environment¶
Bindings for protocols::environment namespace
- class pyrosetta.rosetta.protocols.environment.AutoCutData¶
Bases:
WriteableCacheableData
- assign(self: pyrosetta.rosetta.protocols.environment.AutoCutData, : pyrosetta.rosetta.protocols.environment.AutoCutData) pyrosetta.rosetta.protocols.environment.AutoCutData ¶
C++: protocols::environment::AutoCutData::operator=(const class protocols::environment::AutoCutData &) –> class protocols::environment::AutoCutData &
- clone(self: pyrosetta.rosetta.protocols.environment.AutoCutData) pyrosetta.rosetta.basic.datacache.CacheableData ¶
C++: protocols::environment::AutoCutData::clone() const –> class std::shared_ptr<class basic::datacache::CacheableData>
- cuts(self: pyrosetta.rosetta.protocols.environment.AutoCutData) pyrosetta.rosetta.utility.vector1_unsigned_long ¶
C++: protocols::environment::AutoCutData::cuts() const –> const class utility::vector1<unsigned long, class std::allocator<unsigned long> > &
- datatype(self: pyrosetta.rosetta.protocols.environment.AutoCutData) str ¶
C++: protocols::environment::AutoCutData::datatype() const –> std::string
- get_self_ptr(self: pyrosetta.rosetta.basic.datacache.CacheableData) pyrosetta.rosetta.basic.datacache.CacheableData ¶
C++: basic::datacache::CacheableData::get_self_ptr() –> class std::shared_ptr<class basic::datacache::CacheableData>
- get_self_weak_ptr(self: pyrosetta.rosetta.basic.datacache.CacheableData) pyrosetta.rosetta.std.weak_ptr_basic_datacache_CacheableData_t ¶
C++: basic::datacache::CacheableData::get_self_weak_ptr() –> class std::weak_ptr<class basic::datacache::CacheableData>
- hash(self: pyrosetta.rosetta.protocols.environment.AutoCutData) int ¶
C++: protocols::environment::AutoCutData::hash() const –> const unsigned long &
C++: basic::datacache::WriteableCacheableData::shared_from_this() –> class std::shared_ptr<class basic::datacache::WriteableCacheableData>
- write(self: pyrosetta.rosetta.protocols.environment.AutoCutData, out: pyrosetta.rosetta.std.ostream) None ¶
C++: protocols::environment::AutoCutData::write(std::ostream &) const –> void
- class pyrosetta.rosetta.protocols.environment.AutoCutDataCreator¶
Bases:
WriteableCacheableDataCreator
- assign(self: pyrosetta.rosetta.protocols.environment.AutoCutDataCreator, : pyrosetta.rosetta.protocols.environment.AutoCutDataCreator) pyrosetta.rosetta.protocols.environment.AutoCutDataCreator ¶
C++: protocols::environment::AutoCutDataCreator::operator=(const class protocols::environment::AutoCutDataCreator &) –> class protocols::environment::AutoCutDataCreator &
- create_data(self: pyrosetta.rosetta.protocols.environment.AutoCutDataCreator, in: pyrosetta.rosetta.std.istream) pyrosetta.rosetta.basic.datacache.WriteableCacheableData ¶
C++: protocols::environment::AutoCutDataCreator::create_data(std::istream &) const –> class std::shared_ptr<class basic::datacache::WriteableCacheableData>
- keyname(self: pyrosetta.rosetta.protocols.environment.AutoCutDataCreator) str ¶
C++: protocols::environment::AutoCutDataCreator::keyname() const –> std::string
- class pyrosetta.rosetta.protocols.environment.ClientMover¶
Bases:
Mover
- apply(self: pyrosetta.rosetta.protocols.moves.Mover, : pyrosetta.rosetta.core.pose.Pose) None ¶
Main Method
C++: protocols::moves::Mover::apply(class core::pose::Pose &) –> void
- assign(self: pyrosetta.rosetta.protocols.environment.ClientMover, : pyrosetta.rosetta.protocols.environment.ClientMover) pyrosetta.rosetta.protocols.environment.ClientMover ¶
C++: protocols::environment::ClientMover::operator=(const class protocols::environment::ClientMover &) –> class protocols::environment::ClientMover &
- clear_info(self: pyrosetta.rosetta.protocols.moves.Mover) None ¶
Strings container can be used to return miscellaneous info (as std::string) from a mover, such as notes about the results of apply(). The job distributor (Apr 09 vintage) will check this function to see if your protocol wants to add string info to the Job that ran this mover. One way this can be useful is that later, a JobOutputter may include/append this info to an output file.
clear_info is called by jd2 before calling apply
C++: protocols::moves::Mover::clear_info() –> void
- clone(self: pyrosetta.rosetta.protocols.moves.Mover) pyrosetta.rosetta.protocols.moves.Mover ¶
Return a clone of the Mover object.
C++: protocols::moves::Mover::clone() const –> class std::shared_ptr<class protocols::moves::Mover>
- create(self: pyrosetta.rosetta.protocols.moves.Mover) pyrosetta.rosetta.protocols.moves.Mover ¶
C++: protocols::moves::Mover::create() –> class std::shared_ptr<class protocols::moves::Mover>
- fresh_instance(self: pyrosetta.rosetta.protocols.moves.Mover) pyrosetta.rosetta.protocols.moves.Mover ¶
Generates a new Mover object freshly created with the default ctor.
C++: protocols::moves::Mover::fresh_instance() const –> class std::shared_ptr<class protocols::moves::Mover>
- get_additional_output(self: pyrosetta.rosetta.protocols.moves.Mover) pyrosetta.rosetta.core.pose.Pose ¶
fpd
Mechanism by which a mover may return multiple output poses from a single input pose.
Supported in JD2. Will attempt to grab additional poses until a nullptr is returned.
C++: protocols::moves::Mover::get_additional_output() –> class std::shared_ptr<class core::pose::Pose>
- get_current_job(self: pyrosetta.rosetta.protocols.moves.Mover) protocols::jobdist::BasicJob ¶
C++: protocols::moves::Mover::get_current_job() const –> class std::shared_ptr<const class protocols::jobdist::BasicJob>
- get_current_tag(self: pyrosetta.rosetta.protocols.moves.Mover) str ¶
- A tag is a unique identifier used to identify structures produced
by this Mover. get_current_tag() returns the tag, and set_current_tag( std::string tag ) sets the tag. This functionality is not intended for use with the 2008 job distributor.
