mc_convergence_checks

Bindings for protocols::canonical_sampling::mc_convergence_checks namespace

class pyrosetta.rosetta.protocols.canonical_sampling.mc_convergence_checks.DataBuffer

Bases: pybind11_object

address_to_buf(self: pyrosetta.rosetta.protocols.canonical_sampling.mc_convergence_checks.DataBuffer, address: pyrosetta.rosetta.utility.vector1_unsigned_long, buf: int, start_index: int) → None

C++: protocols::canonical_sampling::mc_convergence_checks::DataBuffer::address_to_buf(class utility::vector1<unsigned long, class std::allocator<unsigned long> > &, int *, unsigned long) –> void

array_to_farray(*args, **kwargs)

Overloaded function.

1. array_to_farray(self: pyrosetta.rosetta.protocols.canonical_sampling.mc_convergence_checks.DataBuffer, index: int, coords: pyrosetta.rosetta.ObjexxFCL.FArray2D_double_t, coord_buf: float) -> None

C++: protocols::canonical_sampling::mc_convergence_checks::DataBuffer::array_to_farray(unsigned long, class ObjexxFCL::FArray2D<double> &, double *) –> void

2. array_to_farray(self: pyrosetta.rosetta.protocols.canonical_sampling.mc_convergence_checks.DataBuffer, index: int, num_to_add: int, coords: pyrosetta.rosetta.ObjexxFCL.FArray2D_double_t, coord_buf: float) -> None

C++: protocols::canonical_sampling::mc_convergence_checks::DataBuffer::array_to_farray(unsigned long, unsigned long, class ObjexxFCL::FArray2D<double> &, const double *) –> void

assign(self: pyrosetta.rosetta.protocols.canonical_sampling.mc_convergence_checks.DataBuffer, : pyrosetta.rosetta.protocols.canonical_sampling.mc_convergence_checks.DataBuffer) → pyrosetta.rosetta.protocols.canonical_sampling.mc_convergence_checks.DataBuffer

C++: protocols::canonical_sampling::mc_convergence_checks::DataBuffer::operator=(const struct protocols::canonical_sampling::mc_convergence_checks::DataBuffer &) –> struct protocols::canonical_sampling::mc_convergence_checks::DataBuffer &

property best_candidate_rmsds_

buf_to_address(self: pyrosetta.rosetta.protocols.canonical_sampling.mc_convergence_checks.DataBuffer, address: pyrosetta.rosetta.utility.vector1_unsigned_long, buf: int, start_index: int) → None

C++: protocols::canonical_sampling::mc_convergence_checks::DataBuffer::buf_to_address(class utility::vector1<unsigned long, class std::allocator<unsigned long> > &, const int *, unsigned long) –> void

property candidate_address_

property candidate_best_rmsd_

property candidate_coords_

property candidate_nbr_index_

property coords_

farray_to_array(*args, **kwargs)

Overloaded function.

1. farray_to_array(self: pyrosetta.rosetta.protocols.canonical_sampling.mc_convergence_checks.DataBuffer, index: int, coords: pyrosetta.rosetta.ObjexxFCL.FArray2D_double_t, coord_buf: float) -> None

C++: protocols::canonical_sampling::mc_convergence_checks::DataBuffer::farray_to_array(unsigned long, const class ObjexxFCL::FArray2D<double> &, double *) –> void

2. farray_to_array(self: pyrosetta.rosetta.protocols.canonical_sampling.mc_convergence_checks.DataBuffer, index: int, num_to_add: int, coords: pyrosetta.rosetta.ObjexxFCL.FArray2D_double_t, coord_buf: float) -> None

C++: protocols::canonical_sampling::mc_convergence_checks::DataBuffer::farray_to_array(unsigned long, unsigned long, const class ObjexxFCL::FArray2D<double> &, double *) –> void

property is_a_neighbor_

property new_level_begins_

property num_new_neighbors_

setup(self: pyrosetta.rosetta.protocols.canonical_sampling.mc_convergence_checks.DataBuffer, num_slave_nodes: int, nresidues: int, nlevels: int) → None

C++: protocols::canonical_sampling::mc_convergence_checks::DataBuffer::setup(int, int, int) –> void

property temp_coords_

property winning_address_

property winning_tag_

class pyrosetta.rosetta.protocols.canonical_sampling.mc_convergence_checks.EXCN_Heat_Converged

Bases: EXCN_Converged

add_msg(self: pyrosetta.rosetta.utility.excn.Exception, str: str) → None

C++: utility::excn::Exception::add_msg(const std::string &) –> void

assign(self: pyrosetta.rosetta.protocols.canonical_sampling.mc_convergence_checks.EXCN_Heat_Converged, : pyrosetta.rosetta.protocols.canonical_sampling.mc_convergence_checks.EXCN_Heat_Converged) → pyrosetta.rosetta.protocols.canonical_sampling.mc_convergence_checks.EXCN_Heat_Converged

C++: protocols::canonical_sampling::mc_convergence_checks::EXCN_Heat_Converged::operator=(const class protocols::canonical_sampling::mc_convergence_checks::EXCN_Heat_Converged &) –> class protocols::canonical_sampling::mc_convergence_checks::EXCN_Heat_Converged &

crash_log(self: pyrosetta.rosetta.utility.excn.Exception) → None

Invoke a crash log for throwing this exception.

If your exception is one which is a “non-error” exception, override this function to do nothing.

C++: utility::excn::Exception::crash_log() const –> void

display(self: pyrosetta.rosetta.utility.excn.Exception) → None

Present this exception to the user.

Will invoke crash log reporting, if applicable

C++: utility::excn::Exception::display() const –> void

file(self: pyrosetta.rosetta.utility.excn.Exception) → str

C++: utility::excn::Exception::file() –> const std::string &

line(self: pyrosetta.rosetta.utility.excn.Exception) → int

C++: utility::excn::Exception::line() –> int

msg(*args, **kwargs)

Overloaded function.

1. msg(self: pyrosetta.rosetta.utility.excn.Exception) -> str

Will return a formatted message (with file/line information)

C++: utility::excn::Exception::msg() const –> std::string

2. msg(self: pyrosetta.rosetta.utility.excn.Exception, m: str) -> None

Will set the raw message.

