simple_ddg

Bindings for protocols::simple_ddg namespace

class pyrosetta.rosetta.protocols.simple_ddg.AlaScan

Bases: Filter

apply(self: pyrosetta.rosetta.protocols.simple_ddg.AlaScan, : pyrosetta.rosetta.core.pose.Pose) → bool

C++: protocols::simple_ddg::AlaScan::apply(const class core::pose::Pose &) const –> bool

chain1(*args, **kwargs)

Overloaded function.

  1. chain1(self: pyrosetta.rosetta.protocols.simple_ddg.AlaScan, c1: bool) -> None

C++: protocols::simple_ddg::AlaScan::chain1(const bool) –> void

  1. chain1(self: pyrosetta.rosetta.protocols.simple_ddg.AlaScan) -> bool

C++: protocols::simple_ddg::AlaScan::chain1() const –> bool

chain2(*args, **kwargs)

Overloaded function.

  1. chain2(self: pyrosetta.rosetta.protocols.simple_ddg.AlaScan, c2: bool) -> None

C++: protocols::simple_ddg::AlaScan::chain2(const bool) –> void

  1. chain2(self: pyrosetta.rosetta.protocols.simple_ddg.AlaScan) -> bool

C++: protocols::simple_ddg::AlaScan::chain2() const –> bool

static class_name() → str

C++: protocols::simple_ddg::AlaScan::class_name() –> std::string

clear(self: pyrosetta.rosetta.protocols.filters.Filter) → None

used to clear internal variables if needed. Using fresh_instance is preferred since it’s a pure virtual

C++: protocols::filters::Filter::clear() –> void

clone(self: pyrosetta.rosetta.protocols.simple_ddg.AlaScan) → pyrosetta.rosetta.protocols.filters.Filter

C++: protocols::simple_ddg::AlaScan::clone() const –> class std::shared_ptr<class protocols::filters::Filter>

ddG_for_single_residue(self: pyrosetta.rosetta.protocols.simple_ddg.AlaScan, pose: pyrosetta.rosetta.core.pose.Pose, resi: int) → float

C++: protocols::simple_ddg::AlaScan::ddG_for_single_residue(const class core::pose::Pose &, const unsigned long) const –> double

dist(*args, **kwargs)

Overloaded function.

  1. dist(self: pyrosetta.rosetta.protocols.simple_ddg.AlaScan, d: float) -> None

C++: protocols::simple_ddg::AlaScan::dist(const double) –> void

  1. dist(self: pyrosetta.rosetta.protocols.simple_ddg.AlaScan) -> float

C++: protocols::simple_ddg::AlaScan::dist() const –> double

fresh_instance(self: pyrosetta.rosetta.protocols.simple_ddg.AlaScan) → pyrosetta.rosetta.protocols.filters.Filter

C++: protocols::simple_ddg::AlaScan::fresh_instance() const –> class std::shared_ptr<class protocols::filters::Filter>

get_type(self: pyrosetta.rosetta.protocols.filters.Filter) → str

C++: protocols::filters::Filter::get_type() const –> std::string

get_user_defined_name(self: pyrosetta.rosetta.protocols.filters.Filter) → str

C++: protocols::filters::Filter::get_user_defined_name() const –> std::string

jump(*args, **kwargs)

Overloaded function.

  1. jump(self: pyrosetta.rosetta.protocols.simple_ddg.AlaScan) -> int

C++: protocols::simple_ddg::AlaScan::jump() const –> unsigned long

  1. jump(self: pyrosetta.rosetta.protocols.simple_ddg.AlaScan, j: int) -> None

C++: protocols::simple_ddg::AlaScan::jump(const unsigned long) –> void

name(self: pyrosetta.rosetta.protocols.simple_ddg.AlaScan) → str

C++: protocols::simple_ddg::AlaScan::name() const –> std::string

parse_my_tag(self: pyrosetta.rosetta.protocols.simple_ddg.AlaScan, tag: pyrosetta.rosetta.utility.tag.Tag, : pyrosetta.rosetta.basic.datacache.DataMap) → None

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

provide_citation_info(self: pyrosetta.rosetta.protocols.filters.Filter, : pyrosetta.rosetta.basic.citation_manager.CitationCollectionList) → None
Provide citations to the passed CitationCollectionList

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

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

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

static provide_xml_schema(xsd: pyrosetta.rosetta.utility.tag.XMLSchemaDefinition) → None

C++: protocols::simple_ddg::AlaScan::provide_xml_schema(class utility::tag::XMLSchemaDefinition &) –> void

repack(*args, **kwargs)

Overloaded function.

  1. repack(self: pyrosetta.rosetta.protocols.simple_ddg.AlaScan, repack: bool) -> None

C++: protocols::simple_ddg::AlaScan::repack(const bool) –> void

  1. repack(self: pyrosetta.rosetta.protocols.simple_ddg.AlaScan) -> bool

C++: protocols::simple_ddg::AlaScan::repack() const –> bool

repeats(*args, **kwargs)

Overloaded function.

  1. repeats(self: pyrosetta.rosetta.protocols.simple_ddg.AlaScan) -> int

C++: protocols::simple_ddg::AlaScan::repeats() const –> unsigned long

  1. repeats(self: pyrosetta.rosetta.protocols.simple_ddg.AlaScan, r: int) -> None

C++: protocols::simple_ddg::AlaScan::repeats(const unsigned long) –> void

report(self: pyrosetta.rosetta.protocols.simple_ddg.AlaScan, out: pyrosetta.rosetta.std.ostream, pose: pyrosetta.rosetta.core.pose.Pose) → None

C++: protocols::simple_ddg::AlaScan::report(std::ostream &, const class core::pose::Pose &) const –> void

report_sm(self: pyrosetta.rosetta.protocols.simple_ddg.AlaScan, : pyrosetta.rosetta.core.pose.Pose) → float

C++: protocols::simple_ddg::AlaScan::report_sm(const class core::pose::Pose &) const –> double

report_symmetry(self: pyrosetta.rosetta.protocols.simple_ddg.AlaScan, out: pyrosetta.rosetta.std.ostream, pose: pyrosetta.rosetta.core.pose.Pose) → None

C++: protocols::simple_ddg::AlaScan::report_symmetry(std::ostream &, const class core::pose::Pose &) const –> void

score(self: pyrosetta.rosetta.protocols.filters.Filter, pose: pyrosetta.rosetta.core.pose.Pose) → float

C++: protocols::filters::Filter::score(class core::pose::Pose &) –> double

scorefxn(self: pyrosetta.rosetta.protocols.simple_ddg.AlaScan, scorefxn: pyrosetta.rosetta.core.scoring.ScoreFunction) → None

C++: protocols::simple_ddg::AlaScan::scorefxn(class std::shared_ptr<class core::scoring::ScoreFunction>) –> void

set_user_defined_name(self: pyrosetta.rosetta.protocols.filters.Filter, name: str) → None

C++: protocols::filters::Filter::set_user_defined_name(const std::string &) –> void

class pyrosetta.rosetta.protocols.simple_ddg.AlaScanFilterCreator

Bases: FilterCreator

assign(self: pyrosetta.rosetta.protocols.simple_ddg.AlaScanFilterCreator, : pyrosetta.rosetta.protocols.simple_ddg.AlaScanFilterCreator) → pyrosetta.rosetta.protocols.simple_ddg.AlaScanFilterCreator

