() const –> const std::string &
- size(self: pyrosetta.rosetta.protocols.pack_daemon.IterativeVectorExpression) int ¶
C++: protocols::pack_daemon::IterativeVectorExpression::size() const –> unsigned long
- vector_values(self: pyrosetta.rosetta.protocols.pack_daemon.IterativeVectorExpression) pyrosetta.rosetta.utility.vector1_double ¶
C++: protocols::pack_daemon::IterativeVectorExpression::vector_values() const –> class utility::vector1<double, class std::allocator<double> >
- class pyrosetta.rosetta.protocols.pack_daemon.LnExpression¶
Bases:
UnaryExpression
- active_variables(self: pyrosetta.rosetta.numeric.expression_parser.UnaryExpression) pyrosetta.rosetta.std.list_std_string_t ¶
C++: numeric::expression_parser::UnaryExpression::active_variables() const –> class std::list<std::string, class std::allocator<std::string > >
- assign(self: pyrosetta.rosetta.protocols.pack_daemon.LnExpression, : pyrosetta.rosetta.protocols.pack_daemon.LnExpression) pyrosetta.rosetta.protocols.pack_daemon.LnExpression ¶
C++: protocols::pack_daemon::LnExpression::operator=(const class protocols::pack_daemon::LnExpression &) –> class protocols::pack_daemon::LnExpression &
- differentiate(self: pyrosetta.rosetta.protocols.pack_daemon.LnExpression, varname: str) pyrosetta.rosetta.numeric.expression_parser.Expression ¶
C++: protocols::pack_daemon::LnExpression::differentiate(const std::string &) const –> class std::shared_ptr<const class numeric::expression_parser::Expression>
- ex(self: pyrosetta.rosetta.numeric.expression_parser.UnaryExpression) pyrosetta.rosetta.numeric.expression_parser.Expression ¶
C++: numeric::expression_parser::UnaryExpression::ex() const –> class std::shared_ptr<const class numeric::expression_parser::Expression>
- set_expression(self: pyrosetta.rosetta.numeric.expression_parser.UnaryExpression, ex: pyrosetta.rosetta.numeric.expression_parser.Expression) None ¶
C++: numeric::expression_parser::UnaryExpression::set_expression(class std::shared_ptr<const class numeric::expression_parser::Expression>) –> void
- class pyrosetta.rosetta.protocols.pack_daemon.MPIMultistateFitnessFunction¶
Bases:
MultistateFitnessFunction
- aggregate_function(*args, **kwargs)¶
Overloaded function.
aggregate_function(self: pyrosetta.rosetta.protocols.pack_daemon.MultistateFitnessFunction, func: pyrosetta.rosetta.protocols.pack_daemon.MultistateAggregateFunction) -> None
C++: protocols::pack_daemon::MultistateFitnessFunction::aggregate_function(class std::shared_ptr<class protocols::pack_daemon::MultistateAggregateFunction>) –> void
aggregate_function(self: pyrosetta.rosetta.protocols.pack_daemon.MultistateFitnessFunction) -> pyrosetta.rosetta.protocols.pack_daemon.MultistateAggregateFunction
C++: protocols::pack_daemon::MultistateFitnessFunction::aggregate_function() const –> class std::shared_ptr<const class protocols::pack_daemon::MultistateAggregateFunction>
- assign(self: pyrosetta.rosetta.protocols.pack_daemon.MPIMultistateFitnessFunction, : pyrosetta.rosetta.protocols.pack_daemon.MPIMultistateFitnessFunction) pyrosetta.rosetta.protocols.pack_daemon.MPIMultistateFitnessFunction ¶
C++: protocols::pack_daemon::MPIMultistateFitnessFunction::operator=(const class protocols::pack_daemon::MPIMultistateFitnessFunction &) –> class protocols::pack_daemon::MPIMultistateFitnessFunction &
- clear_history(self: pyrosetta.rosetta.protocols.pack_daemon.MultistateFitnessFunction) None ¶
C++: protocols::pack_daemon::MultistateFitnessFunction::clear_history() –> void
- daemon_set(*args, **kwargs)¶
Overloaded function.
daemon_set(self: pyrosetta.rosetta.protocols.pack_daemon.MultistateFitnessFunction, ds: protocols::pack_daemon::DaemonSet) -> None
C++: protocols::pack_daemon::MultistateFitnessFunction::daemon_set(class std::shared_ptr<class protocols::pack_daemon::DaemonSet>) –> void
daemon_set(self: pyrosetta.rosetta.protocols.pack_daemon.MultistateFitnessFunction) -> protocols::pack_daemon::DaemonSet
C++: protocols::pack_daemon::MultistateFitnessFunction::daemon_set() const –> class std::shared_ptr<const class protocols::pack_daemon::DaemonSet>
- evaluate(self: pyrosetta.rosetta.protocols.pack_daemon.MultistateFitnessFunction, entity: pyrosetta.rosetta.protocols.genetic_algorithm.Entity) float ¶
C++: protocols::pack_daemon::MultistateFitnessFunction::evaluate(class protocols::genetic_algorithm::Entity &) –> double
- npd_properties(self: pyrosetta.rosetta.protocols.pack_daemon.MultistateFitnessFunction) pyrosetta.rosetta.utility.vector1_double ¶
C++: protocols::pack_daemon::MultistateFitnessFunction::npd_properties() const –> const class utility::vector1<double, class std::allocator<double> > &
- send_spin_down_signal(self: pyrosetta.rosetta.protocols.pack_daemon.MPIMultistateFitnessFunction) None ¶
- Spin down the other nodes. No entity evaluation may follow
the spin down call
C++: protocols::pack_daemon::MPIMultistateFitnessFunction::send_spin_down_signal() –> void
- set_history_size(self: pyrosetta.rosetta.protocols.pack_daemon.MultistateFitnessFunction, history_size: int) None ¶
C++: protocols::pack_daemon::MultistateFitnessFunction::set_history_size(unsigned long) –> void
- set_num_npd_properties(self: pyrosetta.rosetta.protocols.pack_daemon.MPIMultistateFitnessFunction, n_npd_properties: int) None ¶
- Inform this MPIMultistateFitnessFunction how many non-pairwise decomposable
properties will be computed for all states
C++: protocols::pack_daemon::MPIMultistateFitnessFunction::set_num_npd_properties(unsigned long) –> void
- set_num_pack_daemons(self: pyrosetta.rosetta.protocols.pack_daemon.MPIMultistateFitnessFunction, n_daemons: int) None ¶
- Inform this MPIMultistateFitnessFunction how many PackDaemons
are running on all nodes (counting this one) which it may be unaware of.