C++: utility::excn::Exception::msg(const std::string &) –> void

prepend_to_msg(self: pyrosetta.rosetta.utility.excn.Exception, str: str) → None

C++: utility::excn::Exception::prepend_to_msg(const std::string &) –> void

raw_msg(self: pyrosetta.rosetta.utility.excn.Exception) → str

Will return the raw message (without file/line information)

C++: utility::excn::Exception::raw_msg() const –> std::string

show(self: pyrosetta.rosetta.utility.excn.Exception, : pyrosetta.rosetta.std.ostream) → None

C++: utility::excn::Exception::show(std::ostream &) const –> void

traceback(self: pyrosetta.rosetta.utility.excn.Exception) → str

C++: utility::excn::Exception::traceback() –> const std::string &

what(self: pyrosetta.rosetta.std.exception) → str

C++: std::exception::what() const –> const char *

class pyrosetta.rosetta.protocols.canonical_sampling.mc_convergence_checks.EXCN_Pool_Converged

Bases: EXCN_Converged

add_msg(self: pyrosetta.rosetta.utility.excn.Exception, str: str) → None

C++: utility::excn::Exception::add_msg(const std::string &) –> void

assign(self: pyrosetta.rosetta.protocols.canonical_sampling.mc_convergence_checks.EXCN_Pool_Converged, : pyrosetta.rosetta.protocols.canonical_sampling.mc_convergence_checks.EXCN_Pool_Converged) → pyrosetta.rosetta.protocols.canonical_sampling.mc_convergence_checks.EXCN_Pool_Converged

C++: protocols::canonical_sampling::mc_convergence_checks::EXCN_Pool_Converged::operator=(const class protocols::canonical_sampling::mc_convergence_checks::EXCN_Pool_Converged &) –> class protocols::canonical_sampling::mc_convergence_checks::EXCN_Pool_Converged &

crash_log(self: pyrosetta.rosetta.utility.excn.Exception) → None

Invoke a crash log for throwing this exception.

If your exception is one which is a “non-error” exception, override this function to do nothing.

C++: utility::excn::Exception::crash_log() const –> void

display(self: pyrosetta.rosetta.utility.excn.Exception) → None

Present this exception to the user.

Will invoke crash log reporting, if applicable

C++: utility::excn::Exception::display() const –> void

file(self: pyrosetta.rosetta.utility.excn.Exception) → str

C++: utility::excn::Exception::file() –> const std::string &

line(self: pyrosetta.rosetta.utility.excn.Exception) → int

C++: utility::excn::Exception::line() –> int

msg(*args, **kwargs)

Overloaded function.

1. msg(self: pyrosetta.rosetta.utility.excn.Exception) -> str

Will return a formatted message (with file/line information)

C++: utility::excn::Exception::msg() const –> std::string

2. msg(self: pyrosetta.rosetta.utility.excn.Exception, m: str) -> None

Will set the raw message.

C++: utility::excn::Exception::msg(const std::string &) –> void

prepend_to_msg(self: pyrosetta.rosetta.utility.excn.Exception, str: str) → None

C++: utility::excn::Exception::prepend_to_msg(const std::string &) –> void

raw_msg(self: pyrosetta.rosetta.utility.excn.Exception) → str

Will return the raw message (without file/line information)

C++: utility::excn::Exception::raw_msg() const –> std::string

show(self: pyrosetta.rosetta.utility.excn.Exception, : pyrosetta.rosetta.std.ostream) → None

C++: utility::excn::Exception::show(std::ostream &) const –> void

traceback(self: pyrosetta.rosetta.utility.excn.Exception) → str

C++: utility::excn::Exception::traceback() –> const std::string &

what(self: pyrosetta.rosetta.std.exception) → str

C++: std::exception::what() const –> const char *

class pyrosetta.rosetta.protocols.canonical_sampling.mc_convergence_checks.HPool_RMSD

Bases: Pool_RMSD

add(*args, **kwargs)

Overloaded function.

1. add(self: pyrosetta.rosetta.protocols.canonical_sampling.mc_convergence_checks.Pool_RMSD, : pyrosetta.rosetta.core.io.silent.SilentStruct) -> None

2. add(self: pyrosetta.rosetta.protocols.canonical_sampling.mc_convergence_checks.Pool_RMSD, : pyrosetta.rosetta.core.io.silent.SilentStruct, new_tag: str) -> None

C++: protocols::canonical_sampling::mc_convergence_checks::Pool_RMSD::add(const class core::io::silent::SilentStruct &, std::string) –> void

3. add(self: pyrosetta.rosetta.protocols.canonical_sampling.mc_convergence_checks.Pool_RMSD, : pyrosetta.rosetta.core.pose.Pose, new_tag: str) -> None

C++: protocols::canonical_sampling::mc_convergence_checks::Pool_RMSD::add(const class core::pose::Pose &, std::string) –> void

4. add(self: pyrosetta.rosetta.protocols.canonical_sampling.mc_convergence_checks.Pool_RMSD, : pyrosetta.rosetta.ObjexxFCL.FArray2D_double_t, nres: int, new_tag: str) -> None

C++: protocols::canonical_sampling::mc_convergence_checks::Pool_RMSD::add(const class ObjexxFCL::FArray2D<double> &, unsigned long, std::string) –> void

assign(self: pyrosetta.rosetta.protocols.canonical_sampling.mc_convergence_checks.HPool_RMSD, : pyrosetta.rosetta.protocols.canonical_sampling.mc_convergence_checks.HPool_RMSD) → pyrosetta.rosetta.protocols.canonical_sampling.mc_convergence_checks.HPool_RMSD

C++: protocols::canonical_sampling::mc_convergence_checks::HPool_RMSD::operator=(const class protocols::canonical_sampling::mc_convergence_checks::HPool_RMSD &) –> class protocols::canonical_sampling::mc_convergence_checks::HPool_RMSD &

clear(self: pyrosetta.rosetta.protocols.canonical_sampling.mc_convergence_checks.Pool_RMSD) → None

C++: protocols::canonical_sampling::mc_convergence_checks::Pool_RMSD::clear() –> void

clear_lib(self: pyrosetta.rosetta.protocols.canonical_sampling.mc_convergence_checks.HPool_RMSD, : int) → None

C++: protocols::canonical_sampling::mc_convergence_checks::HPool_RMSD::clear_lib(const unsigned long) –> void

debug(self: pyrosetta.rosetta.protocols.canonical_sampling.mc_convergence_checks.HPool_RMSD) → None

C++: protocols::canonical_sampling::mc_convergence_checks::HPool_RMSD::debug() –> void

evaluate(*args, **kwargs)

Overloaded function.