C++: protocols::simple_ddg::AlaScanFilterCreator::operator=(const class protocols::simple_ddg::AlaScanFilterCreator &) –> class protocols::simple_ddg::AlaScanFilterCreator &

create_filter(self: pyrosetta.rosetta.protocols.simple_ddg.AlaScanFilterCreator) → pyrosetta.rosetta.protocols.filters.Filter

C++: protocols::simple_ddg::AlaScanFilterCreator::create_filter() const –> class std::shared_ptr<class protocols::filters::Filter>

keyname(self: pyrosetta.rosetta.protocols.simple_ddg.AlaScanFilterCreator) → str

C++: protocols::simple_ddg::AlaScanFilterCreator::keyname() const –> std::string

provide_xml_schema(self: pyrosetta.rosetta.protocols.simple_ddg.AlaScanFilterCreator, xsd: pyrosetta.rosetta.utility.tag.XMLSchemaDefinition) → None

C++: protocols::simple_ddg::AlaScanFilterCreator::provide_xml_schema(class utility::tag::XMLSchemaDefinition &) const –> void

class pyrosetta.rosetta.protocols.simple_ddg.DdGScan

Bases: Filter

apply(self: pyrosetta.rosetta.protocols.simple_ddg.DdGScan, : pyrosetta.rosetta.core.pose.Pose) → bool

C++: protocols::simple_ddg::DdGScan::apply(const class core::pose::Pose &) const –> bool

static class_name() → str

C++: protocols::simple_ddg::DdGScan::class_name() –> std::string

clear(self: pyrosetta.rosetta.protocols.filters.Filter) → None

used to clear internal variables if needed. Using fresh_instance is preferred since it’s a pure virtual

C++: protocols::filters::Filter::clear() –> void

clone(self: pyrosetta.rosetta.protocols.simple_ddg.DdGScan) → pyrosetta.rosetta.protocols.filters.Filter

C++: protocols::simple_ddg::DdGScan::clone() const –> class std::shared_ptr<class protocols::filters::Filter>

ddG_for_single_residue(self: pyrosetta.rosetta.protocols.simple_ddg.DdGScan, const_pose: pyrosetta.rosetta.core.pose.Pose, resi: int, general_task: pyrosetta.rosetta.core.pack.task.PackerTask, pose_to_mutate: pyrosetta.rosetta.core.pose.Pose) → float

C++: protocols::simple_ddg::DdGScan::ddG_for_single_residue(const class core::pose::Pose &, const unsigned long, const class std::shared_ptr<class core::pack::task::PackerTask>, class core::pose::Pose &) const –> double

ddG_mover(*args, **kwargs)

Overloaded function.

  1. ddG_mover(self: pyrosetta.rosetta.protocols.simple_ddg.DdGScan, ddG_mover_op: protocols::simple_ddg::ddG) -> None

C++: protocols::simple_ddg::DdGScan::ddG_mover(const class std::shared_ptr<class protocols::simple_ddg::ddG>) –> void

  1. ddG_mover(self: pyrosetta.rosetta.protocols.simple_ddg.DdGScan) -> protocols::simple_ddg::ddG

C++: protocols::simple_ddg::DdGScan::ddG_mover() const –> class std::shared_ptr<class protocols::simple_ddg::ddG>

fresh_instance(self: pyrosetta.rosetta.protocols.simple_ddg.DdGScan) → pyrosetta.rosetta.protocols.filters.Filter

C++: protocols::simple_ddg::DdGScan::fresh_instance() const –> class std::shared_ptr<class protocols::filters::Filter>

get_type(self: pyrosetta.rosetta.protocols.filters.Filter) → str

C++: protocols::filters::Filter::get_type() const –> std::string

get_user_defined_name(self: pyrosetta.rosetta.protocols.filters.Filter) → str

C++: protocols::filters::Filter::get_user_defined_name() const –> std::string

initialize(self: pyrosetta.rosetta.protocols.simple_ddg.DdGScan) → None

C++: protocols::simple_ddg::DdGScan::initialize() –> void

name(self: pyrosetta.rosetta.protocols.simple_ddg.DdGScan) → str

C++: protocols::simple_ddg::DdGScan::name() const –> std::string

parse_my_tag(self: pyrosetta.rosetta.protocols.simple_ddg.DdGScan, tag: pyrosetta.rosetta.utility.tag.Tag, : pyrosetta.rosetta.basic.datacache.DataMap) → None

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

provide_citation_info(self: pyrosetta.rosetta.protocols.filters.Filter, : pyrosetta.rosetta.basic.citation_manager.CitationCollectionList) → None
Provide citations to the passed CitationCollectionList

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

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

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

static provide_xml_schema(xsd: pyrosetta.rosetta.utility.tag.XMLSchemaDefinition) → None

C++: protocols::simple_ddg::DdGScan::provide_xml_schema(class utility::tag::XMLSchemaDefinition &) –> void

repeats(*args, **kwargs)

Overloaded function.

  1. repeats(self: pyrosetta.rosetta.protocols.simple_ddg.DdGScan, r: int) -> None

C++: protocols::simple_ddg::DdGScan::repeats(const unsigned long) –> void

  1. repeats(self: pyrosetta.rosetta.protocols.simple_ddg.DdGScan) -> int

C++: protocols::simple_ddg::DdGScan::repeats() const –> unsigned long

report(self: pyrosetta.rosetta.protocols.simple_ddg.DdGScan, out: pyrosetta.rosetta.std.ostream, pose: pyrosetta.rosetta.core.pose.Pose) → None

C++: protocols::simple_ddg::DdGScan::report(std::ostream &, const class core::pose::Pose &) const –> void

report_diffs(*args, **kwargs)

Overloaded function.

  1. report_diffs(self: pyrosetta.rosetta.protocols.simple_ddg.DdGScan, report_diffs: bool) -> None

C++: protocols::simple_ddg::DdGScan::report_diffs(const bool) –> void

  1. report_diffs(self: pyrosetta.rosetta.protocols.simple_ddg.DdGScan) -> bool

C++: protocols::simple_ddg::DdGScan::report_diffs() const –> bool

report_sm(self: pyrosetta.rosetta.protocols.filters.Filter, : pyrosetta.rosetta.core.pose.Pose) → float

C++: protocols::filters::Filter::report_sm(const class core::pose::Pose &) const –> double

score(self: pyrosetta.rosetta.protocols.filters.Filter, pose: pyrosetta.rosetta.core.pose.Pose) → float

C++: protocols::filters::Filter::score(class core::pose::Pose &) –> double

scorefxn(self: pyrosetta.rosetta.protocols.simple_ddg.DdGScan, scorefxn: pyrosetta.rosetta.core.scoring.ScoreFunction) → None

C++: protocols::simple_ddg::DdGScan::scorefxn(const class std::shared_ptr<class core::scoring::ScoreFunction>) –> void

set_user_defined_name(self: pyrosetta.rosetta.protocols.filters.Filter, name: str) → None

C++: protocols::filters::Filter::set_user_defined_name(const std::string &) –> void

task_factory(*args, **kwargs)

Overloaded function.