C++: protocols::moves::Mover::get_current_tag() const –> std::string
- get_input_pose(self: pyrosetta.rosetta.protocols.moves.Mover) pyrosetta.rosetta.core.pose.Pose ¶
C++: protocols::moves::Mover::get_input_pose() const –> class std::shared_ptr<const class core::pose::Pose>
- get_last_move_status(self: pyrosetta.rosetta.protocols.moves.Mover) pyrosetta.rosetta.protocols.moves.MoverStatus ¶
returns status after an apply(). The job distributor (august 08 vintage) will check this function to see if your protocol wants to filter its results - if your protocol wants to say “that run was no good, skip it” then use the protected last_move_status(MoverStatus) to change the value that this function will return.
C++: protocols::moves::Mover::get_last_move_status() const –> enum protocols::moves::MoverStatus
- get_name(self: pyrosetta.rosetta.protocols.moves.Mover) str ¶
Each derived class must specify its name. The class name.
C++: protocols::moves::Mover::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 > > &
- initialize(self: pyrosetta.rosetta.protocols.environment.ClientMover, conf: pyrosetta.rosetta.core.pose.Pose) None ¶
- this method is called by the broking system in response to a
successful initialization claim by this mover. The passport will prevent any unauthorized changes.
C++: protocols::environment::ClientMover::initialize(class core::pose::Pose &) –> void
- last_proposal_density_ratio(self: pyrosetta.rosetta.protocols.moves.Mover) float ¶
C++: protocols::moves::Mover::last_proposal_density_ratio() –> double
- static name() str ¶
C++: protocols::moves::Mover::name() –> std::string
- parse_my_tag(self: pyrosetta.rosetta.protocols.moves.Mover, tag: pyrosetta.rosetta.utility.tag.Tag, data: pyrosetta.rosetta.basic.datacache.DataMap) None ¶
Called by MoverFactory when constructing new Movers. Takes care of the specific mover’s parsing.
C++: protocols::moves::Mover::parse_my_tag(class std::shared_ptr<const class utility::tag::Tag>, class basic::datacache::DataMap &) –> void
- provide_citation_info(self: pyrosetta.rosetta.protocols.moves.Mover, : pyrosetta.rosetta.basic.citation_manager.CitationCollectionList) None ¶
- Provide citations to the passed CitationCollectionList
Subclasses should add the info for themselves and any other classes they use.
The default implementation of this function does nothing. It may be overriden by movers wishing to provide citation information.
C++: protocols::moves::Mover::provide_citation_info(class basic::citation_manager::CitationCollectionList &) const –> void
- static register_options() None ¶
Overload this static method if you access options within the mover.
These options will end up in -help of your application if users of this mover call register_options. Do this recursively! If you use movers within your mover, call their register_options in your register_options() method.
C++: protocols::moves::Mover::register_options() –> void
- reinitialize_for_each_job(self: pyrosetta.rosetta.protocols.moves.Mover) bool ¶
- Inform the Job Distributor (August ‘08 vintage) whether this object needs to be freshly regenerated on
each use.
C++: protocols::moves::Mover::reinitialize_for_each_job() const –> bool
- reinitialize_for_new_input(self: pyrosetta.rosetta.protocols.moves.Mover) bool ¶
- Inform the Job Distributor (August ‘08 vintage) whether this object needs to be regenerated when the input
pose is about to change, (for example, if the Mover has special code on the first apply() that is only valid for that one input pose).
C++: protocols::moves::Mover::reinitialize_for_new_input() const –> bool
- reset_status(self: pyrosetta.rosetta.protocols.moves.Mover) None ¶
resets status to SUCCESS, meant to be used before an apply(). The job distributor (august 08 vintage) uses this to ensure non-accumulation of status across apply()s.
C++: protocols::moves::Mover::reset_status() –> void
- set_current_job(self: pyrosetta.rosetta.protocols.moves.Mover, job: protocols::jobdist::BasicJob) None ¶
C++: protocols::moves::Mover::set_current_job(class std::shared_ptr<const class protocols::jobdist::BasicJob>) –> void
- set_current_tag(self: pyrosetta.rosetta.protocols.moves.Mover, new_tag: str) None ¶
C++: protocols::moves::Mover::set_current_tag(const std::string &) –> void
- set_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.
show(self: pyrosetta.rosetta.protocols.moves.Mover) -> None
show(self: pyrosetta.rosetta.protocols.moves.Mover, output: pyrosetta.rosetta.std.ostream) -> None
Outputs details about the Mover, including current settings.
C++: protocols::moves::Mover::show(std::ostream &) const –> void
- test_move(self: pyrosetta.rosetta.protocols.moves.Mover, pose: pyrosetta.rosetta.core.pose.Pose) None ¶
- : Unit test support function. Apply one move to a given pose.
Allows extra test specific functions to be called before applying
C++: protocols::moves::Mover::test_move(class core::pose::Pose &) –> void
- type(*args, **kwargs)¶
Overloaded function.
type(self: pyrosetta.rosetta.protocols.moves.Mover, type_in: str) -> None
Set the ‘type’ string
C++: protocols::moves::Mover::type(const std::string &) –> void
type(self: pyrosetta.rosetta.protocols.moves.Mover) -> str
Get the set ‘type’ string
C++: protocols::moves::Mover::type() const –> const std::string &
- yield_claims(self: pyrosetta.rosetta.protocols.environment.ClientMover, : pyrosetta.rosetta.core.pose.Pose, : pyrosetta.rosetta.basic.datacache.WriteableCacheableMap) pyrosetta.rosetta.std.list_std_shared_ptr_protocols_environment_claims_EnvClaim_t ¶
Returns a list of claims for this mover.
- The pose passed as an argument is used for reference informational
purposes only (for example, you want to know the sequence) or access the pose cache. Any changes to the conformation will get overwritten!
C++: protocols::environment::ClientMover::yield_claims(const class core::pose::Pose &, class std::shared_ptr<class basic::datacache::WriteableCacheableMap>) –> class std::list<class std::shared_ptr<class protocols::environment::claims::EnvClaim>, class std::allocator<class std::shared_ptr<class protocols::environment::claims::EnvClaim> > >
- yield_submovers(self: pyrosetta.rosetta.protocols.environment.ClientMover, : pyrosetta.rosetta.std.set_std_shared_ptr_protocols_environment_ClientMover_t) None ¶
- this method is used to make sure any movers contained in this
mover (that want to make claims) also get registered with the environment.