1. evaluate(self: pyrosetta.rosetta.protocols.canonical_sampling.mc_convergence_checks.HPool_RMSD, pose: pyrosetta.rosetta.core.pose.Pose, resolution: float, best_decoy: str, best_rmsd: float) -> int

C++: protocols::canonical_sampling::mc_convergence_checks::HPool_RMSD::evaluate(class core::pose::Pose &, double, std::string &, double &) –> unsigned long

2. evaluate(self: pyrosetta.rosetta.protocols.canonical_sampling.mc_convergence_checks.HPool_RMSD, pss: pyrosetta.rosetta.core.io.silent.SilentStruct, resolution: float, best_decoy: str, best_rmsd: float) -> int

C++: protocols::canonical_sampling::mc_convergence_checks::HPool_RMSD::evaluate(class core::io::silent::SilentStruct &, double, std::string &, double &) –> unsigned long

evaluate_and_add(*args, **kwargs)

Overloaded function.

1. evaluate_and_add(self: pyrosetta.rosetta.protocols.canonical_sampling.mc_convergence_checks.Pool_RMSD, pose: pyrosetta.rosetta.core.pose.Pose, cluster_center: str, best_rmsd: float, transition_threshold: float) -> int

C++: protocols::canonical_sampling::mc_convergence_checks::Pool_RMSD::evaluate_and_add(const class core::pose::Pose &, std::string &, double &, double) –> unsigned long

2. evaluate_and_add(self: pyrosetta.rosetta.protocols.canonical_sampling.mc_convergence_checks.Pool_RMSD, coords: pyrosetta.rosetta.ObjexxFCL.FArray2D_double_t, best_decoy: str, best_rmsd: float, transition_threshold: float) -> int

C++: protocols::canonical_sampling::mc_convergence_checks::Pool_RMSD::evaluate_and_add(class ObjexxFCL::FArray2D<double> &, std::string &, double &, double) –> unsigned long

finalize(self: pyrosetta.rosetta.protocols.canonical_sampling.mc_convergence_checks.Pool_RMSD) → None

C++: protocols::canonical_sampling::mc_convergence_checks::Pool_RMSD::finalize() –> void

get(self: pyrosetta.rosetta.protocols.canonical_sampling.mc_convergence_checks.Pool_RMSD, index: int, result: pyrosetta.rosetta.ObjexxFCL.FArray2D_double_t) → None

C++: protocols::canonical_sampling::mc_convergence_checks::Pool_RMSD::get(unsigned long, class ObjexxFCL::FArray2D<double> &) –> void

get_size(self: pyrosetta.rosetta.protocols.canonical_sampling.mc_convergence_checks.HPool_RMSD, nsubc: int) → int

C++: protocols::canonical_sampling::mc_convergence_checks::HPool_RMSD::get_size(unsigned long) –> unsigned long

get_tag(self: pyrosetta.rosetta.protocols.canonical_sampling.mc_convergence_checks.Pool_RMSD, index: int) → str

C++: protocols::canonical_sampling::mc_convergence_checks::Pool_RMSD::get_tag(unsigned long) –> std::string &

load_lib(self: pyrosetta.rosetta.protocols.canonical_sampling.mc_convergence_checks.HPool_RMSD, : int) → bool

C++: protocols::canonical_sampling::mc_convergence_checks::HPool_RMSD::load_lib(const unsigned long) –> bool

pop_back(self: pyrosetta.rosetta.protocols.canonical_sampling.mc_convergence_checks.Pool_RMSD) → None

C++: protocols::canonical_sampling::mc_convergence_checks::Pool_RMSD::pop_back() –> void

set_excluded_residues(self: pyrosetta.rosetta.protocols.canonical_sampling.mc_convergence_checks.Pool_RMSD, excluded_residues: pyrosetta.rosetta.utility.vector1_unsigned_long) → None

C++: protocols::canonical_sampling::mc_convergence_checks::Pool_RMSD::set_excluded_residues(const class utility::vector1<unsigned long, class std::allocator<unsigned long> > &) –> void

set_reserve_size(self: pyrosetta.rosetta.protocols.canonical_sampling.mc_convergence_checks.Pool_RMSD, max_size: int) → None

C++: protocols::canonical_sampling::mc_convergence_checks::Pool_RMSD::set_reserve_size(int) –> void

size(self: pyrosetta.rosetta.protocols.canonical_sampling.mc_convergence_checks.Pool_RMSD) → int

C++: protocols::canonical_sampling::mc_convergence_checks::Pool_RMSD::size() const –> unsigned long

class pyrosetta.rosetta.protocols.canonical_sampling.mc_convergence_checks.Heat_ConvergenceCheck

Bases: MonteCarloExceptionConverge

assign(self: pyrosetta.rosetta.protocols.canonical_sampling.mc_convergence_checks.Heat_ConvergenceCheck, : pyrosetta.rosetta.protocols.canonical_sampling.mc_convergence_checks.Heat_ConvergenceCheck) → pyrosetta.rosetta.protocols.canonical_sampling.mc_convergence_checks.Heat_ConvergenceCheck

C++: protocols::canonical_sampling::mc_convergence_checks::Heat_ConvergenceCheck::operator=(const class protocols::canonical_sampling::mc_convergence_checks::Heat_ConvergenceCheck &) –> class protocols::canonical_sampling::mc_convergence_checks::Heat_ConvergenceCheck &

class pyrosetta.rosetta.protocols.canonical_sampling.mc_convergence_checks.HierarchicalLevel

Bases: Pool_RMSD

add(*args, **kwargs)

Overloaded function.