  1. task_factory(self: pyrosetta.rosetta.protocols.simple_ddg.DdGScan, task_factory: pyrosetta.rosetta.core.pack.task.TaskFactory) -> None

C++: protocols::simple_ddg::DdGScan::task_factory(class std::shared_ptr<class core::pack::task::TaskFactory>) –> void

  1. task_factory(self: pyrosetta.rosetta.protocols.simple_ddg.DdGScan) -> pyrosetta.rosetta.core.pack.task.TaskFactory

C++: protocols::simple_ddg::DdGScan::task_factory() const –> class std::shared_ptr<class core::pack::task::TaskFactory>

write2pdb(*args, **kwargs)

Overloaded function.

  1. write2pdb(self: pyrosetta.rosetta.protocols.simple_ddg.DdGScan, write: bool) -> None

C++: protocols::simple_ddg::DdGScan::write2pdb(const bool) –> void

  1. write2pdb(self: pyrosetta.rosetta.protocols.simple_ddg.DdGScan) -> bool

C++: protocols::simple_ddg::DdGScan::write2pdb() const –> bool

write_to_pdb(self: pyrosetta.rosetta.protocols.simple_ddg.DdGScan, pose: pyrosetta.rosetta.core.pose.Pose, residue: int, output_resi: int, residue_name: str, ddG: float) → None

C++: protocols::simple_ddg::DdGScan::write_to_pdb(const class core::pose::Pose &, const unsigned long &, const unsigned long &, const std::string &, const double &) const –> void

class pyrosetta.rosetta.protocols.simple_ddg.DdGScanCreator

Bases: FilterCreator

assign(self: pyrosetta.rosetta.protocols.simple_ddg.DdGScanCreator, : pyrosetta.rosetta.protocols.simple_ddg.DdGScanCreator) → pyrosetta.rosetta.protocols.simple_ddg.DdGScanCreator

C++: protocols::simple_ddg::DdGScanCreator::operator=(const class protocols::simple_ddg::DdGScanCreator &) –> class protocols::simple_ddg::DdGScanCreator &

create_filter(self: pyrosetta.rosetta.protocols.simple_ddg.DdGScanCreator) → pyrosetta.rosetta.protocols.filters.Filter

C++: protocols::simple_ddg::DdGScanCreator::create_filter() const –> class std::shared_ptr<class protocols::filters::Filter>

keyname(self: pyrosetta.rosetta.protocols.simple_ddg.DdGScanCreator) → str

C++: protocols::simple_ddg::DdGScanCreator::keyname() const –> std::string

provide_xml_schema(self: pyrosetta.rosetta.protocols.simple_ddg.DdGScanCreator, xsd: pyrosetta.rosetta.utility.tag.XMLSchemaDefinition) → None

C++: protocols::simple_ddg::DdGScanCreator::provide_xml_schema(class utility::tag::XMLSchemaDefinition &) const –> void

class pyrosetta.rosetta.protocols.simple_ddg.DdgFilter

Bases: Filter

apply(self: pyrosetta.rosetta.protocols.simple_ddg.DdgFilter, pose: pyrosetta.rosetta.core.pose.Pose) → bool

C++: protocols::simple_ddg::DdgFilter::apply(const class core::pose::Pose &) const –> bool

static class_name() → str

C++: protocols::simple_ddg::DdgFilter::class_name() –> std::string

clear(self: pyrosetta.rosetta.protocols.filters.Filter) → None

used to clear internal variables if needed. Using fresh_instance is preferred since it’s a pure virtual

C++: protocols::filters::Filter::clear() –> void

clone(self: pyrosetta.rosetta.protocols.simple_ddg.DdgFilter) → pyrosetta.rosetta.protocols.filters.Filter

C++: protocols::simple_ddg::DdgFilter::clone() const –> class std::shared_ptr<class protocols::filters::Filter>

compute(self: pyrosetta.rosetta.protocols.simple_ddg.DdgFilter, pose: pyrosetta.rosetta.core.pose.Pose) → float

C++: protocols::simple_ddg::DdgFilter::compute(const class core::pose::Pose &) const –> double

dump_pdbs(*args, **kwargs)

Overloaded function.

  1. dump_pdbs(self: pyrosetta.rosetta.protocols.simple_ddg.DdgFilter, dp: bool) -> None

C++: protocols::simple_ddg::DdgFilter::dump_pdbs(const bool) –> void

  1. dump_pdbs(self: pyrosetta.rosetta.protocols.simple_ddg.DdgFilter) -> bool

C++: protocols::simple_ddg::DdgFilter::dump_pdbs() const –> bool

extreme_value_removal(*args, **kwargs)

Overloaded function.

  1. extreme_value_removal(self: pyrosetta.rosetta.protocols.simple_ddg.DdgFilter, b: bool) -> None

C++: protocols::simple_ddg::DdgFilter::extreme_value_removal(const bool) –> void

  1. extreme_value_removal(self: pyrosetta.rosetta.protocols.simple_ddg.DdgFilter) -> bool

C++: protocols::simple_ddg::DdgFilter::extreme_value_removal() const –> bool

filter(*args, **kwargs)

Overloaded function.

  1. filter(self: pyrosetta.rosetta.protocols.simple_ddg.DdgFilter, m: pyrosetta.rosetta.protocols.filters.Filter) -> None

C++: protocols::simple_ddg::DdgFilter::filter(class std::shared_ptr<class protocols::filters::Filter>) –> void

  1. filter(self: pyrosetta.rosetta.protocols.simple_ddg.DdgFilter) -> pyrosetta.rosetta.protocols.filters.Filter

C++: protocols::simple_ddg::DdgFilter::filter() const –> class std::shared_ptr<class protocols::filters::Filter>

fresh_instance(self: pyrosetta.rosetta.protocols.simple_ddg.DdgFilter) → pyrosetta.rosetta.protocols.filters.Filter

C++: protocols::simple_ddg::DdgFilter::fresh_instance() const –> class std::shared_ptr<class protocols::filters::Filter>

get_jump_selector(self: pyrosetta.rosetta.protocols.simple_ddg.DdgFilter) → pyrosetta.rosetta.core.select.jump_selector.JumpSelector

C++: protocols::simple_ddg::DdgFilter::get_jump_selector() const –> class std::shared_ptr<const class core::select::jump_selector::JumpSelector>

get_type(self: pyrosetta.rosetta.protocols.filters.Filter) → str

C++: protocols::filters::Filter::get_type() const –> std::string

get_user_defined_name(self: pyrosetta.rosetta.protocols.filters.Filter) → str

C++: protocols::filters::Filter::get_user_defined_name() const –> std::string

name(self: pyrosetta.rosetta.protocols.simple_ddg.DdgFilter) → str

C++: protocols::simple_ddg::DdgFilter::name() const –> std::string

parse_my_tag(self: pyrosetta.rosetta.protocols.simple_ddg.DdgFilter, tag: pyrosetta.rosetta.utility.tag.Tag, : pyrosetta.rosetta.basic.datacache.DataMap) → None

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

provide_citation_info(self: pyrosetta.rosetta.protocols.filters.Filter, : pyrosetta.rosetta.basic.citation_manager.CitationCollectionList) → None
Provide citations to the passed CitationCollectionList

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

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

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

static provide_xml_schema(xsd: pyrosetta.rosetta.utility.tag.XMLSchemaDefinition) → None

C++: protocols::simple_ddg::DdgFilter::provide_xml_schema(class utility::tag::XMLSchemaDefinition &) –> void

relax_bound(*args, **kwargs)

Overloaded function.