C++: protocols::environment::ClientMover::yield_submovers(class std::set<class std::shared_ptr<class protocols::environment::ClientMover>, struct std::less<class std::shared_ptr<class protocols::environment::ClientMover> >, class std::allocator<class std::shared_ptr<class protocols::environment::ClientMover> > > &) const –> void
- class pyrosetta.rosetta.protocols.environment.CoMTrackerCM¶
Bases:
ClientMover
- apply(self: pyrosetta.rosetta.protocols.environment.CoMTrackerCM, : pyrosetta.rosetta.core.pose.Pose) None ¶
C++: protocols::environment::CoMTrackerCM::apply(class core::pose::Pose &) –> void
- assign(self: pyrosetta.rosetta.protocols.environment.CoMTrackerCM, : pyrosetta.rosetta.protocols.environment.CoMTrackerCM) pyrosetta.rosetta.protocols.environment.CoMTrackerCM ¶
C++: protocols::environment::CoMTrackerCM::operator=(const class protocols::environment::CoMTrackerCM &) –> class protocols::environment::CoMTrackerCM &
- 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.environment.CoMTrackerCM) pyrosetta.rosetta.protocols.moves.Mover ¶
C++: protocols::environment::CoMTrackerCM::clone() const –> class std::shared_ptr<class protocols::moves::Mover>
- create(self: pyrosetta.rosetta.protocols.moves.Mover) pyrosetta.rosetta.protocols.moves.Mover ¶
C++: protocols::moves::Mover::create() –> class std::shared_ptr<class protocols::moves::Mover>
- fresh_instance(self: pyrosetta.rosetta.protocols.environment.CoMTrackerCM) pyrosetta.rosetta.protocols.moves.Mover ¶
C++: protocols::environment::CoMTrackerCM::fresh_instance() const –> class std::shared_ptr<class protocols::moves::Mover>
- get_additional_output(self: pyrosetta.rosetta.protocols.moves.Mover) pyrosetta.rosetta.core.pose.Pose ¶
fpd
Mechanism by which a mover may return multiple output poses from a single input pose.
Supported in JD2. Will attempt to grab additional poses until a nullptr is returned.
C++: protocols::moves::Mover::get_additional_output() –> class std::shared_ptr<class core::pose::Pose>
- get_current_job(self: pyrosetta.rosetta.protocols.moves.Mover) protocols::jobdist::BasicJob ¶
C++: protocols::moves::Mover::get_current_job() const –> class std::shared_ptr<const class protocols::jobdist::BasicJob>
- get_current_tag(self: pyrosetta.rosetta.protocols.moves.Mover) str ¶
- A tag is a unique identifier used to identify structures produced
by this Mover. get_current_tag() returns the tag, and set_current_tag( std::string tag ) sets the tag. This functionality is not intended for use with the 2008 job distributor.
C++: protocols::moves::Mover::get_current_tag() const –> std::string
- get_input_pose(self: pyrosetta.rosetta.protocols.moves.Mover) pyrosetta.rosetta.core.pose.Pose ¶
C++: protocols::moves::Mover::get_input_pose() const –> class std::shared_ptr<const class core::pose::Pose>
- get_last_move_status(self: pyrosetta.rosetta.protocols.moves.Mover) pyrosetta.rosetta.protocols.moves.MoverStatus ¶
returns status after an apply(). The job distributor (august 08 vintage) will check this function to see if your protocol wants to filter its results - if your protocol wants to say “that run was no good, skip it” then use the protected last_move_status(MoverStatus) to change the value that this function will return.
C++: protocols::moves::Mover::get_last_move_status() const –> enum protocols::moves::MoverStatus
- get_name(self: pyrosetta.rosetta.protocols.environment.CoMTrackerCM) str ¶
C++: protocols::environment::CoMTrackerCM::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 > > &
- initialize(self: pyrosetta.rosetta.protocols.environment.CoMTrackerCM, pose: pyrosetta.rosetta.core.pose.Pose) None ¶
C++: protocols::environment::CoMTrackerCM::initialize(class core::pose::Pose &) –> void
- 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::environment::CoMTrackerCM::mover_name() –> std::string
- name(*args, **kwargs)¶
Overloaded function.
name(self: pyrosetta.rosetta.protocols.environment.CoMTrackerCM) -> str
C++: protocols::environment::CoMTrackerCM::name() const –> const std::string &
name(self: pyrosetta.rosetta.protocols.environment.CoMTrackerCM, name: str) -> None
C++: protocols::environment::CoMTrackerCM::name(const std::string &) –> void
- parse_my_tag(self: pyrosetta.rosetta.protocols.environment.CoMTrackerCM, tag: pyrosetta.rosetta.utility.tag.Tag, data: pyrosetta.rosetta.basic.datacache.DataMap) None ¶
C++: protocols::environment::CoMTrackerCM::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: utility::tag::XMLSchemaDefinition) None ¶
C++: protocols::environment::CoMTrackerCM::provide_xml_schema(class utility::tag::XMLSchemaDefinition &) –> 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
- reset_status(self: pyrosetta.rosetta.protocols.moves.Mover) None ¶
resets status to SUCCESS, meant to be used before an apply(). The job distributor (august 08 vintage) uses this to ensure non-accumulation of status across apply()s.
C++: protocols::moves::Mover::reset_status() –> void
- set_current_job(self: pyrosetta.rosetta.protocols.moves.Mover, job: protocols::jobdist::BasicJob) None ¶
C++: protocols::moves::Mover::set_current_job(class std::shared_ptr<const class protocols::jobdist::BasicJob>) –> void
- set_current_tag(self: pyrosetta.rosetta.protocols.moves.Mover, new_tag: str) None ¶
C++: protocols::moves::Mover::set_current_tag(const std::string &) –> void
- set_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.
show(self: pyrosetta.rosetta.protocols.moves.Mover) -> None
show(self: pyrosetta.rosetta.protocols.moves.Mover, output: pyrosetta.rosetta.std.ostream) -> None
Outputs details about the Mover, including current settings.
C++: protocols::moves::Mover::show(std::ostream &) const –> void
- test_move(self: pyrosetta.rosetta.protocols.moves.Mover, pose: pyrosetta.rosetta.core.pose.Pose) None ¶
- : Unit test support function. Apply one move to a given pose.