C++: protocols::pack_daemon::MPIMultistateFitnessFunction::set_num_pack_daemons(unsigned long) –> void
- state_energies(self: pyrosetta.rosetta.protocols.pack_daemon.MultistateFitnessFunction) pyrosetta.rosetta.utility.vector1_double ¶
C++: protocols::pack_daemon::MultistateFitnessFunction::state_energies() const –> const class utility::vector1<double, class std::allocator<double> > &
- class pyrosetta.rosetta.protocols.pack_daemon.Mean¶
Bases:
VectorFunction
- active_variables(self: pyrosetta.rosetta.protocols.pack_daemon.Mean) pyrosetta.rosetta.std.list_std_string_t ¶
C++: protocols::pack_daemon::Mean::active_variables() const –> class std::list<std::string, class std::allocator<std::string > >
- assign(self: pyrosetta.rosetta.protocols.pack_daemon.Mean, : pyrosetta.rosetta.protocols.pack_daemon.Mean) pyrosetta.rosetta.protocols.pack_daemon.Mean ¶
C++: protocols::pack_daemon::Mean::operator=(const class protocols::pack_daemon::Mean &) –> class protocols::pack_daemon::Mean &
- differentiate(self: pyrosetta.rosetta.protocols.pack_daemon.Mean, varname: str) pyrosetta.rosetta.numeric.expression_parser.Expression ¶
C++: protocols::pack_daemon::Mean::differentiate(const std::string &) const –> class std::shared_ptr<const class numeric::expression_parser::Expression>
- ex(self: pyrosetta.rosetta.numeric.expression_parser.UnaryExpression) pyrosetta.rosetta.numeric.expression_parser.Expression ¶
C++: numeric::expression_parser::UnaryExpression::ex() const –> class std::shared_ptr<const class numeric::expression_parser::Expression>
- set_expression(self: pyrosetta.rosetta.numeric.expression_parser.UnaryExpression, ex: pyrosetta.rosetta.numeric.expression_parser.Expression) None ¶
C++: numeric::expression_parser::UnaryExpression::set_expression(class std::shared_ptr<const class numeric::expression_parser::Expression>) –> void
- class pyrosetta.rosetta.protocols.pack_daemon.MultistateAggregateFunction¶
Bases:
pybind11_object
- assign(self: pyrosetta.rosetta.protocols.pack_daemon.MultistateAggregateFunction, : pyrosetta.rosetta.protocols.pack_daemon.MultistateAggregateFunction) pyrosetta.rosetta.protocols.pack_daemon.MultistateAggregateFunction ¶
C++: protocols::pack_daemon::MultistateAggregateFunction::operator=(const class protocols::pack_daemon::MultistateAggregateFunction &) –> class protocols::pack_daemon::MultistateAggregateFunction &
- evaluate(self: pyrosetta.rosetta.protocols.pack_daemon.MultistateAggregateFunction, : pyrosetta.rosetta.utility.vector1_double, : pyrosetta.rosetta.utility.vector1_double, : pyrosetta.rosetta.protocols.genetic_algorithm.Entity) float ¶
C++: protocols::pack_daemon::MultistateAggregateFunction::evaluate(const class utility::vector1<double, class std::allocator<double> > &, const class utility::vector1<double, class std::allocator<double> > &, const class protocols::genetic_algorithm::Entity &) –> double
- select_relevant_states(self: pyrosetta.rosetta.protocols.pack_daemon.MultistateAggregateFunction, : pyrosetta.rosetta.utility.vector1_double, : pyrosetta.rosetta.utility.vector1_double, : pyrosetta.rosetta.protocols.genetic_algorithm.Entity) pyrosetta.rosetta.utility.vector1_unsigned_long ¶
C++: protocols::pack_daemon::MultistateAggregateFunction::select_relevant_states(const class utility::vector1<double, class std::allocator<double> > &, const class utility::vector1<double, class std::allocator<double> > &, const class protocols::genetic_algorithm::Entity &) –> class utility::vector1<unsigned long, class std::allocator<unsigned long> >
- class pyrosetta.rosetta.protocols.pack_daemon.MultistateFitnessFunction¶
Bases:
FitnessFunction
- aggregate_function(*args, **kwargs)¶
Overloaded function.
aggregate_function(self: pyrosetta.rosetta.protocols.pack_daemon.MultistateFitnessFunction, func: pyrosetta.rosetta.protocols.pack_daemon.MultistateAggregateFunction) -> None
C++: protocols::pack_daemon::MultistateFitnessFunction::aggregate_function(class std::shared_ptr<class protocols::pack_daemon::MultistateAggregateFunction>) –> void
aggregate_function(self: pyrosetta.rosetta.protocols.pack_daemon.MultistateFitnessFunction) -> pyrosetta.rosetta.protocols.pack_daemon.MultistateAggregateFunction
C++: protocols::pack_daemon::MultistateFitnessFunction::aggregate_function() const –> class std::shared_ptr<const class protocols::pack_daemon::MultistateAggregateFunction>
- assign(self: pyrosetta.rosetta.protocols.pack_daemon.MultistateFitnessFunction, : pyrosetta.rosetta.protocols.pack_daemon.MultistateFitnessFunction) pyrosetta.rosetta.protocols.pack_daemon.MultistateFitnessFunction ¶
C++: protocols::pack_daemon::MultistateFitnessFunction::operator=(const class protocols::pack_daemon::MultistateFitnessFunction &) –> class protocols::pack_daemon::MultistateFitnessFunction &
- clear_history(self: pyrosetta.rosetta.protocols.pack_daemon.MultistateFitnessFunction) None ¶
C++: protocols::pack_daemon::MultistateFitnessFunction::clear_history() –> void
- daemon_set(*args, **kwargs)¶
Overloaded function.
daemon_set(self: pyrosetta.rosetta.protocols.pack_daemon.MultistateFitnessFunction, ds: protocols::pack_daemon::DaemonSet) -> None
C++: protocols::pack_daemon::MultistateFitnessFunction::daemon_set(class std::shared_ptr<class protocols::pack_daemon::DaemonSet>) –> void
daemon_set(self: pyrosetta.rosetta.protocols.pack_daemon.MultistateFitnessFunction) -> protocols::pack_daemon::DaemonSet
C++: protocols::pack_daemon::MultistateFitnessFunction::daemon_set() const –> class std::shared_ptr<const class protocols::pack_daemon::DaemonSet>
- evaluate(self: pyrosetta.rosetta.protocols.pack_daemon.MultistateFitnessFunction, entity: pyrosetta.rosetta.protocols.genetic_algorithm.Entity) float ¶
C++: protocols::pack_daemon::MultistateFitnessFunction::evaluate(class protocols::genetic_algorithm::Entity &) –> double
- npd_properties(self: pyrosetta.rosetta.protocols.pack_daemon.MultistateFitnessFunction) pyrosetta.rosetta.utility.vector1_double ¶
C++: protocols::pack_daemon::MultistateFitnessFunction::npd_properties() const –> const class utility::vector1<double, class std::allocator<double> > &
- set_history_size(self: pyrosetta.rosetta.protocols.pack_daemon.MultistateFitnessFunction, history_size: int) None ¶
C++: protocols::pack_daemon::MultistateFitnessFunction::set_history_size(unsigned long) –> void
- state_energies(self: pyrosetta.rosetta.protocols.pack_daemon.MultistateFitnessFunction) pyrosetta.rosetta.utility.vector1_double ¶
C++: protocols::pack_daemon::MultistateFitnessFunction::state_energies() const –> const class utility::vector1<double, class std::allocator<double> > &