1. add(self: pyrosetta.rosetta.protocols.canonical_sampling.mc_convergence_checks.Pool_RMSD, : pyrosetta.rosetta.core.io.silent.SilentStruct) -> None

2. add(self: pyrosetta.rosetta.protocols.canonical_sampling.mc_convergence_checks.Pool_RMSD, : pyrosetta.rosetta.core.io.silent.SilentStruct, new_tag: str) -> None

C++: protocols::canonical_sampling::mc_convergence_checks::Pool_RMSD::add(const class core::io::silent::SilentStruct &, std::string) –> void

3. add(self: pyrosetta.rosetta.protocols.canonical_sampling.mc_convergence_checks.Pool_RMSD, : pyrosetta.rosetta.core.pose.Pose, new_tag: str) -> None

C++: protocols::canonical_sampling::mc_convergence_checks::Pool_RMSD::add(const class core::pose::Pose &, std::string) –> void

4. add(self: pyrosetta.rosetta.protocols.canonical_sampling.mc_convergence_checks.Pool_RMSD, : pyrosetta.rosetta.ObjexxFCL.FArray2D_double_t, nres: int, new_tag: str) -> None

C++: protocols::canonical_sampling::mc_convergence_checks::Pool_RMSD::add(const class ObjexxFCL::FArray2D<double> &, unsigned long, std::string) –> void

add_new(*args, **kwargs)

Overloaded function.

1. add_new(self: pyrosetta.rosetta.protocols.canonical_sampling.mc_convergence_checks.HierarchicalLevel, pose: pyrosetta.rosetta.core.pose.Pose, tag: str, address: pyrosetta.rosetta.utility.vector1_unsigned_long, write_to_file: bool, new_level: int) -> None

C++: protocols::canonical_sampling::mc_convergence_checks::HierarchicalLevel::add_new(const class core::pose::Pose &, std::string &, class utility::vector1<unsigned long, class std::allocator<unsigned long> > &, bool, unsigned long) –> void

2. add_new(self: pyrosetta.rosetta.protocols.canonical_sampling.mc_convergence_checks.HierarchicalLevel, : pyrosetta.rosetta.core.io.silent.SilentStruct, tag: str, address: pyrosetta.rosetta.utility.vector1_unsigned_long, write_to_file: bool, new_level: int) -> None

C++: protocols::canonical_sampling::mc_convergence_checks::HierarchicalLevel::add_new(class core::io::silent::SilentStruct &, std::string &, class utility::vector1<unsigned long, class std::allocator<unsigned long> > &, bool, unsigned long) –> void

3. add_new(self: pyrosetta.rosetta.protocols.canonical_sampling.mc_convergence_checks.HierarchicalLevel, : pyrosetta.rosetta.ObjexxFCL.FArray2D_double_t, tag: str, address: pyrosetta.rosetta.utility.vector1_unsigned_long) -> bool

C++: protocols::canonical_sampling::mc_convergence_checks::HierarchicalLevel::add_new(class ObjexxFCL::FArray2D<double> &, std::string &, class utility::vector1<unsigned long, class std::allocator<unsigned long> > &) –> bool

4. add_new(self: pyrosetta.rosetta.protocols.canonical_sampling.mc_convergence_checks.HierarchicalLevel, : pyrosetta.rosetta.ObjexxFCL.FArray2D_double_t, tag: str, address: pyrosetta.rosetta.utility.vector1_unsigned_long, resolve_remaining_levels: bool) -> bool

C++: protocols::canonical_sampling::mc_convergence_checks::HierarchicalLevel::add_new(class ObjexxFCL::FArray2D<double> &, std::string &, class utility::vector1<unsigned long, class std::allocator<unsigned long> > &, bool) –> bool

add_to_top_level(self: pyrosetta.rosetta.protocols.canonical_sampling.mc_convergence_checks.HierarchicalLevel, : pyrosetta.rosetta.ObjexxFCL.FArray2D_double_t, tag: str) → None

C++: protocols::canonical_sampling::mc_convergence_checks::HierarchicalLevel::add_to_top_level(class ObjexxFCL::FArray2D<double> &, std::string &) –> void

address(self: pyrosetta.rosetta.protocols.canonical_sampling.mc_convergence_checks.HierarchicalLevel, index: int) → pyrosetta.rosetta.utility.vector1_unsigned_long

C++: protocols::canonical_sampling::mc_convergence_checks::HierarchicalLevel::address(unsigned long) –> class utility::vector1<unsigned long, class std::allocator<unsigned long> > &

address_exists_in_cache(self: pyrosetta.rosetta.protocols.canonical_sampling.mc_convergence_checks.HierarchicalLevel, addr: pyrosetta.rosetta.utility.vector1_unsigned_long) → bool

C++: protocols::canonical_sampling::mc_convergence_checks::HierarchicalLevel::address_exists_in_cache(class utility::vector1<unsigned long, class std::allocator<unsigned long> > &) –> bool

assign(self: pyrosetta.rosetta.protocols.canonical_sampling.mc_convergence_checks.Pool_RMSD, : pyrosetta.rosetta.protocols.canonical_sampling.mc_convergence_checks.Pool_RMSD) → pyrosetta.rosetta.protocols.canonical_sampling.mc_convergence_checks.Pool_RMSD

C++: protocols::canonical_sampling::mc_convergence_checks::Pool_RMSD::operator=(const class protocols::canonical_sampling::mc_convergence_checks::Pool_RMSD &) –> class protocols::canonical_sampling::mc_convergence_checks::Pool_RMSD &

clear(self: pyrosetta.rosetta.protocols.canonical_sampling.mc_convergence_checks.HierarchicalLevel) → None

C++: protocols::canonical_sampling::mc_convergence_checks::HierarchicalLevel::clear() –> void

debug_print_addresses(self: pyrosetta.rosetta.protocols.canonical_sampling.mc_convergence_checks.HierarchicalLevel) → None

C++: protocols::canonical_sampling::mc_convergence_checks::HierarchicalLevel::debug_print_addresses() –> void

debug_print_hierarchy(self: pyrosetta.rosetta.protocols.canonical_sampling.mc_convergence_checks.HierarchicalLevel) → None

C++: protocols::canonical_sampling::mc_convergence_checks::HierarchicalLevel::debug_print_hierarchy() –> void

debug_print_size_per_level(self: pyrosetta.rosetta.protocols.canonical_sampling.mc_convergence_checks.HierarchicalLevel) → None

C++: protocols::canonical_sampling::mc_convergence_checks::HierarchicalLevel::debug_print_size_per_level() –> void

equal_addresses(self: pyrosetta.rosetta.protocols.canonical_sampling.mc_convergence_checks.HierarchicalLevel, address1: pyrosetta.rosetta.utility.vector1_unsigned_long, address2: pyrosetta.rosetta.utility.vector1_unsigned_long) → bool

C++: protocols::canonical_sampling::mc_convergence_checks::HierarchicalLevel::equal_addresses(class utility::vector1<unsigned long, class std::allocator<unsigned long> > &, class utility::vector1<unsigned long, class std::allocator<unsigned long> > &) –> bool

evaluate(*args, **kwargs)

Overloaded function.