Allows extra test specific functions to be called before applying
C++: protocols::moves::Mover::test_move(class core::pose::Pose &) –> void
- type(*args, **kwargs)¶
Overloaded function.
type(self: pyrosetta.rosetta.protocols.moves.Mover, type_in: str) -> None
Set the ‘type’ string
C++: protocols::moves::Mover::type(const std::string &) –> void
type(self: pyrosetta.rosetta.protocols.moves.Mover) -> str
Get the set ‘type’ string
C++: protocols::moves::Mover::type() const –> const std::string &
- yield_claims(self: pyrosetta.rosetta.protocols.environment.CoMTrackerCM, : pyrosetta.rosetta.core.pose.Pose, : pyrosetta.rosetta.basic.datacache.WriteableCacheableMap) pyrosetta.rosetta.std.list_std_shared_ptr_protocols_environment_claims_EnvClaim_t ¶
C++: protocols::environment::CoMTrackerCM::yield_claims(const class core::pose::Pose &, class std::shared_ptr<class basic::datacache::WriteableCacheableMap>) –> class std::list<class std::shared_ptr<class protocols::environment::claims::EnvClaim>, class std::allocator<class std::shared_ptr<class protocols::environment::claims::EnvClaim> > >
- yield_submovers(self: pyrosetta.rosetta.protocols.environment.ClientMover, : pyrosetta.rosetta.std.set_std_shared_ptr_protocols_environment_ClientMover_t) None ¶
- this method is used to make sure any movers contained in this
mover (that want to make claims) also get registered with the environment.
C++: protocols::environment::ClientMover::yield_submovers(class std::set<class std::shared_ptr<class protocols::environment::ClientMover>, struct std::less<class std::shared_ptr<class protocols::environment::ClientMover> >, class std::allocator<class std::shared_ptr<class protocols::environment::ClientMover> > > &) const –> void
- class pyrosetta.rosetta.protocols.environment.CoMTrackerCMCreator¶
Bases:
MoverCreator
- assign(self: pyrosetta.rosetta.protocols.environment.CoMTrackerCMCreator, : pyrosetta.rosetta.protocols.environment.CoMTrackerCMCreator) pyrosetta.rosetta.protocols.environment.CoMTrackerCMCreator ¶
C++: protocols::environment::CoMTrackerCMCreator::operator=(const class protocols::environment::CoMTrackerCMCreator &) –> class protocols::environment::CoMTrackerCMCreator &
- create_mover(self: pyrosetta.rosetta.protocols.environment.CoMTrackerCMCreator) pyrosetta.rosetta.protocols.moves.Mover ¶
C++: protocols::environment::CoMTrackerCMCreator::create_mover() const –> class std::shared_ptr<class protocols::moves::Mover>
- keyname(self: pyrosetta.rosetta.protocols.environment.CoMTrackerCMCreator) str ¶
C++: protocols::environment::CoMTrackerCMCreator::keyname() const –> std::string
- class pyrosetta.rosetta.protocols.environment.DofUnlock¶
Bases:
pybind11_object
- class pyrosetta.rosetta.protocols.environment.EXCN_Env_Passport¶
Bases:
EXCN_Env_Exception
- 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.environment.EXCN_Env_Passport, : pyrosetta.rosetta.protocols.environment.EXCN_Env_Passport) pyrosetta.rosetta.protocols.environment.EXCN_Env_Passport ¶
C++: protocols::environment::EXCN_Env_Passport::operator=(const class protocols::environment::EXCN_Env_Passport &) –> class protocols::environment::EXCN_Env_Passport &
- 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.
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
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.environment.EXCN_Env_Security_Exception¶
Bases:
EXCN_Env_Exception
- 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.core.environment.EXCN_Env_Exception, : pyrosetta.rosetta.core.environment.EXCN_Env_Exception) pyrosetta.rosetta.core.environment.EXCN_Env_Exception ¶
C++: core::environment::EXCN_Env_Exception::operator=(const class core::environment::EXCN_Env_Exception &) –> class core::environment::EXCN_Env_Exception &
- 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 &
- id(self: pyrosetta.rosetta.protocols.environment.EXCN_Env_Security_Exception) pyrosetta.rosetta.core.id.DOF_ID ¶
C++: protocols::environment::EXCN_Env_Security_Exception::id() const –> const class core::id::DOF_ID &
- line(self: pyrosetta.rosetta.utility.excn.Exception) int ¶
C++: utility::excn::Exception::line() –> int
- msg(*args, **kwargs)¶
Overloaded function.
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
msg(self: pyrosetta.rosetta.utility.excn.Exception, m: str) -> None
Will set the raw message.
C++: utility::excn::Exception::msg(const std::string &) –> void
- passport(self: pyrosetta.rosetta.protocols.environment.EXCN_Env_Security_Exception) pyrosetta.rosetta.core.environment.DofPassport ¶
C++: protocols::environment::EXCN_Env_Security_Exception::passport() const –> class std::shared_ptr<const class core::environment::DofPassport>
- 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.environment.EnvClaimBroker¶
Bases:
pybind11_object
- class BrokerResult¶
Bases:
pybind11_object
- property ann¶
- assign(self: pyrosetta.rosetta.protocols.environment.EnvClaimBroker.BrokerResult, : pyrosetta.rosetta.protocols.environment.EnvClaimBroker.BrokerResult) pyrosetta.rosetta.protocols.environment.EnvClaimBroker.BrokerResult ¶
C++: protocols::environment::EnvClaimBroker::BrokerResult::operator=(const struct protocols::environment::EnvClaimBroker::BrokerResult &) –> struct protocols::environment::EnvClaimBroker::BrokerResult &
- property auto_cuts¶
- property cached_data¶
- property closer_ft¶
- property new_vrts¶
- property pose¶
- result(self: pyrosetta.rosetta.protocols.environment.EnvClaimBroker) protocols::environment::EnvClaimBroker::BrokerResult ¶
C++: protocols::environment::EnvClaimBroker::result() const –> const struct protocols::environment::EnvClaimBroker::BrokerResult &
- class pyrosetta.rosetta.protocols.environment.EnvMover¶
Bases:
Mover
- add_apply_mover(self: pyrosetta.rosetta.protocols.environment.EnvMover, : pyrosetta.rosetta.protocols.moves.Mover) None ¶
C++: protocols::environment::EnvMover::add_apply_mover(class std::shared_ptr<class protocols::moves::Mover>) –> void
- add_registered_mover(self: pyrosetta.rosetta.protocols.environment.EnvMover, : pyrosetta.rosetta.protocols.moves.Mover) None ¶
C++: protocols::environment::EnvMover::add_registered_mover(class std::shared_ptr<class protocols::moves::Mover>) –> void
- apply(self: pyrosetta.rosetta.protocols.environment.EnvMover, pose: pyrosetta.rosetta.core.pose.Pose) None ¶
C++: protocols::environment::EnvMover::apply(class core::pose::Pose &) –> void
- assign(self: pyrosetta.rosetta.protocols.environment.EnvMover, : pyrosetta.rosetta.protocols.environment.EnvMover) pyrosetta.rosetta.protocols.environment.EnvMover ¶
C++: protocols::environment::EnvMover::operator=(const class protocols::environment::EnvMover &) –> class protocols::environment::EnvMover &
- 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.environment.EnvMover) pyrosetta.rosetta.protocols.moves.Mover ¶
C++: protocols::environment::EnvMover::clone() const –> class std::shared_ptr<class protocols::moves::Mover>
- create(self: pyrosetta.rosetta.protocols.moves.Mover) pyrosetta.rosetta.protocols.moves.Mover ¶
C++: protocols::moves::Mover::create() –> class std::shared_ptr<class protocols::moves::Mover>
- env(self: pyrosetta.rosetta.protocols.environment.EnvMover) pyrosetta.rosetta.protocols.environment.Environment ¶
C++: protocols::environment::EnvMover::env() –> class protocols::environment::Environment &
- fresh_instance(self: pyrosetta.rosetta.protocols.moves.Mover) pyrosetta.rosetta.protocols.moves.Mover ¶
Generates a new Mover object freshly created with the default ctor.