- class pyrosetta.rosetta.protocols.pack_daemon.NPDPropCalculator¶
Bases:
pybind11_object
- assign(self: pyrosetta.rosetta.protocols.pack_daemon.NPDPropCalculator, : pyrosetta.rosetta.protocols.pack_daemon.NPDPropCalculator) pyrosetta.rosetta.protocols.pack_daemon.NPDPropCalculator ¶
C++: protocols::pack_daemon::NPDPropCalculator::operator=(const class protocols::pack_daemon::NPDPropCalculator &) –> class protocols::pack_daemon::NPDPropCalculator &
- calculate(self: pyrosetta.rosetta.protocols.pack_daemon.NPDPropCalculator, p: pyrosetta.rosetta.core.pose.Pose) float ¶
C++: protocols::pack_daemon::NPDPropCalculator::calculate(const class core::pose::Pose &) –> double
- setup(self: pyrosetta.rosetta.protocols.pack_daemon.NPDPropCalculator, pose: pyrosetta.rosetta.core.pose.Pose, task: pyrosetta.rosetta.core.pack.task.PackerTask) None ¶
C++: protocols::pack_daemon::NPDPropCalculator::setup(const class core::pose::Pose &, const class core::pack::task::PackerTask &) –> void
- class pyrosetta.rosetta.protocols.pack_daemon.NPDPropCalculatorCreator¶
Bases:
pybind11_object
- assign(self: pyrosetta.rosetta.protocols.pack_daemon.NPDPropCalculatorCreator, : pyrosetta.rosetta.protocols.pack_daemon.NPDPropCalculatorCreator) pyrosetta.rosetta.protocols.pack_daemon.NPDPropCalculatorCreator ¶
C++: protocols::pack_daemon::NPDPropCalculatorCreator::operator=(const class protocols::pack_daemon::NPDPropCalculatorCreator &) –> class protocols::pack_daemon::NPDPropCalculatorCreator &
- calculator_name(self: pyrosetta.rosetta.protocols.pack_daemon.NPDPropCalculatorCreator) str ¶
C++: protocols::pack_daemon::NPDPropCalculatorCreator::calculator_name() const –> std::string
- new_calculator(self: pyrosetta.rosetta.protocols.pack_daemon.NPDPropCalculatorCreator) pyrosetta.rosetta.protocols.pack_daemon.NPDPropCalculator ¶
C++: protocols::pack_daemon::NPDPropCalculatorCreator::new_calculator() const –> class std::shared_ptr<class protocols::pack_daemon::NPDPropCalculator>
- class pyrosetta.rosetta.protocols.pack_daemon.PackDaemon¶
Bases:
pybind11_object
- assign(self: pyrosetta.rosetta.protocols.pack_daemon.PackDaemon, : pyrosetta.rosetta.protocols.pack_daemon.PackDaemon) pyrosetta.rosetta.protocols.pack_daemon.PackDaemon ¶
C++: protocols::pack_daemon::PackDaemon::operator=(const class protocols::pack_daemon::PackDaemon &) –> class protocols::pack_daemon::PackDaemon &
- assign_last_rotamers_to_pose(self: pyrosetta.rosetta.protocols.pack_daemon.PackDaemon, pose: pyrosetta.rosetta.core.pose.Pose) None ¶
C++: protocols::pack_daemon::PackDaemon::assign_last_rotamers_to_pose(class core::pose::Pose &) const –> void
- best_assignment(self: pyrosetta.rosetta.protocols.pack_daemon.PackDaemon) Tuple[pyrosetta.rosetta.utility.vector1_int, float] ¶
C++: protocols::pack_daemon::PackDaemon::best_assignment() const –> const struct std::pair<class utility::vector1<int, class std::allocator<int> >, double> &
- compute_energy_for_assignment(self: pyrosetta.rosetta.protocols.pack_daemon.PackDaemon, : pyrosetta.rosetta.protocols.genetic_algorithm.Entity) float ¶
- Repack the structure with the Entity
This function proceeds in two steps: it creates a list of rotamer indices to be used during the repacking, and then it uses that list to repack the rotamers. The first step is taken care of by the select_rotamer_subset method.
C++: protocols::pack_daemon::PackDaemon::compute_energy_for_assignment(const class protocols::genetic_algorithm::Entity &) –> double
- correspondence(self: pyrosetta.rosetta.protocols.pack_daemon.PackDaemon) pyrosetta.rosetta.protocols.pack_daemon.EntityCorrespondence ¶
C++: protocols::pack_daemon::PackDaemon::correspondence() const –> class std::shared_ptr<const class protocols::pack_daemon::EntityCorrespondence>
- ig(self: pyrosetta.rosetta.protocols.pack_daemon.PackDaemon) pyrosetta.rosetta.core.pack.interaction_graph.FixedBBInteractionGraph ¶
C++: protocols::pack_daemon::PackDaemon::ig() const –> class std::shared_ptr<const class core::pack::interaction_graph::FixedBBInteractionGraph>
- last_assignment(self: pyrosetta.rosetta.protocols.pack_daemon.PackDaemon) Tuple[pyrosetta.rosetta.utility.vector1_int, float] ¶
C++: protocols::pack_daemon::PackDaemon::last_assignment() const –> const struct std::pair<class utility::vector1<int, class std::allocator<int> >, double> &
- mark_entity_as_unimportant(self: pyrosetta.rosetta.protocols.pack_daemon.PackDaemon, : pyrosetta.rosetta.protocols.genetic_algorithm.Entity) None ¶
C++: protocols::pack_daemon::PackDaemon::mark_entity_as_unimportant(const class protocols::genetic_algorithm::Entity &) –> void
- mark_last_entity_as_important(self: pyrosetta.rosetta.protocols.pack_daemon.PackDaemon) None ¶
C++: protocols::pack_daemon::PackDaemon::mark_last_entity_as_important() –> void
- pose(self: pyrosetta.rosetta.protocols.pack_daemon.PackDaemon) pyrosetta.rosetta.core.pose.Pose ¶
C++: protocols::pack_daemon::PackDaemon::pose() const –> class std::shared_ptr<const class core::pose::Pose>
- print_entity_history(self: pyrosetta.rosetta.protocols.pack_daemon.PackDaemon) None ¶
C++: protocols::pack_daemon::PackDaemon::print_entity_history() const –> void
- recreate_pose_for_entity(self: pyrosetta.rosetta.protocols.pack_daemon.PackDaemon, : pyrosetta.rosetta.protocols.genetic_algorithm.Entity) pyrosetta.rosetta.core.pose.Pose ¶
C++: protocols::pack_daemon::PackDaemon::recreate_pose_for_entity(const class protocols::genetic_algorithm::Entity &) const –> class std::shared_ptr<class core::pose::Pose>
- rot_sets(self: pyrosetta.rosetta.protocols.pack_daemon.PackDaemon) pyrosetta.rosetta.core.pack.rotamer_set.RotamerSets ¶
C++: protocols::pack_daemon::PackDaemon::rot_sets() const –> class std::shared_ptr<const class core::pack::rotamer_set::RotamerSets>
- score_function(self: pyrosetta.rosetta.protocols.pack_daemon.PackDaemon) pyrosetta.rosetta.core.scoring.ScoreFunction ¶
C++: protocols::pack_daemon::PackDaemon::score_function() const –> class std::shared_ptr<const class core::scoring::ScoreFunction>
- select_rotamer_subset(self: pyrosetta.rosetta.protocols.pack_daemon.PackDaemon, : pyrosetta.rosetta.protocols.genetic_algorithm.Entity) pyrosetta.rosetta.utility.vector0_int ¶
C++: protocols::pack_daemon::PackDaemon::select_rotamer_subset(const class protocols::genetic_algorithm::Entity &) const –> class utility::vector0<int, class std::allocator<int> >
- set_dlig_nmeg_limit(self: pyrosetta.rosetta.protocols.pack_daemon.PackDaemon, setting: int) None ¶
- restrict the amount of memory spent on storing Rotamer Pair Energies in the
DoubleLazyInteractionGraph;