  1. relax_bound(self: pyrosetta.rosetta.protocols.simple_ddg.DdgFilter, rlb: bool) -> None

C++: protocols::simple_ddg::DdgFilter::relax_bound(const bool) –> void

  1. relax_bound(self: pyrosetta.rosetta.protocols.simple_ddg.DdgFilter) -> bool

C++: protocols::simple_ddg::DdgFilter::relax_bound() const –> bool

relax_mover(*args, **kwargs)

Overloaded function.

  1. relax_mover(self: pyrosetta.rosetta.protocols.simple_ddg.DdgFilter, m: pyrosetta.rosetta.protocols.moves.Mover) -> None

C++: protocols::simple_ddg::DdgFilter::relax_mover(class std::shared_ptr<class protocols::moves::Mover>) –> void

  1. relax_mover(self: pyrosetta.rosetta.protocols.simple_ddg.DdgFilter) -> pyrosetta.rosetta.protocols.moves.Mover

C++: protocols::simple_ddg::DdgFilter::relax_mover() const –> class std::shared_ptr<class protocols::moves::Mover>

relax_unbound(*args, **kwargs)

Overloaded function.

  1. relax_unbound(self: pyrosetta.rosetta.protocols.simple_ddg.DdgFilter, rlu: bool) -> None

C++: protocols::simple_ddg::DdgFilter::relax_unbound(const bool) –> void

  1. relax_unbound(self: pyrosetta.rosetta.protocols.simple_ddg.DdgFilter) -> bool

C++: protocols::simple_ddg::DdgFilter::relax_unbound() const –> bool

repack(*args, **kwargs)

Overloaded function.

  1. repack(self: pyrosetta.rosetta.protocols.simple_ddg.DdgFilter, repack: bool) -> None

C++: protocols::simple_ddg::DdgFilter::repack(const bool) –> void

  1. repack(self: pyrosetta.rosetta.protocols.simple_ddg.DdgFilter) -> bool

C++: protocols::simple_ddg::DdgFilter::repack() const –> bool

repack_bound(*args, **kwargs)

Overloaded function.

  1. repack_bound(self: pyrosetta.rosetta.protocols.simple_ddg.DdgFilter, rpb: bool) -> None

C++: protocols::simple_ddg::DdgFilter::repack_bound(const bool) –> void

  1. repack_bound(self: pyrosetta.rosetta.protocols.simple_ddg.DdgFilter) -> bool

C++: protocols::simple_ddg::DdgFilter::repack_bound() const –> bool

repack_unbound(*args, **kwargs)

Overloaded function.

  1. repack_unbound(self: pyrosetta.rosetta.protocols.simple_ddg.DdgFilter, rpu: bool) -> None

C++: protocols::simple_ddg::DdgFilter::repack_unbound(const bool) –> void

  1. repack_unbound(self: pyrosetta.rosetta.protocols.simple_ddg.DdgFilter) -> bool

C++: protocols::simple_ddg::DdgFilter::repack_unbound() const –> bool

repeats(*args, **kwargs)

Overloaded function.

  1. repeats(self: pyrosetta.rosetta.protocols.simple_ddg.DdgFilter) -> int

C++: protocols::simple_ddg::DdgFilter::repeats() const –> unsigned long

  1. repeats(self: pyrosetta.rosetta.protocols.simple_ddg.DdgFilter, repeats: int) -> None

C++: protocols::simple_ddg::DdgFilter::repeats(const unsigned long) –> void

report(self: pyrosetta.rosetta.protocols.simple_ddg.DdgFilter, out: pyrosetta.rosetta.std.ostream, pose: pyrosetta.rosetta.core.pose.Pose) → None

C++: protocols::simple_ddg::DdgFilter::report(std::ostream &, const class core::pose::Pose &) const –> void

report_sm(self: pyrosetta.rosetta.protocols.simple_ddg.DdgFilter, pose: pyrosetta.rosetta.core.pose.Pose) → float

C++: protocols::simple_ddg::DdgFilter::report_sm(const class core::pose::Pose &) const –> double

score(self: pyrosetta.rosetta.protocols.filters.Filter, pose: pyrosetta.rosetta.core.pose.Pose) → float

C++: protocols::filters::Filter::score(class core::pose::Pose &) –> double

set_jump_selector(self: pyrosetta.rosetta.protocols.simple_ddg.DdgFilter, sele: pyrosetta.rosetta.core.select.jump_selector.JumpSelector) → None

C++: protocols::simple_ddg::DdgFilter::set_jump_selector(class std::shared_ptr<const class core::select::jump_selector::JumpSelector>) –> void

set_rb_jump(self: pyrosetta.rosetta.protocols.simple_ddg.DdgFilter, setting: int) → None

C++: protocols::simple_ddg::DdgFilter::set_rb_jump(const unsigned long) –> void

set_user_defined_name(self: pyrosetta.rosetta.protocols.filters.Filter, name: str) → None

C++: protocols::filters::Filter::set_user_defined_name(const std::string &) –> void

task_factory(*args, **kwargs)

Overloaded function.

  1. task_factory(self: pyrosetta.rosetta.protocols.simple_ddg.DdgFilter, task_factory: pyrosetta.rosetta.core.pack.task.TaskFactory) -> None

C++: protocols::simple_ddg::DdgFilter::task_factory(class std::shared_ptr<class core::pack::task::TaskFactory>) –> void

  1. task_factory(self: pyrosetta.rosetta.protocols.simple_ddg.DdgFilter) -> pyrosetta.rosetta.core.pack.task.TaskFactory

C++: protocols::simple_ddg::DdgFilter::task_factory() const –> class std::shared_ptr<class core::pack::task::TaskFactory>

translate_by(*args, **kwargs)

Overloaded function.

  1. translate_by(self: pyrosetta.rosetta.protocols.simple_ddg.DdgFilter, translate_by: float) -> None

C++: protocols::simple_ddg::DdgFilter::translate_by(const double) –> void

  1. translate_by(self: pyrosetta.rosetta.protocols.simple_ddg.DdgFilter) -> float

C++: protocols::simple_ddg::DdgFilter::translate_by() const –> double

use_custom_task(*args, **kwargs)

Overloaded function.

  1. use_custom_task(self: pyrosetta.rosetta.protocols.simple_ddg.DdgFilter, uct: bool) -> None

C++: protocols::simple_ddg::DdgFilter::use_custom_task(bool) –> void

  1. use_custom_task(self: pyrosetta.rosetta.protocols.simple_ddg.DdgFilter) -> bool

C++: protocols::simple_ddg::DdgFilter::use_custom_task() const –> bool

class pyrosetta.rosetta.protocols.simple_ddg.DdgFilterCreator

Bases: FilterCreator

assign(self: pyrosetta.rosetta.protocols.simple_ddg.DdgFilterCreator, : pyrosetta.rosetta.protocols.simple_ddg.DdgFilterCreator) → pyrosetta.rosetta.protocols.simple_ddg.DdgFilterCreator

C++: protocols::simple_ddg::DdgFilterCreator::operator=(const class protocols::simple_ddg::DdgFilterCreator &) –> class protocols::simple_ddg::DdgFilterCreator &

create_filter(self: pyrosetta.rosetta.protocols.simple_ddg.DdgFilterCreator) → pyrosetta.rosetta.protocols.filters.Filter