C++: protocols::moves::Mover::fresh_instance() const –> class std::shared_ptr<class protocols::moves::Mover>
- get_additional_output(self: pyrosetta.rosetta.protocols.moves.Mover) pyrosetta.rosetta.core.pose.Pose ¶
fpd
Mechanism by which a mover may return multiple output poses from a single input pose.
Supported in JD2. Will attempt to grab additional poses until a nullptr is returned.
C++: protocols::moves::Mover::get_additional_output() –> class std::shared_ptr<class core::pose::Pose>
- get_current_job(self: pyrosetta.rosetta.protocols.moves.Mover) protocols::jobdist::BasicJob ¶
C++: protocols::moves::Mover::get_current_job() const –> class std::shared_ptr<const class protocols::jobdist::BasicJob>
- get_current_tag(self: pyrosetta.rosetta.protocols.moves.Mover) str ¶
- A tag is a unique identifier used to identify structures produced
by this Mover. get_current_tag() returns the tag, and set_current_tag( std::string tag ) sets the tag. This functionality is not intended for use with the 2008 job distributor.
C++: protocols::moves::Mover::get_current_tag() const –> std::string
- get_input_pose(self: pyrosetta.rosetta.protocols.moves.Mover) pyrosetta.rosetta.core.pose.Pose ¶
C++: protocols::moves::Mover::get_input_pose() const –> class std::shared_ptr<const class core::pose::Pose>
- get_last_move_status(self: pyrosetta.rosetta.protocols.moves.Mover) pyrosetta.rosetta.protocols.moves.MoverStatus ¶
returns status after an apply(). The job distributor (august 08 vintage) will check this function to see if your protocol wants to filter its results - if your protocol wants to say “that run was no good, skip it” then use the protected last_move_status(MoverStatus) to change the value that this function will return.
C++: protocols::moves::Mover::get_last_move_status() const –> enum protocols::moves::MoverStatus
- get_name(self: pyrosetta.rosetta.protocols.environment.EnvMover) str ¶
C++: protocols::environment::EnvMover::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::environment::EnvMover::mover_name() –> std::string
- static name() str ¶
C++: protocols::moves::Mover::name() –> std::string
- parse_my_tag(self: pyrosetta.rosetta.protocols.environment.EnvMover, tag: pyrosetta.rosetta.utility.tag.Tag, data: pyrosetta.rosetta.basic.datacache.DataMap) None ¶
C++: protocols::environment::EnvMover::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: utility::tag::XMLSchemaDefinition) None ¶
C++: protocols::environment::EnvMover::provide_xml_schema(class utility::tag::XMLSchemaDefinition &) –> 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
- reset_status(self: pyrosetta.rosetta.protocols.moves.Mover) None ¶
resets status to SUCCESS, meant to be used before an apply(). The job distributor (august 08 vintage) uses this to ensure non-accumulation of status across apply()s.
C++: protocols::moves::Mover::reset_status() –> void
- set_current_job(self: pyrosetta.rosetta.protocols.moves.Mover, job: protocols::jobdist::BasicJob) None ¶
C++: protocols::moves::Mover::set_current_job(class std::shared_ptr<const class protocols::jobdist::BasicJob>) –> void
- set_current_tag(self: pyrosetta.rosetta.protocols.moves.Mover, new_tag: str) None ¶
C++: protocols::moves::Mover::set_current_tag(const std::string &) –> void
- set_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.
show(self: pyrosetta.rosetta.protocols.moves.Mover) -> None
show(self: pyrosetta.rosetta.protocols.moves.Mover, output: pyrosetta.rosetta.std.ostream) -> None
Outputs details about the Mover, including current settings.
C++: protocols::moves::Mover::show(std::ostream &) const –> void
- test_move(self: pyrosetta.rosetta.protocols.moves.Mover, pose: pyrosetta.rosetta.core.pose.Pose) None ¶
- : Unit test support function. Apply one move to a given pose.
Allows extra test specific functions to be called before applying
C++: protocols::moves::Mover::test_move(class core::pose::Pose &) –> void
- type(*args, **kwargs)¶
Overloaded function.
type(self: pyrosetta.rosetta.protocols.moves.Mover, type_in: str) -> None
Set the ‘type’ string
C++: protocols::moves::Mover::type(const std::string &) –> void
type(self: pyrosetta.rosetta.protocols.moves.Mover) -> str
Get the set ‘type’ string
C++: protocols::moves::Mover::type() const –> const std::string &
- class pyrosetta.rosetta.protocols.environment.EnvMoverCreator¶
Bases:
MoverCreator
- assign(self: pyrosetta.rosetta.protocols.environment.EnvMoverCreator, : pyrosetta.rosetta.protocols.environment.EnvMoverCreator) pyrosetta.rosetta.protocols.environment.EnvMoverCreator ¶
C++: protocols::environment::EnvMoverCreator::operator=(const class protocols::environment::EnvMoverCreator &) –> class protocols::environment::EnvMoverCreator &
- create_mover(self: pyrosetta.rosetta.protocols.environment.EnvMoverCreator) pyrosetta.rosetta.protocols.moves.Mover ¶
C++: protocols::environment::EnvMoverCreator::create_mover() const –> class std::shared_ptr<class protocols::moves::Mover>
- keyname(self: pyrosetta.rosetta.protocols.environment.EnvMoverCreator) str ¶
C++: protocols::environment::EnvMoverCreator::keyname() const –> std::string
- class pyrosetta.rosetta.protocols.environment.Environment¶
Bases:
EnvCore
- allow_pure_movers(*args, **kwargs)¶
Overloaded function.