C++: protocols::pack_daemon::PackDaemon::set_dlig_nmeg_limit(unsigned long) –> void
- set_entity_correspondence(self: pyrosetta.rosetta.protocols.pack_daemon.PackDaemon, : pyrosetta.rosetta.protocols.pack_daemon.EntityCorrespondence) None ¶
C++: protocols::pack_daemon::PackDaemon::set_entity_correspondence(const class protocols::pack_daemon::EntityCorrespondence &) –> void
- set_include_background_energies(self: pyrosetta.rosetta.protocols.pack_daemon.PackDaemon, setting: bool) None ¶
C++: protocols::pack_daemon::PackDaemon::set_include_background_energies(bool) –> void
- set_pose_and_task(self: pyrosetta.rosetta.protocols.pack_daemon.PackDaemon, : pyrosetta.rosetta.core.pose.Pose, : pyrosetta.rosetta.core.pack.task.PackerTask) None ¶
C++: protocols::pack_daemon::PackDaemon::set_pose_and_task(const class core::pose::Pose &, const class core::pack::task::PackerTask &) –> void
- set_score_function(self: pyrosetta.rosetta.protocols.pack_daemon.PackDaemon, : pyrosetta.rosetta.core.scoring.ScoreFunction) None ¶
C++: protocols::pack_daemon::PackDaemon::set_score_function(const class core::scoring::ScoreFunction &) –> void
- setup(self: pyrosetta.rosetta.protocols.pack_daemon.PackDaemon) None ¶
C++: protocols::pack_daemon::PackDaemon::setup() –> void
- task(self: pyrosetta.rosetta.protocols.pack_daemon.PackDaemon) pyrosetta.rosetta.core.pack.task.PackerTask ¶
C++: protocols::pack_daemon::PackDaemon::task() const –> class std::shared_ptr<const class core::pack::task::PackerTask>
- class pyrosetta.rosetta.protocols.pack_daemon.PowExpression¶
Bases:
BinaryExpression
- active_variables(self: pyrosetta.rosetta.numeric.expression_parser.BinaryExpression) pyrosetta.rosetta.std.list_std_string_t ¶
C++: numeric::expression_parser::BinaryExpression::active_variables() const –> class std::list<std::string, class std::allocator<std::string > >
- assign(self: pyrosetta.rosetta.protocols.pack_daemon.PowExpression, : pyrosetta.rosetta.protocols.pack_daemon.PowExpression) pyrosetta.rosetta.protocols.pack_daemon.PowExpression ¶
C++: protocols::pack_daemon::PowExpression::operator=(const class protocols::pack_daemon::PowExpression &) –> class protocols::pack_daemon::PowExpression &
- differentiate(self: pyrosetta.rosetta.protocols.pack_daemon.PowExpression, varname: str) pyrosetta.rosetta.numeric.expression_parser.Expression ¶
C++: protocols::pack_daemon::PowExpression::differentiate(const std::string &) const –> class std::shared_ptr<const class numeric::expression_parser::Expression>
- e1(self: pyrosetta.rosetta.numeric.expression_parser.BinaryExpression) pyrosetta.rosetta.numeric.expression_parser.Expression ¶
C++: numeric::expression_parser::BinaryExpression::e1() const –> class std::shared_ptr<const class numeric::expression_parser::Expression>
- e2(self: pyrosetta.rosetta.numeric.expression_parser.BinaryExpression) pyrosetta.rosetta.numeric.expression_parser.Expression ¶
C++: numeric::expression_parser::BinaryExpression::e2() const –> class std::shared_ptr<const class numeric::expression_parser::Expression>
- set_first_expression(self: pyrosetta.rosetta.numeric.expression_parser.BinaryExpression, e1: pyrosetta.rosetta.numeric.expression_parser.Expression) None ¶
C++: numeric::expression_parser::BinaryExpression::set_first_expression(class std::shared_ptr<const class numeric::expression_parser::Expression>) –> void
- set_second_expression(self: pyrosetta.rosetta.numeric.expression_parser.BinaryExpression, e2: pyrosetta.rosetta.numeric.expression_parser.Expression) None ¶
C++: numeric::expression_parser::BinaryExpression::set_second_expression(class std::shared_ptr<const class numeric::expression_parser::Expression>) –> void
- class pyrosetta.rosetta.protocols.pack_daemon.QuickRepacker¶
Bases:
pybind11_object
- assign(self: pyrosetta.rosetta.protocols.pack_daemon.QuickRepacker, : pyrosetta.rosetta.protocols.pack_daemon.QuickRepacker) pyrosetta.rosetta.protocols.pack_daemon.QuickRepacker ¶
C++: protocols::pack_daemon::QuickRepacker::operator=(const class protocols::pack_daemon::QuickRepacker &) –> class protocols::pack_daemon::QuickRepacker &
- repack(self: pyrosetta.rosetta.protocols.pack_daemon.QuickRepacker, rot_to_pack: pyrosetta.rosetta.utility.vector0_int) Tuple[pyrosetta.rosetta.utility.vector1_int, float] ¶
C++: protocols::pack_daemon::QuickRepacker::repack(const class utility::vector0<int, class std::allocator<int> > &) –> struct std::pair<class utility::vector1<int, class std::allocator<int> >, double>
- class pyrosetta.rosetta.protocols.pack_daemon.RotamerSubsetRepacker¶
Bases:
QuickRepacker
- assign(self: pyrosetta.rosetta.protocols.pack_daemon.RotamerSubsetRepacker, : pyrosetta.rosetta.protocols.pack_daemon.RotamerSubsetRepacker) pyrosetta.rosetta.protocols.pack_daemon.RotamerSubsetRepacker ¶
C++: protocols::pack_daemon::RotamerSubsetRepacker::operator=(const class protocols::pack_daemon::RotamerSubsetRepacker &) –> class protocols::pack_daemon::RotamerSubsetRepacker &
- create_rotamer_subsets_from_rot_to_pack(self: pyrosetta.rosetta.protocols.pack_daemon.RotamerSubsetRepacker, rot_to_pack: pyrosetta.rosetta.utility.vector0_int) pyrosetta.rosetta.core.pack.rotamer_set.RotamerSubsets ¶
C++: protocols::pack_daemon::RotamerSubsetRepacker::create_rotamer_subsets_from_rot_to_pack(const class utility::vector0<int, class std::allocator<int> > &) –> class std::shared_ptr<class core::pack::rotamer_set::RotamerSubsets>
- repack(self: pyrosetta.rosetta.protocols.pack_daemon.QuickRepacker, rot_to_pack: pyrosetta.rosetta.utility.vector0_int) Tuple[pyrosetta.rosetta.utility.vector1_int, float] ¶
C++: protocols::pack_daemon::QuickRepacker::repack(const class utility::vector0<int, class std::allocator<int> > &) –> struct std::pair<class utility::vector1<int, class std::allocator<int> >, double>
- class pyrosetta.rosetta.protocols.pack_daemon.StructureFileNames¶
Bases:
pybind11_object
- assign(self: pyrosetta.rosetta.protocols.pack_daemon.StructureFileNames, : pyrosetta.rosetta.protocols.pack_daemon.StructureFileNames) pyrosetta.rosetta.protocols.pack_daemon.StructureFileNames ¶
C++: protocols::pack_daemon::StructureFileNames::operator=(const class protocols::pack_daemon::StructureFileNames &) –> class protocols::pack_daemon::StructureFileNames &
- property correspondence_file_name_¶
- property pdb_name_¶
- property resfile_name_¶
- class pyrosetta.rosetta.protocols.pack_daemon.SurrogateVariableExpression¶
Bases:
VariableExpression
Stores the result of the surragate expression as if this expression were a variable, but defers to the root expression for questions of deriviatives and which variables are active (this is not a real variable).