1. evaluate(self: pyrosetta.rosetta.protocols.canonical_sampling.mc_convergence_checks.HierarchicalLevel, pose: pyrosetta.rosetta.core.pose.Pose, best_decoy: str, best_rmsd: pyrosetta.rosetta.utility.vector1_double, address: pyrosetta.rosetta.utility.vector1_unsigned_long) -> int

C++: protocols::canonical_sampling::mc_convergence_checks::HierarchicalLevel::evaluate(const class core::pose::Pose &, std::string &, class utility::vector1<double, class std::allocator<double> > &, class utility::vector1<unsigned long, class std::allocator<unsigned long> > &) –> unsigned long

2. evaluate(self: pyrosetta.rosetta.protocols.canonical_sampling.mc_convergence_checks.HierarchicalLevel, : pyrosetta.rosetta.core.io.silent.SilentStruct, best_decoy: str, best_rmsd: pyrosetta.rosetta.utility.vector1_double, address: pyrosetta.rosetta.utility.vector1_unsigned_long) -> int

C++: protocols::canonical_sampling::mc_convergence_checks::HierarchicalLevel::evaluate(const class core::io::silent::SilentStruct &, std::string &, class utility::vector1<double, class std::allocator<double> > &, class utility::vector1<unsigned long, class std::allocator<unsigned long> > &) –> unsigned long

3. evaluate(self: pyrosetta.rosetta.protocols.canonical_sampling.mc_convergence_checks.HierarchicalLevel, : pyrosetta.rosetta.ObjexxFCL.FArray2D_double_t, best_decoy: str, best_rmsd: pyrosetta.rosetta.utility.vector1_double, address: pyrosetta.rosetta.utility.vector1_unsigned_long) -> int

C++: protocols::canonical_sampling::mc_convergence_checks::HierarchicalLevel::evaluate(class ObjexxFCL::FArray2D<double> &, std::string &, class utility::vector1<double, class std::allocator<double> > &, class utility::vector1<unsigned long, class std::allocator<unsigned long> > &) –> unsigned long

4. evaluate(self: pyrosetta.rosetta.protocols.canonical_sampling.mc_convergence_checks.HierarchicalLevel, : pyrosetta.rosetta.ObjexxFCL.FArray2D_double_t, best_decoy: str, best_rmsd: pyrosetta.rosetta.utility.vector1_double, address: pyrosetta.rosetta.utility.vector1_unsigned_long, reset_all_levels: bool, load_if_missing: bool) -> int

C++: protocols::canonical_sampling::mc_convergence_checks::HierarchicalLevel::evaluate(class ObjexxFCL::FArray2D<double> &, std::string &, class utility::vector1<double, class std::allocator<double> > &, class utility::vector1<unsigned long, class std::allocator<unsigned long> > &, bool, bool) –> unsigned long

evaluate_and_add(*args, **kwargs)

Overloaded function.

1. evaluate_and_add(self: pyrosetta.rosetta.protocols.canonical_sampling.mc_convergence_checks.Pool_RMSD, pose: pyrosetta.rosetta.core.pose.Pose, cluster_center: str, best_rmsd: float, transition_threshold: float) -> int

C++: protocols::canonical_sampling::mc_convergence_checks::Pool_RMSD::evaluate_and_add(const class core::pose::Pose &, std::string &, double &, double) –> unsigned long

2. evaluate_and_add(self: pyrosetta.rosetta.protocols.canonical_sampling.mc_convergence_checks.Pool_RMSD, coords: pyrosetta.rosetta.ObjexxFCL.FArray2D_double_t, best_decoy: str, best_rmsd: float, transition_threshold: float) -> int

C++: protocols::canonical_sampling::mc_convergence_checks::Pool_RMSD::evaluate_and_add(class ObjexxFCL::FArray2D<double> &, std::string &, double &, double) –> unsigned long

filename(self: pyrosetta.rosetta.protocols.canonical_sampling.mc_convergence_checks.HierarchicalLevel) → str

C++: protocols::canonical_sampling::mc_convergence_checks::HierarchicalLevel::filename() –> std::string &

fill_top_level(self: pyrosetta.rosetta.protocols.canonical_sampling.mc_convergence_checks.HierarchicalLevel, top_level_pool: pyrosetta.rosetta.protocols.canonical_sampling.mc_convergence_checks.Pool_RMSD) → None

C++: protocols::canonical_sampling::mc_convergence_checks::HierarchicalLevel::fill_top_level(class std::shared_ptr<class protocols::canonical_sampling::mc_convergence_checks::Pool_RMSD> &) –> void

finalize(self: pyrosetta.rosetta.protocols.canonical_sampling.mc_convergence_checks.Pool_RMSD) → None

C++: protocols::canonical_sampling::mc_convergence_checks::Pool_RMSD::finalize() –> void

first_zero_pos(self: pyrosetta.rosetta.protocols.canonical_sampling.mc_convergence_checks.HierarchicalLevel, address: pyrosetta.rosetta.utility.vector1_unsigned_long) → int

C++: protocols::canonical_sampling::mc_convergence_checks::HierarchicalLevel::first_zero_pos(class utility::vector1<unsigned long, class std::allocator<unsigned long> > &) –> unsigned long

get(self: pyrosetta.rosetta.protocols.canonical_sampling.mc_convergence_checks.Pool_RMSD, index: int, result: pyrosetta.rosetta.ObjexxFCL.FArray2D_double_t) → None

C++: protocols::canonical_sampling::mc_convergence_checks::Pool_RMSD::get(unsigned long, class ObjexxFCL::FArray2D<double> &) –> void

get_addresses_at_level(self: pyrosetta.rosetta.protocols.canonical_sampling.mc_convergence_checks.HierarchicalLevel, : pyrosetta.rosetta.utility.vector1_utility_vector1_unsigned_long_std_allocator_unsigned_long_t) → None