allow_pure_movers(self: pyrosetta.rosetta.protocols.environment.Environment) -> bool
C++: protocols::environment::Environment::allow_pure_movers() const –> bool
allow_pure_movers(self: pyrosetta.rosetta.protocols.environment.Environment, : bool) -> None
C++: protocols::environment::Environment::allow_pure_movers(bool) –> void
- annotations(self: pyrosetta.rosetta.protocols.environment.Environment) pyrosetta.rosetta.core.environment.SequenceAnnotation ¶
C++: protocols::environment::Environment::annotations() const –> class std::shared_ptr<const class core::environment::SequenceAnnotation>
- auto_cut(*args, **kwargs)¶
Overloaded function.
auto_cut(self: pyrosetta.rosetta.protocols.environment.Environment) -> bool
C++: protocols::environment::Environment::auto_cut() const –> bool
auto_cut(self: pyrosetta.rosetta.protocols.environment.Environment, : bool) -> None
C++: protocols::environment::Environment::auto_cut(bool) –> void
- broker(self: pyrosetta.rosetta.protocols.environment.Environment) protocols::environment::EnvClaimBroker ¶
C++: protocols::environment::Environment::broker() const –> class std::shared_ptr<const class protocols::environment::EnvClaimBroker>
- end(self: pyrosetta.rosetta.protocols.environment.Environment, : pyrosetta.rosetta.core.pose.Pose) pyrosetta.rosetta.core.pose.Pose ¶
C++: protocols::environment::Environment::end(const class core::pose::Pose &) –> class core::pose::Pose
- get_self_ptr(self: pyrosetta.rosetta.protocols.environment.Environment) pyrosetta.rosetta.protocols.environment.Environment ¶
C++: protocols::environment::Environment::get_self_ptr() –> class std::shared_ptr<class protocols::environment::Environment>
- get_self_weak_ptr(self: pyrosetta.rosetta.protocols.environment.Environment) pyrosetta.rosetta.std.weak_ptr_protocols_environment_Environment_t ¶
C++: protocols::environment::Environment::get_self_weak_ptr() –> class std::weak_ptr<class protocols::environment::Environment>
- id(self: pyrosetta.rosetta.core.environment.EnvCore) int ¶
C++: core::environment::EnvCore::id() const –> const unsigned long &
- inherit_cuts(*args, **kwargs)¶
Overloaded function.
inherit_cuts(self: pyrosetta.rosetta.protocols.environment.Environment) -> bool
C++: protocols::environment::Environment::inherit_cuts() const –> bool
inherit_cuts(self: pyrosetta.rosetta.protocols.environment.Environment, : bool) -> None
C++: protocols::environment::Environment::inherit_cuts(bool) –> void
- is_registered(self: pyrosetta.rosetta.protocols.environment.Environment, : protocols::environment::ClientMover) bool ¶
C++: protocols::environment::Environment::is_registered(class std::shared_ptr<class protocols::environment::ClientMover>) const –> bool
- name(self: pyrosetta.rosetta.core.environment.EnvCore) str ¶
C++: core::environment::EnvCore::name() const –> const std::string &
- pconf_creation(self: pyrosetta.rosetta.protocols.environment.Environment, ptr: pyrosetta.rosetta.core.conformation.Conformation) None ¶
C++: protocols::environment::Environment::pconf_creation(class core::conformation::Conformation *) const –> void
- pconf_destruction(self: pyrosetta.rosetta.protocols.environment.Environment, ptr: pyrosetta.rosetta.core.conformation.Conformation) None ¶
C++: protocols::environment::Environment::pconf_destruction(class core::conformation::Conformation *) const –> void
- register_mover(self: pyrosetta.rosetta.protocols.environment.Environment, : pyrosetta.rosetta.protocols.moves.Mover) None ¶
C++: protocols::environment::Environment::register_mover(class std::shared_ptr<class protocols::moves::Mover>) –> void
- start(self: pyrosetta.rosetta.protocols.environment.Environment, : pyrosetta.rosetta.core.pose.Pose) pyrosetta.rosetta.core.pose.Pose ¶
C++: protocols::environment::Environment::start(const class core::pose::Pose &) –> class core::pose::Pose
- superenv(self: pyrosetta.rosetta.protocols.environment.Environment) pyrosetta.rosetta.std.weak_ptr_const_protocols_environment_Environment_t ¶
C++: protocols::environment::Environment::superenv() const –> class std::weak_ptr<const class protocols::environment::Environment>
- class pyrosetta.rosetta.protocols.environment.ProtectedConformation¶
Bases:
Conformation
- aa(self: pyrosetta.rosetta.core.conformation.Conformation, seqpos: int) pyrosetta.rosetta.core.chemical.AA ¶
Returns the AA enum for position <seqpos>
C++: core::conformation::Conformation::aa(unsigned long) const –> const enum core::chemical::AA &
- add_disulfide_bond(self: pyrosetta.rosetta.core.conformation.Conformation, res1: int, res2: int) bool ¶
- Attempt to add a disulfide bond between the two residues.
Returns true on success and false on failure
C++: core::conformation::Conformation::add_disulfide_bond(unsigned long, unsigned long) –> bool
- add_parameters_set(self: pyrosetta.rosetta.core.conformation.Conformation, newset: core::conformation::parametric::ParametersSet) None ¶
- Add a (predefined) ParametersSet object (via its owning pointer)
to the current Conformation object.
Vikram K. Mulligan (vmullig.edu)
C++: core::conformation::Conformation::add_parameters_set(class std::shared_ptr<class core::conformation::parametric::ParametersSet>) –> void
- align_virtual_atoms_in_carbohydrate_residue(self: pyrosetta.rosetta.core.conformation.Conformation, sequence_position: int) None ¶
- Set coordinates of virtual atoms (used as angle reference points) within a saccharide residue of this
conformation.