- active_variables(self: pyrosetta.rosetta.protocols.pack_daemon.SurrogateVariableExpression) pyrosetta.rosetta.std.list_std_string_t ¶
C++: protocols::pack_daemon::SurrogateVariableExpression::active_variables() const –> class std::list<std::string, class std::allocator<std::string > >
- assign(self: pyrosetta.rosetta.protocols.pack_daemon.SurrogateVariableExpression, : pyrosetta.rosetta.protocols.pack_daemon.SurrogateVariableExpression) pyrosetta.rosetta.protocols.pack_daemon.SurrogateVariableExpression ¶
C++: protocols::pack_daemon::SurrogateVariableExpression::operator=(const class protocols::pack_daemon::SurrogateVariableExpression &) –> class protocols::pack_daemon::SurrogateVariableExpression &
- differentiate(self: pyrosetta.rosetta.protocols.pack_daemon.SurrogateVariableExpression, varname: str) pyrosetta.rosetta.numeric.expression_parser.Expression ¶
C++: protocols::pack_daemon::SurrogateVariableExpression::differentiate(const std::string &) const –> class std::shared_ptr<const class numeric::expression_parser::Expression>
- name(self: pyrosetta.rosetta.numeric.expression_parser.VariableExpression) str ¶
C++: numeric::expression_parser::VariableExpression::name() const –> std::string
- root_expression(self: pyrosetta.rosetta.protocols.pack_daemon.SurrogateVariableExpression, setting: pyrosetta.rosetta.numeric.expression_parser.Expression) None ¶
C++: protocols::pack_daemon::SurrogateVariableExpression::root_expression(class std::shared_ptr<const class numeric::expression_parser::Expression>) –> void
- set_value(self: pyrosetta.rosetta.numeric.expression_parser.VariableExpression, value: float) None ¶
C++: numeric::expression_parser::VariableExpression::set_value(double) –> void
- class pyrosetta.rosetta.protocols.pack_daemon.TopEntitySet¶
Bases:
pybind11_object
- assign(self: pyrosetta.rosetta.protocols.pack_daemon.TopEntitySet, : pyrosetta.rosetta.protocols.pack_daemon.TopEntitySet) pyrosetta.rosetta.protocols.pack_daemon.TopEntitySet ¶
C++: protocols::pack_daemon::TopEntitySet::operator=(const class protocols::pack_daemon::TopEntitySet &) –> class protocols::pack_daemon::TopEntitySet &
- clear(self: pyrosetta.rosetta.protocols.pack_daemon.TopEntitySet) None ¶
C++: protocols::pack_daemon::TopEntitySet::clear() –> void
- desired_entity_history_size(*args, **kwargs)¶
Overloaded function.
desired_entity_history_size(self: pyrosetta.rosetta.protocols.pack_daemon.TopEntitySet, setting: int) -> None
C++: protocols::pack_daemon::TopEntitySet::desired_entity_history_size(unsigned long) –> void
desired_entity_history_size(self: pyrosetta.rosetta.protocols.pack_daemon.TopEntitySet) -> int
C++: protocols::pack_daemon::TopEntitySet::desired_entity_history_size() const –> unsigned long
- index_of_entity(self: pyrosetta.rosetta.protocols.pack_daemon.TopEntitySet, ent: pyrosetta.rosetta.protocols.genetic_algorithm.Entity) int ¶
C++: protocols::pack_daemon::TopEntitySet::index_of_entity(const class protocols::genetic_algorithm::Entity &) const –> unsigned long
- pop(self: pyrosetta.rosetta.protocols.pack_daemon.TopEntitySet) Tuple[pyrosetta.rosetta.protocols.genetic_algorithm.Entity, Tuple[pyrosetta.rosetta.utility.vector1_double, pyrosetta.rosetta.utility.vector1_double]] ¶
remove the worst entity from the set and return it
C++: protocols::pack_daemon::TopEntitySet::pop() –> struct std::pair<class std::shared_ptr<class protocols::genetic_algorithm::Entity>, struct std::pair<class utility::vector1<double, class std::allocator<double> >, class utility::vector1<double, class std::allocator<double> > > >
- size(self: pyrosetta.rosetta.protocols.pack_daemon.TopEntitySet) int ¶
C++: protocols::pack_daemon::TopEntitySet::size() const –> unsigned long
- class pyrosetta.rosetta.protocols.pack_daemon.VMax¶
Bases:
VectorFunction
- active_variables(self: pyrosetta.rosetta.protocols.pack_daemon.VMax) pyrosetta.rosetta.std.list_std_string_t ¶
C++: protocols::pack_daemon::VMax::active_variables() const –> class std::list<std::string, class std::allocator<std::string > >
- assign(self: pyrosetta.rosetta.protocols.pack_daemon.VMax, : pyrosetta.rosetta.protocols.pack_daemon.VMax) pyrosetta.rosetta.protocols.pack_daemon.VMax ¶
C++: protocols::pack_daemon::VMax::operator=(const class protocols::pack_daemon::VMax &) –> class protocols::pack_daemon::VMax &
- differentiate(self: pyrosetta.rosetta.protocols.pack_daemon.VMax, varname: str) pyrosetta.rosetta.numeric.expression_parser.Expression ¶
C++: protocols::pack_daemon::VMax::differentiate(const std::string &) const –> class std::shared_ptr<const class numeric::expression_parser::Expression>
- ex(self: pyrosetta.rosetta.numeric.expression_parser.UnaryExpression) pyrosetta.rosetta.numeric.expression_parser.Expression ¶
C++: numeric::expression_parser::UnaryExpression::ex() const –> class std::shared_ptr<const class numeric::expression_parser::Expression>
- set_expression(self: pyrosetta.rosetta.numeric.expression_parser.UnaryExpression, ex: pyrosetta.rosetta.numeric.expression_parser.Expression) None ¶
C++: numeric::expression_parser::UnaryExpression::set_expression(class std::shared_ptr<const class numeric::expression_parser::Expression>) –> void
- class pyrosetta.rosetta.protocols.pack_daemon.VMaxBy¶
Bases:
VectorFunction2
Take two vector expressions of equal length; returns the value from position i in expression 2 where position i is the position with the largest value in expression 1
- active_variables(self: pyrosetta.rosetta.protocols.pack_daemon.VMaxBy) pyrosetta.rosetta.std.list_std_string_t ¶
C++: protocols::pack_daemon::VMaxBy::active_variables() const –> class std::list<std::string, class std::allocator<std::string > >
- assign(self: pyrosetta.rosetta.protocols.pack_daemon.VMaxBy, : pyrosetta.rosetta.protocols.pack_daemon.VMaxBy) pyrosetta.rosetta.protocols.pack_daemon.VMaxBy ¶
C++: protocols::pack_daemon::VMaxBy::operator=(const class protocols::pack_daemon::VMaxBy &) –> class protocols::pack_daemon::VMaxBy &
- differentiate(self: pyrosetta.rosetta.protocols.pack_daemon.VMaxBy, varname: str) pyrosetta.rosetta.numeric.expression_parser.Expression ¶
C++: protocols::pack_daemon::VMaxBy::differentiate(const std::string &) const –> class std::shared_ptr<const class numeric::expression_parser::Expression>