C++: protocols::canonical_sampling::mc_convergence_checks::HierarchicalLevel::get_addresses_at_level(class utility::vector1<class utility::vector1<unsigned long, class std::allocator<unsigned long> >, class std::allocator<class utility::vector1<unsigned long, class std::allocator<unsigned long> > > > &) –> void

get_tag(self: pyrosetta.rosetta.protocols.canonical_sampling.mc_convergence_checks.Pool_RMSD, index: int) → str

C++: protocols::canonical_sampling::mc_convergence_checks::Pool_RMSD::get_tag(unsigned long) –> std::string &

has_next_level(self: pyrosetta.rosetta.protocols.canonical_sampling.mc_convergence_checks.HierarchicalLevel) → bool

C++: protocols::canonical_sampling::mc_convergence_checks::HierarchicalLevel::has_next_level() –> bool

level(self: pyrosetta.rosetta.protocols.canonical_sampling.mc_convergence_checks.HierarchicalLevel) → int

C++: protocols::canonical_sampling::mc_convergence_checks::HierarchicalLevel::level() –> unsigned long

level_radius(self: pyrosetta.rosetta.protocols.canonical_sampling.mc_convergence_checks.HierarchicalLevel, level: int) → float

C++: protocols::canonical_sampling::mc_convergence_checks::HierarchicalLevel::level_radius(unsigned long) –> double

level_size(self: pyrosetta.rosetta.protocols.canonical_sampling.mc_convergence_checks.HierarchicalLevel, level: int) → int

C++: protocols::canonical_sampling::mc_convergence_checks::HierarchicalLevel::level_size(unsigned long) –> unsigned long

lib_full_path(self: pyrosetta.rosetta.protocols.canonical_sampling.mc_convergence_checks.HierarchicalLevel, address: pyrosetta.rosetta.utility.vector1_unsigned_long) → str

C++: protocols::canonical_sampling::mc_convergence_checks::HierarchicalLevel::lib_full_path(class utility::vector1<unsigned long, class std::allocator<unsigned long> > &) –> std::string

max_cache_size(*args, **kwargs)

Overloaded function.

1. max_cache_size(self: pyrosetta.rosetta.protocols.canonical_sampling.mc_convergence_checks.HierarchicalLevel, max_size: int) -> None

C++: protocols::canonical_sampling::mc_convergence_checks::HierarchicalLevel::max_cache_size(unsigned long) –> void

2. max_cache_size(self: pyrosetta.rosetta.protocols.canonical_sampling.mc_convergence_checks.HierarchicalLevel) -> int

C++: protocols::canonical_sampling::mc_convergence_checks::HierarchicalLevel::max_cache_size() –> unsigned long

next_level(self: pyrosetta.rosetta.protocols.canonical_sampling.mc_convergence_checks.HierarchicalLevel) → pyrosetta.rosetta.protocols.canonical_sampling.mc_convergence_checks.HierarchicalLevel

C++: protocols::canonical_sampling::mc_convergence_checks::HierarchicalLevel::next_level() –> class std::shared_ptr<class protocols::canonical_sampling::mc_convergence_checks::HierarchicalLevel>

nlevels(self: pyrosetta.rosetta.protocols.canonical_sampling.mc_convergence_checks.HierarchicalLevel) → int

C++: protocols::canonical_sampling::mc_convergence_checks::HierarchicalLevel::nlevels() –> unsigned long

pool_exists(self: pyrosetta.rosetta.protocols.canonical_sampling.mc_convergence_checks.HierarchicalLevel, address: pyrosetta.rosetta.utility.vector1_unsigned_long) → bool

C++: protocols::canonical_sampling::mc_convergence_checks::HierarchicalLevel::pool_exists(class utility::vector1<unsigned long, class std::allocator<unsigned long> > &) –> bool

pool_size(self: pyrosetta.rosetta.protocols.canonical_sampling.mc_convergence_checks.HierarchicalLevel, address: pyrosetta.rosetta.utility.vector1_unsigned_long, level: int) → int

C++: protocols::canonical_sampling::mc_convergence_checks::HierarchicalLevel::pool_size(class utility::vector1<unsigned long, class std::allocator<unsigned long> > &, unsigned long) –> unsigned long

pop_back(self: pyrosetta.rosetta.protocols.canonical_sampling.mc_convergence_checks.Pool_RMSD) → None

C++: protocols::canonical_sampling::mc_convergence_checks::Pool_RMSD::pop_back() –> void

print_addresses_at_level(self: pyrosetta.rosetta.protocols.canonical_sampling.mc_convergence_checks.HierarchicalLevel) → None

C++: protocols::canonical_sampling::mc_convergence_checks::HierarchicalLevel::print_addresses_at_level() –> void

radius(*args, **kwargs)

Overloaded function.

1. radius(self: pyrosetta.rosetta.protocols.canonical_sampling.mc_convergence_checks.HierarchicalLevel, radius: float) -> None

C++: protocols::canonical_sampling::mc_convergence_checks::HierarchicalLevel::radius(double) –> void

2. radius(self: pyrosetta.rosetta.protocols.canonical_sampling.mc_convergence_checks.HierarchicalLevel) -> float

C++: protocols::canonical_sampling::mc_convergence_checks::HierarchicalLevel::radius() –> double

round(self: pyrosetta.rosetta.protocols.canonical_sampling.mc_convergence_checks.HierarchicalLevel, rmsd: float) → None

C++: protocols::canonical_sampling::mc_convergence_checks::HierarchicalLevel::round(double &) –> void

set_excluded_residues(self: pyrosetta.rosetta.protocols.canonical_sampling.mc_convergence_checks.Pool_RMSD, excluded_residues: pyrosetta.rosetta.utility.vector1_unsigned_long) → None

C++: protocols::canonical_sampling::mc_convergence_checks::Pool_RMSD::set_excluded_residues(const class utility::vector1<unsigned long, class std::allocator<unsigned long> > &) –> void

set_reserve_size(self: pyrosetta.rosetta.protocols.canonical_sampling.mc_convergence_checks.Pool_RMSD, max_size: int) → None

C++: protocols::canonical_sampling::mc_convergence_checks::Pool_RMSD::set_reserve_size(int) –> void

size(self: pyrosetta.rosetta.protocols.canonical_sampling.mc_convergence_checks.HierarchicalLevel) → int