C++: protocols::simple_ddg::DdgFilterCreator::create_filter() const –> class std::shared_ptr<class protocols::filters::Filter>

keyname(self: pyrosetta.rosetta.protocols.simple_ddg.DdgFilterCreator) → str

C++: protocols::simple_ddg::DdgFilterCreator::keyname() const –> std::string

provide_xml_schema(self: pyrosetta.rosetta.protocols.simple_ddg.DdgFilterCreator, xsd: pyrosetta.rosetta.utility.tag.XMLSchemaDefinition) → None

C++: protocols::simple_ddg::DdgFilterCreator::provide_xml_schema(class utility::tag::XMLSchemaDefinition &) const –> void

class pyrosetta.rosetta.protocols.simple_ddg.InterfaceBindingEnergyDensityFilter

Bases: Filter

apply(self: pyrosetta.rosetta.protocols.simple_ddg.InterfaceBindingEnergyDensityFilter, pose: pyrosetta.rosetta.core.pose.Pose) → bool

C++: protocols::simple_ddg::InterfaceBindingEnergyDensityFilter::apply(const class core::pose::Pose &) const –> bool

static class_name() → str

C++: protocols::simple_ddg::InterfaceBindingEnergyDensityFilter::class_name() –> std::string

clear(self: pyrosetta.rosetta.protocols.filters.Filter) → None

used to clear internal variables if needed. Using fresh_instance is preferred since it’s a pure virtual

C++: protocols::filters::Filter::clear() –> void

clone(self: pyrosetta.rosetta.protocols.simple_ddg.InterfaceBindingEnergyDensityFilter) → pyrosetta.rosetta.protocols.filters.Filter

C++: protocols::simple_ddg::InterfaceBindingEnergyDensityFilter::clone() const –> class std::shared_ptr<class protocols::filters::Filter>

compute(self: pyrosetta.rosetta.protocols.simple_ddg.InterfaceBindingEnergyDensityFilter, pose: pyrosetta.rosetta.core.pose.Pose) → float

C++: protocols::simple_ddg::InterfaceBindingEnergyDensityFilter::compute(const class core::pose::Pose &) const –> double

fresh_instance(self: pyrosetta.rosetta.protocols.simple_ddg.InterfaceBindingEnergyDensityFilter) → pyrosetta.rosetta.protocols.filters.Filter

C++: protocols::simple_ddg::InterfaceBindingEnergyDensityFilter::fresh_instance() const –> class std::shared_ptr<class protocols::filters::Filter>

get_type(self: pyrosetta.rosetta.protocols.filters.Filter) → str

C++: protocols::filters::Filter::get_type() const –> std::string

get_user_defined_name(self: pyrosetta.rosetta.protocols.filters.Filter) → str

C++: protocols::filters::Filter::get_user_defined_name() const –> std::string

name(self: pyrosetta.rosetta.protocols.simple_ddg.InterfaceBindingEnergyDensityFilter) → str

C++: protocols::simple_ddg::InterfaceBindingEnergyDensityFilter::name() const –> std::string

parse_my_tag(self: pyrosetta.rosetta.protocols.simple_ddg.InterfaceBindingEnergyDensityFilter, tag: pyrosetta.rosetta.utility.tag.Tag, : pyrosetta.rosetta.basic.datacache.DataMap) → None

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

provide_citation_info(self: pyrosetta.rosetta.protocols.filters.Filter, : pyrosetta.rosetta.basic.citation_manager.CitationCollectionList) → None
Provide citations to the passed CitationCollectionList

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

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

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

static provide_xml_schema(xsd: pyrosetta.rosetta.utility.tag.XMLSchemaDefinition) → None

C++: protocols::simple_ddg::InterfaceBindingEnergyDensityFilter::provide_xml_schema(class utility::tag::XMLSchemaDefinition &) –> void

report(self: pyrosetta.rosetta.protocols.simple_ddg.InterfaceBindingEnergyDensityFilter, out: pyrosetta.rosetta.std.ostream, pose: pyrosetta.rosetta.core.pose.Pose) → None

C++: protocols::simple_ddg::InterfaceBindingEnergyDensityFilter::report(std::ostream &, const class core::pose::Pose &) const –> void

report_sm(self: pyrosetta.rosetta.protocols.simple_ddg.InterfaceBindingEnergyDensityFilter, pose: pyrosetta.rosetta.core.pose.Pose) → float

C++: protocols::simple_ddg::InterfaceBindingEnergyDensityFilter::report_sm(const class core::pose::Pose &) const –> double

score(self: pyrosetta.rosetta.protocols.filters.Filter, pose: pyrosetta.rosetta.core.pose.Pose) → float

C++: protocols::filters::Filter::score(class core::pose::Pose &) –> double

set_ddG_filter(self: pyrosetta.rosetta.protocols.simple_ddg.InterfaceBindingEnergyDensityFilter, ddG_filter: pyrosetta.rosetta.protocols.simple_ddg.DdgFilter) → None

C++: protocols::simple_ddg::InterfaceBindingEnergyDensityFilter::set_ddG_filter(class std::shared_ptr<class protocols::simple_ddg::DdgFilter>) –> void

set_interface_sasa_filter(self: pyrosetta.rosetta.protocols.simple_ddg.InterfaceBindingEnergyDensityFilter, sasa_filter: pyrosetta.rosetta.protocols.simple_filters.InterfaceSasaFilter) → None

C++: protocols::simple_ddg::InterfaceBindingEnergyDensityFilter::set_interface_sasa_filter(class std::shared_ptr<class protocols::simple_filters::InterfaceSasaFilter>) –> void

set_upper_threshold(self: pyrosetta.rosetta.protocols.simple_ddg.InterfaceBindingEnergyDensityFilter, threshold: float) → None

C++: protocols::simple_ddg::InterfaceBindingEnergyDensityFilter::set_upper_threshold(double) –> void

set_user_defined_name(self: pyrosetta.rosetta.protocols.filters.Filter, name: str) → None

C++: protocols::filters::Filter::set_user_defined_name(const std::string &) –> void

class pyrosetta.rosetta.protocols.simple_ddg.InterfaceBindingEnergyDensityFilterCreator

Bases: FilterCreator

assign(self: pyrosetta.rosetta.protocols.simple_ddg.InterfaceBindingEnergyDensityFilterCreator, : pyrosetta.rosetta.protocols.simple_ddg.InterfaceBindingEnergyDensityFilterCreator) → pyrosetta.rosetta.protocols.simple_ddg.InterfaceBindingEnergyDensityFilterCreator

C++: protocols::simple_ddg::InterfaceBindingEnergyDensityFilterCreator::operator=(const class protocols::simple_ddg::InterfaceBindingEnergyDensityFilterCreator &) –> class protocols::simple_ddg::InterfaceBindingEnergyDensityFilterCreator &

create_filter(self: pyrosetta.rosetta.protocols.simple_ddg.InterfaceBindingEnergyDensityFilterCreator) → pyrosetta.rosetta.protocols.filters.Filter

C++: protocols::simple_ddg::InterfaceBindingEnergyDensityFilterCreator::create_filter() const –> class std::shared_ptr<class protocols::filters::Filter>

keyname(self: pyrosetta.rosetta.protocols.simple_ddg.InterfaceBindingEnergyDensityFilterCreator) → str