C++: core::conformation::Conformation::align_virtual_atoms_in_carbohydrate_residue(const unsigned long) –> void
- annotated_sequence(self: pyrosetta.rosetta.core.conformation.Conformation, show_all_variants: bool) str ¶
- Returns the variant-tagged string representing the
residue types that make up a conformation; e.g. M[MET:N-Terminus-Variant]CDH[HIS_D]LLR[ARG:C-Terminus-Variant]
C++: core::conformation::Conformation::annotated_sequence(bool) const –> std::string
- annotations(self: pyrosetta.rosetta.protocols.environment.ProtectedConformation) pyrosetta.rosetta.core.environment.SequenceAnnotation ¶
C++: protocols::environment::ProtectedConformation::annotations() const –> class std::shared_ptr<const class core::environment::SequenceAnnotation>
- append_polymer_residue_after_seqpos(self: pyrosetta.rosetta.protocols.environment.ProtectedConformation, : pyrosetta.rosetta.core.conformation.Residue, : int, : bool) None ¶
C++: protocols::environment::ProtectedConformation::append_polymer_residue_after_seqpos(const class core::conformation::Residue &, const unsigned long, const bool) –> void
- append_residue_by_bond(*args, **kwargs)¶
Overloaded function.
append_residue_by_bond(self: pyrosetta.rosetta.core.conformation.Conformation, new_rsd: pyrosetta.rosetta.core.conformation.Residue) -> None
append_residue_by_bond(self: pyrosetta.rosetta.core.conformation.Conformation, new_rsd: pyrosetta.rosetta.core.conformation.Residue, build_ideal_geometry: bool) -> None
append_residue_by_bond(self: pyrosetta.rosetta.core.conformation.Conformation, new_rsd: pyrosetta.rosetta.core.conformation.Residue, build_ideal_geometry: bool, connection_index: int) -> None
append_residue_by_bond(self: pyrosetta.rosetta.core.conformation.Conformation, new_rsd: pyrosetta.rosetta.core.conformation.Residue, build_ideal_geometry: bool, connection_index: int, anchor_residue: int) -> None
append_residue_by_bond(self: pyrosetta.rosetta.core.conformation.Conformation, new_rsd: pyrosetta.rosetta.core.conformation.Residue, build_ideal_geometry: bool, connection_index: int, anchor_residue: int, anchor_connection_index: int) -> None
append_residue_by_bond(self: pyrosetta.rosetta.core.conformation.Conformation, new_rsd: pyrosetta.rosetta.core.conformation.Residue, build_ideal_geometry: bool, connection_index: int, anchor_residue: int, anchor_connection_index: int, start_new_chain: bool) -> None
append_residue_by_bond(self: pyrosetta.rosetta.core.conformation.Conformation, new_rsd: pyrosetta.rosetta.core.conformation.Residue, build_ideal_geometry: bool, connection_index: int, anchor_residue: int, anchor_connection_index: int, start_new_chain: bool, lookup_bond_length: bool) -> None
Append a new residue by a bond.
C++: core::conformation::Conformation::append_residue_by_bond(const class core::conformation::Residue &, const bool, int, unsigned long, int, const bool, const bool) –> void
- append_residue_by_jump(*args, **kwargs)¶
Overloaded function.
append_residue_by_jump(self: pyrosetta.rosetta.protocols.environment.ProtectedConformation, : pyrosetta.rosetta.core.conformation.Residue, : int) -> None
append_residue_by_jump(self: pyrosetta.rosetta.protocols.environment.ProtectedConformation, : pyrosetta.rosetta.core.conformation.Residue, : int, : str) -> None
append_residue_by_jump(self: pyrosetta.rosetta.protocols.environment.ProtectedConformation, : pyrosetta.rosetta.core.conformation.Residue, : int, : str, : str) -> None
append_residue_by_jump(self: pyrosetta.rosetta.protocols.environment.ProtectedConformation, : pyrosetta.rosetta.core.conformation.Residue, : int, : str, : str, _: bool) -> None
C++: protocols::environment::ProtectedConformation::append_residue_by_jump(const class core::conformation::Residue &, const unsigned long, const std::string &, const std::string &, const bool) –> void
- append_residues(self: pyrosetta.rosetta.core.conformation.Conformation, residues: pyrosetta.rosetta.utility.vector1_std_shared_ptr_core_conformation_Residue_t, jump_connection: pyrosetta.rosetta.utility.vector1_unsigned_long) None ¶
- Function for building poses
Append all the residues to the Conformation. If the corresponding jump connection is zero, attach by polymeric connection to the previous residue
C++: core::conformation::Conformation::append_residues(const class utility::vector1<class std::shared_ptr<class core::conformation::Residue>, class std::allocator<class std::shared_ptr<class core::conformation::Residue> > > &, const class utility::vector1<unsigned long, class std::allocator<unsigned long> > &) –> void
- apply_transform_Rx_plus_v(self: pyrosetta.rosetta.core.conformation.Conformation, R: pyrosetta.rosetta.numeric.xyzMatrix_double_t, v: pyrosetta.rosetta.numeric.xyzVector_double_t) None ¶
C++: core::conformation::Conformation::apply_transform_Rx_plus_v(const class numeric::xyzMatrix<double> &, const class numeric::xyzVector<double> &) –> void
- assign(*args, **kwargs)¶
Overloaded function.
assign(self: pyrosetta.rosetta.protocols.environment.ProtectedConformation, src: pyrosetta.rosetta.core.conformation.Conformation) -> pyrosetta.rosetta.core.conformation.Conformation
C++: protocols::environment::ProtectedConformation::operator=(const class core::conformation::Conformation &) –> class core::conformation::Conformation &
assign(self: pyrosetta.rosetta.protocols.environment.ProtectedConformation, : pyrosetta.rosetta.protocols.environment.ProtectedConformation) -> pyrosetta.rosetta.protocols.environment.ProtectedConformation
C++: protocols::environment::ProtectedConformation::operator=(const class protocols::environment::ProtectedConformation &) –> class protocols::environment::ProtectedConformation &
- atom_is_backbone_norefold(self: pyrosetta.rosetta.core.conformation.Conformation, pos: int, atomno: int) bool ¶
returns true if atom is part of backbone.
C++: core::conformation::Conformation::atom_is_backbone_norefold(unsigned long, unsigned long) const –> bool
- atom_tree(self: pyrosetta.rosetta.core.conformation.Conformation) core::kinematics::AtomTree ¶
Returns the conformation’s AtomTree
C++: core::conformation::Conformation::atom_tree() const –> const class core::kinematics::AtomTree &
- atoms_are_bonded(self: pyrosetta.rosetta.core.conformation.Conformation, id1: pyrosetta.rosetta.core.id.AtomID, id2: pyrosetta.rosetta.core.id.AtomID) bool ¶
Helper method to determine whether two atoms have a chemical bond linking them.