C++: protocols::canonical_sampling::mc_convergence_checks::HierarchicalLevel::size() –> unsigned long

test_round(self: pyrosetta.rosetta.protocols.canonical_sampling.mc_convergence_checks.HierarchicalLevel) → None

C++: protocols::canonical_sampling::mc_convergence_checks::HierarchicalLevel::test_round() –> void

top_level_pool_size(self: pyrosetta.rosetta.protocols.canonical_sampling.mc_convergence_checks.HierarchicalLevel) → int

C++: protocols::canonical_sampling::mc_convergence_checks::HierarchicalLevel::top_level_pool_size() –> unsigned long

write_headers_to_hierarchy(self: pyrosetta.rosetta.protocols.canonical_sampling.mc_convergence_checks.HierarchicalLevel, ss: pyrosetta.rosetta.core.io.silent.SilentStruct) → None

C++: protocols::canonical_sampling::mc_convergence_checks::HierarchicalLevel::write_headers_to_hierarchy(class std::shared_ptr<class core::io::silent::SilentStruct> &) –> void

class pyrosetta.rosetta.protocols.canonical_sampling.mc_convergence_checks.PoolData

Bases: pybind11_object

property address_

property nlevels_

property pool_

setup(self: pyrosetta.rosetta.protocols.canonical_sampling.mc_convergence_checks.PoolData, nlevels: int) → None

C++: protocols::canonical_sampling::mc_convergence_checks::PoolData::setup(unsigned long) –> void

class pyrosetta.rosetta.protocols.canonical_sampling.mc_convergence_checks.Pool_ConvergenceCheck

Bases: MonteCarloExceptionConverge

assign(self: pyrosetta.rosetta.protocols.canonical_sampling.mc_convergence_checks.Pool_ConvergenceCheck, : pyrosetta.rosetta.protocols.canonical_sampling.mc_convergence_checks.Pool_ConvergenceCheck) → pyrosetta.rosetta.protocols.canonical_sampling.mc_convergence_checks.Pool_ConvergenceCheck

C++: protocols::canonical_sampling::mc_convergence_checks::Pool_ConvergenceCheck::operator=(const class protocols::canonical_sampling::mc_convergence_checks::Pool_ConvergenceCheck &) –> class protocols::canonical_sampling::mc_convergence_checks::Pool_ConvergenceCheck &

class pyrosetta.rosetta.protocols.canonical_sampling.mc_convergence_checks.Pool_Evaluator

Bases: PoseEvaluator

applicable(self: pyrosetta.rosetta.protocols.evaluation.PoseEvaluator, : pyrosetta.rosetta.core.pose.Pose) → bool

C++: protocols::evaluation::PoseEvaluator::applicable(const class core::pose::Pose &) const –> bool

apply(*args, **kwargs)

Overloaded function.

1. apply(self: pyrosetta.rosetta.protocols.canonical_sampling.mc_convergence_checks.Pool_Evaluator, : pyrosetta.rosetta.core.pose.Pose, tag: str, pss: pyrosetta.rosetta.core.io.silent.SilentStruct) -> None

evaluate pose and store values in Silent_Struct

C++: protocols::canonical_sampling::mc_convergence_checks::Pool_Evaluator::apply(class core::pose::Pose &, std::string, class core::io::silent::SilentStruct &) const –> void

2. apply(self: pyrosetta.rosetta.protocols.canonical_sampling.mc_convergence_checks.Pool_Evaluator, pss: pyrosetta.rosetta.core.io.silent.SilentStruct) -> None

C++: protocols::canonical_sampling::mc_convergence_checks::Pool_Evaluator::apply(class core::io::silent::SilentStruct &) const –> void

assign(self: pyrosetta.rosetta.protocols.canonical_sampling.mc_convergence_checks.Pool_Evaluator, : pyrosetta.rosetta.protocols.canonical_sampling.mc_convergence_checks.Pool_Evaluator) → pyrosetta.rosetta.protocols.canonical_sampling.mc_convergence_checks.Pool_Evaluator

C++: protocols::canonical_sampling::mc_convergence_checks::Pool_Evaluator::operator=(const class protocols::canonical_sampling::mc_convergence_checks::Pool_Evaluator &) –> class protocols::canonical_sampling::mc_convergence_checks::Pool_Evaluator &

name(self: pyrosetta.rosetta.protocols.canonical_sampling.mc_convergence_checks.Pool_Evaluator, i: int) → str

C++: protocols::canonical_sampling::mc_convergence_checks::Pool_Evaluator::name(unsigned long) const –> std::string

size(self: pyrosetta.rosetta.protocols.canonical_sampling.mc_convergence_checks.Pool_Evaluator) → int

C++: protocols::canonical_sampling::mc_convergence_checks::Pool_Evaluator::size() const –> unsigned long

class pyrosetta.rosetta.protocols.canonical_sampling.mc_convergence_checks.Pool_RMSD

Bases: pybind11_object

add(*args, **kwargs)

Overloaded function.

1. add(self: pyrosetta.rosetta.protocols.canonical_sampling.mc_convergence_checks.Pool_RMSD, : pyrosetta.rosetta.core.io.silent.SilentStruct) -> None

2. add(self: pyrosetta.rosetta.protocols.canonical_sampling.mc_convergence_checks.Pool_RMSD, : pyrosetta.rosetta.core.io.silent.SilentStruct, new_tag: str) -> None

C++: protocols::canonical_sampling::mc_convergence_checks::Pool_RMSD::add(const class core::io::silent::SilentStruct &, std::string) –> void

3. add(self: pyrosetta.rosetta.protocols.canonical_sampling.mc_convergence_checks.Pool_RMSD, : pyrosetta.rosetta.core.pose.Pose, new_tag: str) -> None

C++: protocols::canonical_sampling::mc_convergence_checks::Pool_RMSD::add(const class core::pose::Pose &, std::string) –> void

4. add(self: pyrosetta.rosetta.protocols.canonical_sampling.mc_convergence_checks.Pool_RMSD, : pyrosetta.rosetta.ObjexxFCL.FArray2D_double_t, nres: int, new_tag: str) -> None

C++: protocols::canonical_sampling::mc_convergence_checks::Pool_RMSD::add(const class ObjexxFCL::FArray2D<double> &, unsigned long, std::string) –> void

assign(self: pyrosetta.rosetta.protocols.canonical_sampling.mc_convergence_checks.Pool_RMSD, : pyrosetta.rosetta.protocols.canonical_sampling.mc_convergence_checks.Pool_RMSD) → pyrosetta.rosetta.protocols.canonical_sampling.mc_convergence_checks.Pool_RMSD

C++: protocols::canonical_sampling::mc_convergence_checks::Pool_RMSD::operator=(const class protocols::canonical_sampling::mc_convergence_checks::Pool_RMSD &) –> class protocols::canonical_sampling::mc_convergence_checks::Pool_RMSD &

clear(self: pyrosetta.rosetta.protocols.canonical_sampling.mc_convergence_checks.Pool_RMSD) → None

C++: protocols::canonical_sampling::mc_convergence_checks::Pool_RMSD::clear() –> void

evaluate(*args, **kwargs)

Overloaded function.