C++: protocols::simple_ddg::InterfaceBindingEnergyDensityFilterCreator::keyname() const –> std::string

provide_xml_schema(self: pyrosetta.rosetta.protocols.simple_ddg.InterfaceBindingEnergyDensityFilterCreator, xsd: pyrosetta.rosetta.utility.tag.XMLSchemaDefinition) → None

C++: protocols::simple_ddg::InterfaceBindingEnergyDensityFilterCreator::provide_xml_schema(class utility::tag::XMLSchemaDefinition &) const –> void

class pyrosetta.rosetta.protocols.simple_ddg.SSElementBisectddGFilter

Bases: Filter

apply(self: pyrosetta.rosetta.protocols.simple_ddg.SSElementBisectddGFilter, pose: pyrosetta.rosetta.core.pose.Pose) → bool

C++: protocols::simple_ddg::SSElementBisectddGFilter::apply(const class core::pose::Pose &) const –> bool

static class_name() → str

C++: protocols::simple_ddg::SSElementBisectddGFilter::class_name() –> std::string

clear(self: pyrosetta.rosetta.protocols.filters.Filter) → None

used to clear internal variables if needed. Using fresh_instance is preferred since it’s a pure virtual

C++: protocols::filters::Filter::clear() –> void

clone(self: pyrosetta.rosetta.protocols.simple_ddg.SSElementBisectddGFilter) → pyrosetta.rosetta.protocols.filters.Filter

C++: protocols::simple_ddg::SSElementBisectddGFilter::clone() const –> class std::shared_ptr<class protocols::filters::Filter>

compute(self: pyrosetta.rosetta.protocols.simple_ddg.SSElementBisectddGFilter, orig_pose: pyrosetta.rosetta.core.pose.Pose) → float

C++: protocols::simple_ddg::SSElementBisectddGFilter::compute(const class core::pose::Pose &) const –> double

fresh_instance(self: pyrosetta.rosetta.protocols.simple_ddg.SSElementBisectddGFilter) → pyrosetta.rosetta.protocols.filters.Filter

C++: protocols::simple_ddg::SSElementBisectddGFilter::fresh_instance() const –> class std::shared_ptr<class protocols::filters::Filter>

get_ddg_bisect_score(self: pyrosetta.rosetta.protocols.simple_ddg.SSElementBisectddGFilter, element: int, ssElements: pyrosetta.rosetta.protocols.loops.Loops, pose: pyrosetta.rosetta.core.pose.Pose) → float

C++: protocols::simple_ddg::SSElementBisectddGFilter::get_ddg_bisect_score(unsigned long, class protocols::loops::Loops, const class core::pose::Pose &) const –> double

get_ss_elements(self: pyrosetta.rosetta.protocols.simple_ddg.SSElementBisectddGFilter, pose: pyrosetta.rosetta.core.pose.Pose) → pyrosetta.rosetta.protocols.loops.Loops

C++: protocols::simple_ddg::SSElementBisectddGFilter::get_ss_elements(const class core::pose::Pose &) const –> class protocols::loops::Loops

get_type(self: pyrosetta.rosetta.protocols.filters.Filter) → str

C++: protocols::filters::Filter::get_type() const –> std::string

get_user_defined_name(self: pyrosetta.rosetta.protocols.filters.Filter) → str

C++: protocols::filters::Filter::get_user_defined_name() const –> std::string

name(self: pyrosetta.rosetta.protocols.simple_ddg.SSElementBisectddGFilter) → str

C++: protocols::simple_ddg::SSElementBisectddGFilter::name() const –> std::string

parse_my_tag(self: pyrosetta.rosetta.protocols.simple_ddg.SSElementBisectddGFilter, tag: pyrosetta.rosetta.utility.tag.Tag, data: pyrosetta.rosetta.basic.datacache.DataMap) → None

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

provide_citation_info(self: pyrosetta.rosetta.protocols.filters.Filter, : pyrosetta.rosetta.basic.citation_manager.CitationCollectionList) → None
Provide citations to the passed CitationCollectionList

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

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

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

static provide_xml_schema(xsd: pyrosetta.rosetta.utility.tag.XMLSchemaDefinition) → None

C++: protocols::simple_ddg::SSElementBisectddGFilter::provide_xml_schema(class utility::tag::XMLSchemaDefinition &) –> void

report(self: pyrosetta.rosetta.protocols.simple_ddg.SSElementBisectddGFilter, out: pyrosetta.rosetta.std.ostream, pose: pyrosetta.rosetta.core.pose.Pose) → None

C++: protocols::simple_ddg::SSElementBisectddGFilter::report(std::ostream &, const class core::pose::Pose &) const –> void

report_sm(self: pyrosetta.rosetta.protocols.simple_ddg.SSElementBisectddGFilter, pose: pyrosetta.rosetta.core.pose.Pose) → float

C++: protocols::simple_ddg::SSElementBisectddGFilter::report_sm(const class core::pose::Pose &) const –> double

score(self: pyrosetta.rosetta.protocols.filters.Filter, pose: pyrosetta.rosetta.core.pose.Pose) → float

C++: protocols::filters::Filter::score(class core::pose::Pose &) –> double

set_user_defined_name(self: pyrosetta.rosetta.protocols.filters.Filter, name: str) → None

C++: protocols::filters::Filter::set_user_defined_name(const std::string &) –> void

class pyrosetta.rosetta.protocols.simple_ddg.SSElementBisectddGFilterCreator

Bases: FilterCreator

assign(self: pyrosetta.rosetta.protocols.simple_ddg.SSElementBisectddGFilterCreator, : pyrosetta.rosetta.protocols.simple_ddg.SSElementBisectddGFilterCreator) → pyrosetta.rosetta.protocols.simple_ddg.SSElementBisectddGFilterCreator

C++: protocols::simple_ddg::SSElementBisectddGFilterCreator::operator=(const class protocols::simple_ddg::SSElementBisectddGFilterCreator &) –> class protocols::simple_ddg::SSElementBisectddGFilterCreator &

create_filter(self: pyrosetta.rosetta.protocols.simple_ddg.SSElementBisectddGFilterCreator) → pyrosetta.rosetta.protocols.filters.Filter

C++: protocols::simple_ddg::SSElementBisectddGFilterCreator::create_filter() const –> class std::shared_ptr<class protocols::filters::Filter>

keyname(self: pyrosetta.rosetta.protocols.simple_ddg.SSElementBisectddGFilterCreator) → str

C++: protocols::simple_ddg::SSElementBisectddGFilterCreator::keyname() const –> std::string

provide_xml_schema(self: pyrosetta.rosetta.protocols.simple_ddg.SSElementBisectddGFilterCreator, xsd: pyrosetta.rosetta.utility.tag.XMLSchemaDefinition) → None

C++: protocols::simple_ddg::SSElementBisectddGFilterCreator::provide_xml_schema(class utility::tag::XMLSchemaDefinition &) const –> void

class pyrosetta.rosetta.protocols.simple_ddg.ddG

Bases: Mover

apply(self: pyrosetta.rosetta.protocols.simple_ddg.ddG, pose: pyrosetta.rosetta.core.pose.Pose) → None

C++: protocols::simple_ddg::ddG::apply(class core::pose::Pose &) –> void

assign(self: pyrosetta.rosetta.protocols.simple_ddg.ddG, : pyrosetta.rosetta.protocols.simple_ddg.ddG) → pyrosetta.rosetta.protocols.simple_ddg.ddG

C++: protocols::simple_ddg::ddG::operator=(const class protocols::simple_ddg::ddG &) –> class protocols::simple_ddg::ddG &

calculate(self: pyrosetta.rosetta.protocols.simple_ddg.ddG, pose_in: pyrosetta.rosetta.core.pose.Pose) → None

C++: protocols::simple_ddg::ddG::calculate(const class core::pose::Pose &) –> void

chain_ids(self: pyrosetta.rosetta.protocols.simple_ddg.ddG) → pyrosetta.rosetta.utility.vector1_unsigned_long

Get the hard-set chain ids. Note these are not necessarily the only chains to be moved.