- e1(self: pyrosetta.rosetta.numeric.expression_parser.BinaryExpression) pyrosetta.rosetta.numeric.expression_parser.Expression ¶
C++: numeric::expression_parser::BinaryExpression::e1() const –> class std::shared_ptr<const class numeric::expression_parser::Expression>
- e2(self: pyrosetta.rosetta.numeric.expression_parser.BinaryExpression) pyrosetta.rosetta.numeric.expression_parser.Expression ¶
C++: numeric::expression_parser::BinaryExpression::e2() const –> class std::shared_ptr<const class numeric::expression_parser::Expression>
- set_first_expression(self: pyrosetta.rosetta.numeric.expression_parser.BinaryExpression, e1: pyrosetta.rosetta.numeric.expression_parser.Expression) None ¶
C++: numeric::expression_parser::BinaryExpression::set_first_expression(class std::shared_ptr<const class numeric::expression_parser::Expression>) –> void
- set_second_expression(self: pyrosetta.rosetta.numeric.expression_parser.BinaryExpression, e2: pyrosetta.rosetta.numeric.expression_parser.Expression) None ¶
C++: numeric::expression_parser::BinaryExpression::set_second_expression(class std::shared_ptr<const class numeric::expression_parser::Expression>) –> void
- class pyrosetta.rosetta.protocols.pack_daemon.VMin¶
Bases:
VectorFunction
- active_variables(self: pyrosetta.rosetta.protocols.pack_daemon.VMin) pyrosetta.rosetta.std.list_std_string_t ¶
C++: protocols::pack_daemon::VMin::active_variables() const –> class std::list<std::string, class std::allocator<std::string > >
- assign(self: pyrosetta.rosetta.protocols.pack_daemon.VMin, : pyrosetta.rosetta.protocols.pack_daemon.VMin) pyrosetta.rosetta.protocols.pack_daemon.VMin ¶
C++: protocols::pack_daemon::VMin::operator=(const class protocols::pack_daemon::VMin &) –> class protocols::pack_daemon::VMin &
- differentiate(self: pyrosetta.rosetta.protocols.pack_daemon.VMin, varname: str) pyrosetta.rosetta.numeric.expression_parser.Expression ¶
C++: protocols::pack_daemon::VMin::differentiate(const std::string &) const –> class std::shared_ptr<const class numeric::expression_parser::Expression>
- ex(self: pyrosetta.rosetta.numeric.expression_parser.UnaryExpression) pyrosetta.rosetta.numeric.expression_parser.Expression ¶
C++: numeric::expression_parser::UnaryExpression::ex() const –> class std::shared_ptr<const class numeric::expression_parser::Expression>
- set_expression(self: pyrosetta.rosetta.numeric.expression_parser.UnaryExpression, ex: pyrosetta.rosetta.numeric.expression_parser.Expression) None ¶
C++: numeric::expression_parser::UnaryExpression::set_expression(class std::shared_ptr<const class numeric::expression_parser::Expression>) –> void
- class pyrosetta.rosetta.protocols.pack_daemon.VMinBy¶
Bases:
VectorFunction2
Take two vector expressions of equal length; returns the value from position i in expression 2 where position i is the position with the smallest value in expression 1
- active_variables(self: pyrosetta.rosetta.protocols.pack_daemon.VMinBy) pyrosetta.rosetta.std.list_std_string_t ¶
C++: protocols::pack_daemon::VMinBy::active_variables() const –> class std::list<std::string, class std::allocator<std::string > >
- assign(self: pyrosetta.rosetta.protocols.pack_daemon.VMinBy, : pyrosetta.rosetta.protocols.pack_daemon.VMinBy) pyrosetta.rosetta.protocols.pack_daemon.VMinBy ¶
C++: protocols::pack_daemon::VMinBy::operator=(const class protocols::pack_daemon::VMinBy &) –> class protocols::pack_daemon::VMinBy &
- differentiate(self: pyrosetta.rosetta.protocols.pack_daemon.VMinBy, varname: str) pyrosetta.rosetta.numeric.expression_parser.Expression ¶
C++: protocols::pack_daemon::VMinBy::differentiate(const std::string &) const –> class std::shared_ptr<const class numeric::expression_parser::Expression>
- e1(self: pyrosetta.rosetta.numeric.expression_parser.BinaryExpression) pyrosetta.rosetta.numeric.expression_parser.Expression ¶
C++: numeric::expression_parser::BinaryExpression::e1() const –> class std::shared_ptr<const class numeric::expression_parser::Expression>
- e2(self: pyrosetta.rosetta.numeric.expression_parser.BinaryExpression) pyrosetta.rosetta.numeric.expression_parser.Expression ¶
C++: numeric::expression_parser::BinaryExpression::e2() const –> class std::shared_ptr<const class numeric::expression_parser::Expression>
- set_first_expression(self: pyrosetta.rosetta.numeric.expression_parser.BinaryExpression, e1: pyrosetta.rosetta.numeric.expression_parser.Expression) None ¶
C++: numeric::expression_parser::BinaryExpression::set_first_expression(class std::shared_ptr<const class numeric::expression_parser::Expression>) –> void
- set_second_expression(self: pyrosetta.rosetta.numeric.expression_parser.BinaryExpression, e2: pyrosetta.rosetta.numeric.expression_parser.Expression) None ¶
C++: numeric::expression_parser::BinaryExpression::set_second_expression(class std::shared_ptr<const class numeric::expression_parser::Expression>) –> void
- class pyrosetta.rosetta.protocols.pack_daemon.VariableVectorExpression¶
Bases:
VectorExpression
- active_variables(self: pyrosetta.rosetta.protocols.pack_daemon.VariableVectorExpression) pyrosetta.rosetta.std.list_std_string_t ¶
C++: protocols::pack_daemon::VariableVectorExpression::active_variables() const –> class std::list<std::string, class std::allocator<std::string > >
- active_variables_vector(self: pyrosetta.rosetta.protocols.pack_daemon.VariableVectorExpression) pyrosetta.rosetta.utility.vector1_std_list_std_string_t ¶
C++: protocols::pack_daemon::VariableVectorExpression::active_variables_vector() const –> class utility::vector1<class std::list<std::string, class std::allocator<std::string > >, class std::allocator<class std::list<std::string, class std::allocator<std::string > > > >
- assign(self: pyrosetta.rosetta.protocols.pack_daemon.VariableVectorExpression, : pyrosetta.rosetta.protocols.pack_daemon.VariableVectorExpression) pyrosetta.rosetta.protocols.pack_daemon.VariableVectorExpression ¶
C++: protocols::pack_daemon::VariableVectorExpression::operator=(const class protocols::pack_daemon::VariableVectorExpression &) –> class protocols::pack_daemon::VariableVectorExpression &
- differentiate(self: pyrosetta.rosetta.protocols.pack_daemon.VectorExpression, varname: str) pyrosetta.rosetta.numeric.expression_parser.Expression ¶
- DO NOT CALL THIS FUNCTION. Vector expressions cannot
be differentiated.