1. evaluate(self: pyrosetta.rosetta.protocols.canonical_sampling.mc_convergence_checks.Pool_RMSD, : pyrosetta.rosetta.core.pose.Pose, best_decoy: str, best_rmsd: float) -> int

return position in pool for the best_decoy

C++: protocols::canonical_sampling::mc_convergence_checks::Pool_RMSD::evaluate(const class core::pose::Pose &, std::string &, double &) const –> unsigned long

2. evaluate(self: pyrosetta.rosetta.protocols.canonical_sampling.mc_convergence_checks.Pool_RMSD, : pyrosetta.rosetta.core.io.silent.SilentStruct, best_decoy: str, best_rmsd: float) -> int

C++: protocols::canonical_sampling::mc_convergence_checks::Pool_RMSD::evaluate(const class core::io::silent::SilentStruct &, std::string &, double &) const –> unsigned long

3. evaluate(self: pyrosetta.rosetta.protocols.canonical_sampling.mc_convergence_checks.Pool_RMSD, : pyrosetta.rosetta.ObjexxFCL.FArray2D_double_t, best_decoy: str, best_rmsd: float) -> int

C++: protocols::canonical_sampling::mc_convergence_checks::Pool_RMSD::evaluate(class ObjexxFCL::FArray2D<double> &, std::string &, double &) const –> unsigned long

4. evaluate(self: pyrosetta.rosetta.protocols.canonical_sampling.mc_convergence_checks.Pool_RMSD, : pyrosetta.rosetta.ObjexxFCL.FArray2D_double_t, best_decoy: str, best_rmsd: float, index: int) -> int

C++: protocols::canonical_sampling::mc_convergence_checks::Pool_RMSD::evaluate(class ObjexxFCL::FArray2D<double> &, std::string &, double &, unsigned long) const –> unsigned long

evaluate_and_add(*args, **kwargs)

Overloaded function.

1. evaluate_and_add(self: pyrosetta.rosetta.protocols.canonical_sampling.mc_convergence_checks.Pool_RMSD, pose: pyrosetta.rosetta.core.pose.Pose, cluster_center: str, best_rmsd: float, transition_threshold: float) -> int

C++: protocols::canonical_sampling::mc_convergence_checks::Pool_RMSD::evaluate_and_add(const class core::pose::Pose &, std::string &, double &, double) –> unsigned long

2. evaluate_and_add(self: pyrosetta.rosetta.protocols.canonical_sampling.mc_convergence_checks.Pool_RMSD, coords: pyrosetta.rosetta.ObjexxFCL.FArray2D_double_t, best_decoy: str, best_rmsd: float, transition_threshold: float) -> int

C++: protocols::canonical_sampling::mc_convergence_checks::Pool_RMSD::evaluate_and_add(class ObjexxFCL::FArray2D<double> &, std::string &, double &, double) –> unsigned long

finalize(self: pyrosetta.rosetta.protocols.canonical_sampling.mc_convergence_checks.Pool_RMSD) → None

C++: protocols::canonical_sampling::mc_convergence_checks::Pool_RMSD::finalize() –> void

get(self: pyrosetta.rosetta.protocols.canonical_sampling.mc_convergence_checks.Pool_RMSD, index: int, result: pyrosetta.rosetta.ObjexxFCL.FArray2D_double_t) → None

C++: protocols::canonical_sampling::mc_convergence_checks::Pool_RMSD::get(unsigned long, class ObjexxFCL::FArray2D<double> &) –> void

get_tag(self: pyrosetta.rosetta.protocols.canonical_sampling.mc_convergence_checks.Pool_RMSD, index: int) → str

C++: protocols::canonical_sampling::mc_convergence_checks::Pool_RMSD::get_tag(unsigned long) –> std::string &

pop_back(self: pyrosetta.rosetta.protocols.canonical_sampling.mc_convergence_checks.Pool_RMSD) → None

C++: protocols::canonical_sampling::mc_convergence_checks::Pool_RMSD::pop_back() –> void

set_excluded_residues(self: pyrosetta.rosetta.protocols.canonical_sampling.mc_convergence_checks.Pool_RMSD, excluded_residues: pyrosetta.rosetta.utility.vector1_unsigned_long) → None

C++: protocols::canonical_sampling::mc_convergence_checks::Pool_RMSD::set_excluded_residues(const class utility::vector1<unsigned long, class std::allocator<unsigned long> > &) –> void

set_reserve_size(self: pyrosetta.rosetta.protocols.canonical_sampling.mc_convergence_checks.Pool_RMSD, max_size: int) → None

C++: protocols::canonical_sampling::mc_convergence_checks::Pool_RMSD::set_reserve_size(int) –> void

size(self: pyrosetta.rosetta.protocols.canonical_sampling.mc_convergence_checks.Pool_RMSD) → int

C++: protocols::canonical_sampling::mc_convergence_checks::Pool_RMSD::size() const –> unsigned long

pyrosetta.rosetta.protocols.canonical_sampling.mc_convergence_checks.lib_full_path(tag: str) → str

C++: protocols::canonical_sampling::mc_convergence_checks::lib_full_path(const std::string &) –> std::string

pyrosetta.rosetta.protocols.canonical_sampling.mc_convergence_checks.setup_convergence_checks_from_cmdline(mc: pyrosetta.rosetta.protocols.moves.MonteCarlo) → None

C++: protocols::canonical_sampling::mc_convergence_checks::setup_convergence_checks_from_cmdline(class protocols::moves::MonteCarlo &) –> void