C++: protocols::simple_ddg::ddG::chain_ids() const –> class utility::vector1<unsigned long, class std::allocator<unsigned long> >

clean_pose(self: pyrosetta.rosetta.protocols.simple_ddg.ddG, pose_copy: pyrosetta.rosetta.core.pose.Pose) → None

C++: protocols::simple_ddg::ddG::clean_pose(class core::pose::Pose &) –> void

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

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

clear_info is called by jd2 before calling apply

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

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

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

compute_rmsd(*args, **kwargs)

Overloaded function.

  1. compute_rmsd(self: pyrosetta.rosetta.protocols.simple_ddg.ddG, crms: bool) -> None

C++: protocols::simple_ddg::ddG::compute_rmsd(const bool) –> void

  1. compute_rmsd(self: pyrosetta.rosetta.protocols.simple_ddg.ddG) -> bool

C++: protocols::simple_ddg::ddG::compute_rmsd() const –> bool

compute_rmsd_with_super(self: pyrosetta.rosetta.protocols.simple_ddg.ddG, pose: pyrosetta.rosetta.core.pose.Pose, input_rmsd_super: float, input_rmsd: float) → None

C++: protocols::simple_ddg::ddG::compute_rmsd_with_super(const class core::pose::Pose &, double &, double &) –> void

create(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.Mover

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

static define_ddG_schema() → pyrosetta.rosetta.utility.tag.XMLSchemaComplexTypeGenerator

C++: protocols::simple_ddg::ddG::define_ddG_schema() –> class std::shared_ptr<class utility::tag::XMLSchemaComplexTypeGenerator>

dump_pdbs(*args, **kwargs)

Overloaded function.

  1. dump_pdbs(self: pyrosetta.rosetta.protocols.simple_ddg.ddG, dp: bool) -> None

C++: protocols::simple_ddg::ddG::dump_pdbs(bool) –> void

  1. dump_pdbs(self: pyrosetta.rosetta.protocols.simple_ddg.ddG) -> bool

C++: protocols::simple_ddg::ddG::dump_pdbs() const –> bool

filter(*args, **kwargs)

Overloaded function.

  1. filter(self: pyrosetta.rosetta.protocols.simple_ddg.ddG) -> pyrosetta.rosetta.protocols.filters.Filter

C++: protocols::simple_ddg::ddG::filter() const –> class std::shared_ptr<class protocols::filters::Filter>

  1. filter(self: pyrosetta.rosetta.protocols.simple_ddg.ddG, f: pyrosetta.rosetta.protocols.filters.Filter) -> None

C++: protocols::simple_ddg::ddG::filter(class std::shared_ptr<class protocols::filters::Filter>) –> void

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

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

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

fpd

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

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

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

get_current_job(self: pyrosetta.rosetta.protocols.moves.Mover) → protocols::jobdist::BasicJob

C++: protocols::moves::Mover::get_current_job() const –> class std::shared_ptr<const class protocols::jobdist::BasicJob>

get_current_tag(self: pyrosetta.rosetta.protocols.moves.Mover) → str
A tag is a unique identifier used to identify structures produced

by this Mover. get_current_tag() returns the tag, and set_current_tag( std::string tag ) sets the tag. This functionality is not intended for use with the 2008 job distributor.

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

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

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

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

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

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

get_movable_jumps(self: pyrosetta.rosetta.protocols.simple_ddg.ddG, pose: pyrosetta.rosetta.core.pose.Pose) → pyrosetta.rosetta.std.set_unsigned_long_t

C++: protocols::simple_ddg::ddG::get_movable_jumps(const class core::pose::Pose &) const –> class std::set<unsigned long, struct std::less<unsigned long>, class std::allocator<unsigned long> >

get_name(self: pyrosetta.rosetta.protocols.simple_ddg.ddG) → str

C++: protocols::simple_ddg::ddG::get_name() const –> std::string

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

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

get_self_ptr(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.Mover

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

get_self_weak_ptr(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.std.weak_ptr_protocols_moves_Mover_t

C++: protocols::moves::Mover::get_self_weak_ptr() –> class std::weak_ptr<class protocols::moves::Mover>

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

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

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

non-const accessor

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

last_proposal_density_ratio(self: pyrosetta.rosetta.protocols.moves.Mover) → float

C++: protocols::moves::Mover::last_proposal_density_ratio() –> double

static mover_name() → str

C++: protocols::simple_ddg::ddG::mover_name() –> std::string

static name() → str

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

parse_my_tag(self: pyrosetta.rosetta.protocols.simple_ddg.ddG, : pyrosetta.rosetta.utility.tag.Tag, : pyrosetta.rosetta.basic.datacache.DataMap) → None

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

provide_citation_info(self: pyrosetta.rosetta.protocols.moves.Mover, : pyrosetta.rosetta.basic.citation_manager.CitationCollectionList) → None
Provide citations to the passed CitationCollectionList

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

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

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

static provide_xml_schema(xsd: pyrosetta.rosetta.utility.tag.XMLSchemaDefinition) → None

C++: protocols::simple_ddg::ddG::provide_xml_schema(class utility::tag::XMLSchemaDefinition &) –> void

rb_jump(*args, **kwargs)

Overloaded function.

  1. rb_jump(self: pyrosetta.rosetta.protocols.simple_ddg.ddG) -> int

C++: protocols::simple_ddg::ddG::rb_jump() const –> unsigned long

  1. rb_jump(self: pyrosetta.rosetta.protocols.simple_ddg.ddG, j: int) -> None

C++: protocols::simple_ddg::ddG::rb_jump(unsigned long) –> void

static register_options() → None

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

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

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

reinitialize_for_each_job(self: pyrosetta.rosetta.protocols.moves.Mover) → bool
Inform the Job Distributor (August ‘08 vintage) whether this object needs to be freshly regenerated on

each use.

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

reinitialize_for_new_input(self: pyrosetta.rosetta.protocols.moves.Mover) → bool
Inform the Job Distributor (August ‘08 vintage) whether this object needs to be regenerated when the input

pose is about to change, (for example, if the Mover has special code on the first apply() that is only valid for that one input pose).

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

relax_bound(*args, **kwargs)

Overloaded function.

  1. relax_bound(self: pyrosetta.rosetta.protocols.simple_ddg.ddG, rlb: bool) -> None

C++: protocols::simple_ddg::ddG::relax_bound(bool) –> void

  1. relax_bound(self: pyrosetta.rosetta.protocols.simple_ddg.ddG) -> bool

C++: protocols::simple_ddg::ddG::relax_bound() const –> bool

relax_mover(*args, **kwargs)

Overloaded function.