C++: protocols::pack_daemon::VectorExpression::differentiate(const std::string &) const –> class std::shared_ptr<const class numeric::expression_parser::Expression>
- name(self: pyrosetta.rosetta.protocols.pack_daemon.VectorExpression) str ¶
C++: protocols::pack_daemon::VectorExpression::name() const –> const std::string &
- size(self: pyrosetta.rosetta.protocols.pack_daemon.VariableVectorExpression) int ¶
Returns the number of variable expressions this VectorExpression points at
C++: protocols::pack_daemon::VariableVectorExpression::size() const –> unsigned long
- vector_values(self: pyrosetta.rosetta.protocols.pack_daemon.VariableVectorExpression) pyrosetta.rosetta.utility.vector1_double ¶
C++: protocols::pack_daemon::VariableVectorExpression::vector_values() const –> class utility::vector1<double, class std::allocator<double> >
- class pyrosetta.rosetta.protocols.pack_daemon.VectorExpression¶
Bases:
Expression
- active_variables(self: pyrosetta.rosetta.numeric.expression_parser.Expression) pyrosetta.rosetta.std.list_std_string_t ¶
C++: numeric::expression_parser::Expression::active_variables() const –> class std::list<std::string, class std::allocator<std::string > >
- active_variables_vector(self: pyrosetta.rosetta.protocols.pack_daemon.VectorExpression) pyrosetta.rosetta.utility.vector1_std_list_std_string_t ¶
C++: protocols::pack_daemon::VectorExpression::active_variables_vector() const –> class utility::vector1<class std::list<std::string, class std::allocator<std::string > >, class std::allocator<class std::list<std::string, class std::allocator<std::string > > > >
- assign(self: pyrosetta.rosetta.protocols.pack_daemon.VectorExpression, : pyrosetta.rosetta.protocols.pack_daemon.VectorExpression) pyrosetta.rosetta.protocols.pack_daemon.VectorExpression ¶
C++: protocols::pack_daemon::VectorExpression::operator=(const class protocols::pack_daemon::VectorExpression &) –> class protocols::pack_daemon::VectorExpression &
- differentiate(self: pyrosetta.rosetta.protocols.pack_daemon.VectorExpression, varname: str) pyrosetta.rosetta.numeric.expression_parser.Expression ¶
- DO NOT CALL THIS FUNCTION. Vector expressions cannot
be differentiated.
C++: protocols::pack_daemon::VectorExpression::differentiate(const std::string &) const –> class std::shared_ptr<const class numeric::expression_parser::Expression>
- name(self: pyrosetta.rosetta.protocols.pack_daemon.VectorExpression) str ¶
C++: protocols::pack_daemon::VectorExpression::name() const –> const std::string &
- size(self: pyrosetta.rosetta.protocols.pack_daemon.VectorExpression) int ¶
- Returns the number of vector values that this Expression returns without
computing those values.
C++: protocols::pack_daemon::VectorExpression::size() const –> unsigned long
- vector_values(self: pyrosetta.rosetta.protocols.pack_daemon.VectorExpression) pyrosetta.rosetta.utility.vector1_double ¶
C++: protocols::pack_daemon::VectorExpression::vector_values() const –> class utility::vector1<double, class std::allocator<double> >
- class pyrosetta.rosetta.protocols.pack_daemon.VectorExpressionCreator¶
Bases:
ExpressionCreator
- assign(self: pyrosetta.rosetta.numeric.expression_parser.ExpressionCreator, : pyrosetta.rosetta.numeric.expression_parser.ExpressionCreator) pyrosetta.rosetta.numeric.expression_parser.ExpressionCreator ¶
C++: numeric::expression_parser::ExpressionCreator::operator=(const class numeric::expression_parser::ExpressionCreator &) –> class numeric::expression_parser::ExpressionCreator &
- create_expression_tree(self: pyrosetta.rosetta.numeric.expression_parser.ExpressionCreator, : pyrosetta.rosetta.numeric.expression_parser.ArithmeticASTExpression) numeric::expression_parser::Expression ¶
C++: numeric::expression_parser::ExpressionCreator::create_expression_tree(const class numeric::expression_parser::ArithmeticASTExpression &) –> class std::shared_ptr<const class numeric::expression_parser::Expression>
- handle_function_expression(self: pyrosetta.rosetta.protocols.pack_daemon.VectorExpressionCreator, function: pyrosetta.rosetta.numeric.expression_parser.FunctionToken, args: pyrosetta.rosetta.utility.vector1_std_shared_ptr_const_numeric_expression_parser_Expression_t) pyrosetta.rosetta.numeric.expression_parser.Expression ¶
C++: protocols::pack_daemon::VectorExpressionCreator::handle_function_expression(class std::shared_ptr<const class numeric::expression_parser::FunctionToken>, const class utility::vector1<class std::shared_ptr<const class numeric::expression_parser::Expression>, class std::allocator<class std::shared_ptr<const class numeric::expression_parser::Expression> > > &) –> class std::shared_ptr<const class numeric::expression_parser::Expression>
- handle_variable_expression(self: pyrosetta.rosetta.protocols.pack_daemon.VectorExpressionCreator, : pyrosetta.rosetta.numeric.expression_parser.ArithmeticASTValue) pyrosetta.rosetta.numeric.expression_parser.Expression ¶
C++: protocols::pack_daemon::VectorExpressionCreator::handle_variable_expression(const class numeric::expression_parser::ArithmeticASTValue &) –> class std::shared_ptr<const class numeric::expression_parser::Expression>
- visit(*args, **kwargs)¶
Overloaded function.
visit(self: pyrosetta.rosetta.numeric.expression_parser.ExpressionCreator, : pyrosetta.rosetta.numeric.expression_parser.ArithmeticASTExpression) -> None
C++: numeric::expression_parser::ExpressionCreator::visit(const class numeric::expression_parser::ArithmeticASTExpression &) –> void
visit(self: pyrosetta.rosetta.numeric.expression_parser.ExpressionCreator, : pyrosetta.rosetta.numeric.expression_parser.ArithmeticASTAndClause) -> None
C++: numeric::expression_parser::ExpressionCreator::visit(const class numeric::expression_parser::ArithmeticASTAndClause &) –> void
visit(self: pyrosetta.rosetta.numeric.expression_parser.ExpressionCreator, : pyrosetta.rosetta.numeric.expression_parser.ArithmeticASTOrClause) -> None
C++: numeric::expression_parser::ExpressionCreator::visit(const class numeric::expression_parser::ArithmeticASTOrClause &) –> void
visit(self: pyrosetta.rosetta.numeric.expression_parser.ExpressionCreator, : pyrosetta.rosetta.numeric.expression_parser.ArithmeticASTFunction) -> None
C++: numeric::expression_parser::ExpressionCreator::visit(const class numeric::expression_parser::ArithmeticASTFunction &) –> void
visit(self: pyrosetta.rosetta.numeric.expression_parser.ExpressionCreator, : pyrosetta.rosetta.numeric.expression_parser.ArithmeticASTTerm) -> None
C++: numeric::expression_parser::ExpressionCreator::visit(const class numeric::expression_parser::ArithmeticASTTerm &) –> void
visit(self: pyrosetta.rosetta.numeric.expression_parser.ExpressionCreator, : pyrosetta.rosetta.numeric.expression_parser.ArithmeticASTFactor) -> None
C++: numeric::expression_parser::ExpressionCreator::visit(const class numeric::expression_parser::ArithmeticASTFactor &) –> void
visit(self: pyrosetta.rosetta.numeric.expression_parser.ExpressionCreator, : pyrosetta.rosetta.numeric.expression_parser.ArithmeticASTValue) -> None
C++: numeric::expression_parser::ExpressionCreator::visit(const class numeric::expression_parser::ArithmeticASTValue &) –> void
visit(self: pyrosetta.rosetta.numeric.expression_parser.ExpressionCreator, : pyrosetta.rosetta.numeric.expression_parser.ArithmeticASTRestTerm) -> None
C++: numeric::expression_parser::ExpressionCreator::visit(const class numeric::expression_parser::ArithmeticASTRestTerm &) –> void
visit(self: pyrosetta.rosetta.numeric.expression_parser.ExpressionCreator, : pyrosetta.rosetta.numeric.expression_parser.ArithmeticASTRestAndClause) -> None
C++: numeric::expression_parser::ExpressionCreator::visit(const class numeric::expression_parser::ArithmeticASTRestAndClause &) –> void
visit(self: pyrosetta.rosetta.numeric.expression_parser.ExpressionCreator, : pyrosetta.rosetta.numeric.expression_parser.ArithmeticASTRestOrClause) -> None
C++: numeric::expression_parser::ExpressionCreator::visit(const class numeric::expression_parser::ArithmeticASTRestOrClause &) –> void
visit(self: pyrosetta.rosetta.numeric.expression_parser.ExpressionCreator, : pyrosetta.rosetta.numeric.expression_parser.ArithmeticASTRestExpression) -> None
C++: numeric::expression_parser::ExpressionCreator::visit(const class numeric::expression_parser::ArithmeticASTRestExpression &) –> void
visit(self: pyrosetta.rosetta.numeric.expression_parser.ExpressionCreator, : pyrosetta.rosetta.numeric.expression_parser.ArithmeticASTNode) -> None
C++: numeric::expression_parser::ExpressionCreator::visit(const class numeric::expression_parser::ArithmeticASTNode &) –> void
- class pyrosetta.rosetta.protocols.pack_daemon.VectorFunction¶
Bases:
UnaryExpression
- active_variables(self: pyrosetta.rosetta.numeric.expression_parser.UnaryExpression) pyrosetta.rosetta.std.list_std_string_t ¶
C++: numeric::expression_parser::UnaryExpression::active_variables() const –> class std::list<std::string, class std::allocator<std::string > >
- assign(self: pyrosetta.rosetta.protocols.pack_daemon.VectorFunction, : pyrosetta.rosetta.protocols.pack_daemon.VectorFunction) pyrosetta.rosetta.protocols.pack_daemon.VectorFunction ¶
C++: protocols::pack_daemon::VectorFunction::operator=(const class protocols::pack_daemon::VectorFunction &) –> class protocols::pack_daemon::VectorFunction &
- differentiate(self: pyrosetta.rosetta.numeric.expression_parser.Expression, varname: str) pyrosetta.rosetta.numeric.expression_parser.Expression ¶
- Returns the expression for the partial derivative of this expression
by the variable named varname. If the partial derivative is always zero with respect to varname, returns null.