  1. relax_mover(self: pyrosetta.rosetta.protocols.simple_ddg.ddG) -> pyrosetta.rosetta.protocols.moves.Mover

C++: protocols::simple_ddg::ddG::relax_mover() const –> class std::shared_ptr<class protocols::moves::Mover>

  1. relax_mover(self: pyrosetta.rosetta.protocols.simple_ddg.ddG, m: pyrosetta.rosetta.protocols.moves.Mover) -> None

C++: protocols::simple_ddg::ddG::relax_mover(class std::shared_ptr<class protocols::moves::Mover>) –> void

relax_unbound(*args, **kwargs)

Overloaded function.

  1. relax_unbound(self: pyrosetta.rosetta.protocols.simple_ddg.ddG, rlu: bool) -> None

C++: protocols::simple_ddg::ddG::relax_unbound(const bool) –> void

  1. relax_unbound(self: pyrosetta.rosetta.protocols.simple_ddg.ddG) -> bool

C++: protocols::simple_ddg::ddG::relax_unbound() const –> bool

repack_bound(*args, **kwargs)

Overloaded function.

  1. repack_bound(self: pyrosetta.rosetta.protocols.simple_ddg.ddG, rpb: bool) -> None

C++: protocols::simple_ddg::ddG::repack_bound(bool) –> void

  1. repack_bound(self: pyrosetta.rosetta.protocols.simple_ddg.ddG) -> bool

C++: protocols::simple_ddg::ddG::repack_bound() const –> bool

repack_unbound(*args, **kwargs)

Overloaded function.

  1. repack_unbound(self: pyrosetta.rosetta.protocols.simple_ddg.ddG, rpu: bool) -> None

C++: protocols::simple_ddg::ddG::repack_unbound(bool) –> void

  1. repack_unbound(self: pyrosetta.rosetta.protocols.simple_ddg.ddG) -> bool

C++: protocols::simple_ddg::ddG::repack_unbound() const –> bool

repeats(*args, **kwargs)

Overloaded function.

  1. repeats(self: pyrosetta.rosetta.protocols.simple_ddg.ddG) -> int

C++: protocols::simple_ddg::ddG::repeats() const –> unsigned long

  1. repeats(self: pyrosetta.rosetta.protocols.simple_ddg.ddG, repeats: int) -> None

C++: protocols::simple_ddg::ddG::repeats(unsigned long) –> void

report_ddG(self: pyrosetta.rosetta.protocols.simple_ddg.ddG, out: pyrosetta.rosetta.std.ostream) → None

C++: protocols::simple_ddg::ddG::report_ddG(std::ostream &) const –> void

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

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

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

scorefxn(self: pyrosetta.rosetta.protocols.simple_ddg.ddG, scorefxn_in: pyrosetta.rosetta.core.scoring.ScoreFunction) → None

C++: protocols::simple_ddg::ddG::scorefxn(class std::shared_ptr<const class core::scoring::ScoreFunction>) –> void

set_current_job(self: pyrosetta.rosetta.protocols.moves.Mover, job: protocols::jobdist::BasicJob) → None

C++: protocols::moves::Mover::set_current_job(class std::shared_ptr<const class protocols::jobdist::BasicJob>) –> void

set_current_tag(self: pyrosetta.rosetta.protocols.moves.Mover, new_tag: str) → None

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

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

setter for poses contained for rms

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

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

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

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

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

Set the ‘type’ string

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

show(*args, **kwargs)

Overloaded function.

  1. show(self: pyrosetta.rosetta.protocols.moves.Mover) -> None

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

Outputs details about the Mover, including current settings.

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

sum_bound(self: pyrosetta.rosetta.protocols.simple_ddg.ddG) → float

C++: protocols::simple_ddg::ddG::sum_bound() const –> double

sum_ddG(self: pyrosetta.rosetta.protocols.simple_ddg.ddG) → float

C++: protocols::simple_ddg::ddG::sum_ddG() const –> double

sum_unbound(self: pyrosetta.rosetta.protocols.simple_ddg.ddG) → float

C++: protocols::simple_ddg::ddG::sum_unbound() const –> double

task_factory(*args, **kwargs)

Overloaded function.

  1. task_factory(self: pyrosetta.rosetta.protocols.simple_ddg.ddG, task_factory: pyrosetta.rosetta.core.pack.task.TaskFactory) -> None

C++: protocols::simple_ddg::ddG::task_factory(class std::shared_ptr<class core::pack::task::TaskFactory>) –> void

  1. task_factory(self: pyrosetta.rosetta.protocols.simple_ddg.ddG) -> pyrosetta.rosetta.core.pack.task.TaskFactory

C++: protocols::simple_ddg::ddG::task_factory() const –> class std::shared_ptr<class core::pack::task::TaskFactory>

test_move(self: pyrosetta.rosetta.protocols.moves.Mover, pose: pyrosetta.rosetta.core.pose.Pose) → None
: Unit test support function. Apply one move to a given pose.

Allows extra test specific functions to be called before applying

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

translate_by(*args, **kwargs)

Overloaded function.

  1. translate_by(self: pyrosetta.rosetta.protocols.simple_ddg.ddG) -> float

C++: protocols::simple_ddg::ddG::translate_by() const –> double

  1. translate_by(self: pyrosetta.rosetta.protocols.simple_ddg.ddG, translate_by: float) -> None

C++: protocols::simple_ddg::ddG::translate_by(double) –> void

type(*args, **kwargs)

Overloaded function.

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

Set the ‘type’ string

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

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

Get the set ‘type’ string

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

use_custom_task(*args, **kwargs)

Overloaded function.

  1. use_custom_task(self: pyrosetta.rosetta.protocols.simple_ddg.ddG, uct: bool) -> None

C++: protocols::simple_ddg::ddG::use_custom_task(bool) –> void

  1. use_custom_task(self: pyrosetta.rosetta.protocols.simple_ddg.ddG) -> bool

C++: protocols::simple_ddg::ddG::use_custom_task() const –> bool

class pyrosetta.rosetta.protocols.simple_ddg.ddGCreator

Bases: MoverCreator

assign(self: pyrosetta.rosetta.protocols.simple_ddg.ddGCreator, : pyrosetta.rosetta.protocols.simple_ddg.ddGCreator) → pyrosetta.rosetta.protocols.simple_ddg.ddGCreator

C++: protocols::simple_ddg::ddGCreator::operator=(const class protocols::simple_ddg::ddGCreator &) –> class protocols::simple_ddg::ddGCreator &

create_mover(self: pyrosetta.rosetta.protocols.simple_ddg.ddGCreator) → pyrosetta.rosetta.protocols.moves.Mover

C++: protocols::simple_ddg::ddGCreator::create_mover() const –> class std::shared_ptr<class protocols::moves::Mover>

keyname(self: pyrosetta.rosetta.protocols.simple_ddg.ddGCreator) → str

C++: protocols::simple_ddg::ddGCreator::keyname() const –> std::string

provide_xml_schema(self: pyrosetta.rosetta.protocols.simple_ddg.ddGCreator, xsd: pyrosetta.rosetta.utility.tag.XMLSchemaDefinition) → None

C++: protocols::simple_ddg::ddGCreator::provide_xml_schema(class utility::tag::XMLSchemaDefinition &) const –> void