C++: numeric::expression_parser::Expression::differentiate(const std::string &) const –> class std::shared_ptr<const class numeric::expression_parser::Expression>
- ex(self: pyrosetta.rosetta.numeric.expression_parser.UnaryExpression) pyrosetta.rosetta.numeric.expression_parser.Expression ¶
C++: numeric::expression_parser::UnaryExpression::ex() const –> class std::shared_ptr<const class numeric::expression_parser::Expression>
- set_expression(self: pyrosetta.rosetta.numeric.expression_parser.UnaryExpression, ex: pyrosetta.rosetta.numeric.expression_parser.Expression) None ¶
C++: numeric::expression_parser::UnaryExpression::set_expression(class std::shared_ptr<const class numeric::expression_parser::Expression>) –> void
- class pyrosetta.rosetta.protocols.pack_daemon.VectorFunction2¶
Bases:
BinaryExpression
- active_variables(self: pyrosetta.rosetta.numeric.expression_parser.BinaryExpression) pyrosetta.rosetta.std.list_std_string_t ¶
C++: numeric::expression_parser::BinaryExpression::active_variables() const –> class std::list<std::string, class std::allocator<std::string > >
- assign(self: pyrosetta.rosetta.protocols.pack_daemon.VectorFunction2, : pyrosetta.rosetta.protocols.pack_daemon.VectorFunction2) pyrosetta.rosetta.protocols.pack_daemon.VectorFunction2 ¶
C++: protocols::pack_daemon::VectorFunction2::operator=(const class protocols::pack_daemon::VectorFunction2 &) –> class protocols::pack_daemon::VectorFunction2 &
- differentiate(self: pyrosetta.rosetta.numeric.expression_parser.Expression, varname: str) pyrosetta.rosetta.numeric.expression_parser.Expression ¶
- Returns the expression for the partial derivative of this expression
by the variable named varname. If the partial derivative is always zero with respect to varname, returns null.
C++: numeric::expression_parser::Expression::differentiate(const std::string &) const –> class std::shared_ptr<const class numeric::expression_parser::Expression>
- e1(self: pyrosetta.rosetta.numeric.expression_parser.BinaryExpression) pyrosetta.rosetta.numeric.expression_parser.Expression ¶
C++: numeric::expression_parser::BinaryExpression::e1() const –> class std::shared_ptr<const class numeric::expression_parser::Expression>
- e2(self: pyrosetta.rosetta.numeric.expression_parser.BinaryExpression) pyrosetta.rosetta.numeric.expression_parser.Expression ¶
C++: numeric::expression_parser::BinaryExpression::e2() const –> class std::shared_ptr<const class numeric::expression_parser::Expression>
- set_first_expression(self: pyrosetta.rosetta.numeric.expression_parser.BinaryExpression, e1: pyrosetta.rosetta.numeric.expression_parser.Expression) None ¶
C++: numeric::expression_parser::BinaryExpression::set_first_expression(class std::shared_ptr<const class numeric::expression_parser::Expression>) –> void
- set_second_expression(self: pyrosetta.rosetta.numeric.expression_parser.BinaryExpression, e2: pyrosetta.rosetta.numeric.expression_parser.Expression) None ¶
C++: numeric::expression_parser::BinaryExpression::set_second_expression(class std::shared_ptr<const class numeric::expression_parser::Expression>) –> void
- pyrosetta.rosetta.protocols.pack_daemon.create_entity_resfile_contents(resfile: pyrosetta.rosetta.std.istream, resfile_name: str, entity_resfile_contents: pyrosetta.rosetta.core.pack.task.ResfileContents, entity_task: pyrosetta.rosetta.core.pack.task.PackerTask, num_entities: int) None ¶
C++: protocols::pack_daemon::create_entity_resfile_contents(std::istream &, const std::string &, class std::shared_ptr<class core::pack::task::ResfileContents> &, class std::shared_ptr<class core::pack::task::PackerTask> &, unsigned long &) –> void
- pyrosetta.rosetta.protocols.pack_daemon.initialize_ga_randomizer_from_entity_task(rand: pyrosetta.rosetta.protocols.genetic_algorithm.PositionSpecificRandomizer, entity_task: pyrosetta.rosetta.core.pack.task.PackerTask) None ¶
C++: protocols::pack_daemon::initialize_ga_randomizer_from_entity_task(class std::shared_ptr<class protocols::genetic_algorithm::PositionSpecificRandomizer>, class std::shared_ptr<class core::pack::task::PackerTask>) –> void
- pyrosetta.rosetta.protocols.pack_daemon.initialize_task_from_entity_resfile_and_secondary_resfile(pose: pyrosetta.rosetta.core.pose.Pose, ec: pyrosetta.rosetta.protocols.pack_daemon.EntityCorrespondence, entity_resfile_contents: pyrosetta.rosetta.core.pack.task.ResfileContents, secondary_resfile_contents: pyrosetta.rosetta.core.pack.task.ResfileContents, task: pyrosetta.rosetta.core.pack.task.PackerTask) None ¶
C++: protocols::pack_daemon::initialize_task_from_entity_resfile_and_secondary_resfile(const class core::pose::Pose &, class std::shared_ptr<const class protocols::pack_daemon::EntityCorrespondence>, const class core::pack::task::ResfileContents &, const class core::pack::task::ResfileContents &, class std::shared_ptr<class core::pack::task::PackerTask>) –> void