Intended for internal use, but there’s really no reason not to make this a public method. This works for atoms within the same residue or in different residues. AMW went and made this a public method.
Vikram K. Mulligan (vmullig.edu)
C++: core::conformation::Conformation::atoms_are_bonded(const class core::id::AtomID &, const class core::id::AtomID &) const –> bool
- backbone_torsion_angle_atoms(self: pyrosetta.rosetta.core.conformation.Conformation, id: core::id::TorsionID, id1: pyrosetta.rosetta.core.id.AtomID, id2: pyrosetta.rosetta.core.id.AtomID, id3: pyrosetta.rosetta.core.id.AtomID, id4: pyrosetta.rosetta.core.id.AtomID) bool ¶
get four backbone atoms which define this backbone torsion
Returns TRUE to signal FAILURE
C++: core::conformation::Conformation::backbone_torsion_angle_atoms(const class core::id::TorsionID &, class core::id::AtomID &, class core::id::AtomID &, class core::id::AtomID &, class core::id::AtomID &) const –> bool
- batch_get_xyz(self: pyrosetta.rosetta.core.conformation.Conformation, id: pyrosetta.rosetta.utility.vector1_core_id_AtomID, position: pyrosetta.rosetta.utility.vector1_numeric_xyzVector_double_t) None ¶
C++: core::conformation::Conformation::batch_get_xyz(const class utility::vector1<class core::id::AtomID, class std::allocator<class core::id::AtomID> > &, class utility::vector1<class numeric::xyzVector<double>, class std::allocator<class numeric::xyzVector<double> > > &) const –> void
- batch_set_xyz(self: pyrosetta.rosetta.protocols.environment.ProtectedConformation, id: pyrosetta.rosetta.utility.vector1_core_id_AtomID, position: pyrosetta.rosetta.utility.vector1_numeric_xyzVector_double_t) None ¶
C++: protocols::environment::ProtectedConformation::batch_set_xyz(const class utility::vector1<class core::id::AtomID, class std::allocator<class core::id::AtomID> > &, const class utility::vector1<class numeric::xyzVector<double>, class std::allocator<class numeric::xyzVector<double> > > &) –> void
- block_signals(self: pyrosetta.rosetta.core.conformation.Conformation) None ¶
block signals from being sent
C++: core::conformation::Conformation::block_signals() –> void
- blocking_signals(self: pyrosetta.rosetta.core.conformation.Conformation) bool ¶
are signals being blocked?
C++: core::conformation::Conformation::blocking_signals() const –> bool
- bond_angle(self: pyrosetta.rosetta.core.conformation.Conformation, atom1: pyrosetta.rosetta.core.id.AtomID, atom2: pyrosetta.rosetta.core.id.AtomID, atom3: pyrosetta.rosetta.core.id.AtomID) float ¶
Returns the bond angle defined by <atom[1-3]> through the AtomTree
C++: core::conformation::Conformation::bond_angle(const class core::id::AtomID &, const class core::id::AtomID &, const class core::id::AtomID &) const –> double
- bond_length(self: pyrosetta.rosetta.core.conformation.Conformation, atom1: pyrosetta.rosetta.core.id.AtomID, atom2: pyrosetta.rosetta.core.id.AtomID) float ¶
Returns the bond length between <atom1> and <atom2> through the AtomTree
C++: core::conformation::Conformation::bond_length(const class core::id::AtomID &, const class core::id::AtomID &) const –> double
- bond_orientation(*args, **kwargs)¶
Overloaded function.
bond_orientation(self: pyrosetta.rosetta.core.conformation.Conformation, atom1: pyrosetta.rosetta.core.id.AtomID, atom2: pyrosetta.rosetta.core.id.AtomID) -> pyrosetta.rosetta.numeric.xyzVector_double_t
Return the normalized vector of the bond between these two atoms.
C++: core::conformation::Conformation::bond_orientation(const class core::id::AtomID &, const class core::id::AtomID &) const –> class numeric::xyzVector<double>
bond_orientation(self: pyrosetta.rosetta.core.conformation.Conformation, torsion: core::id::TorsionID) -> pyrosetta.rosetta.numeric.xyzVector_double_t
Return the normalized vector of the bond about which this torsion angle twists.
C++: core::conformation::Conformation::bond_orientation(const class core::id::TorsionID) const –> class numeric::xyzVector<double>
- bonded_neighbor_all_res(*args, **kwargs)¶
Overloaded function.
bonded_neighbor_all_res(self: pyrosetta.rosetta.core.conformation.Conformation, atomid: pyrosetta.rosetta.core.id.AtomID) -> pyrosetta.rosetta.utility.vector1_core_id_AtomID
bonded_neighbor_all_res(self: pyrosetta.rosetta.core.conformation.Conformation, atomid: pyrosetta.rosetta.core.id.AtomID, virt: bool) -> pyrosetta.rosetta.utility.vector1_core_id_AtomID
bonded_neighbor_all_res(self: pyrosetta.rosetta.core.conformation.Conformation, atomid: pyrosetta.rosetta.core.id.AtomID, virt: bool, skip_canonical_and_solvent: bool) -> pyrosetta.rosetta.utility.vector1_core_id_AtomID
bonded_neighbor_all_res(self: pyrosetta.rosetta.core.conformation.Conformation, atomid: pyrosetta.rosetta.core.id.AtomID, virt: bool, skip_canonical_and_solvent: bool, intra_res: bool) -> pyrosetta.rosetta.utility.vector1_core_id_AtomID
bonded_neighbor_all_res(self: pyrosetta.rosetta.core.conformation.Conformation, atomid: pyrosetta.rosetta.core.id.AtomID, virt: bool, skip_canonical_and_solvent: bool, intra_res: bool, inter_res: bool) -> pyrosetta.rosetta.utility.vector1_core_id_AtomID
Get all atoms bonded to another
If intra_res is false, we only find inter - residue neighbors
C++: core::conformation::Conformation::bonded_neighbor_all_res(const class core::id::AtomID &, bool, bool, bool, bool) const –> class utility::vector1<class core::id::AtomID, class std::allocator<class core::id::AtomID> >
- buffer_signals(self: pyrosetta.rosetta.core.conformation.Conformation) None ¶
block signals from being sent and buffer them to be sent after unblocking
C++: core::conformation::Conformation::buffer_signals() –> void
- buffering_signals(self: pyrosetta.rosetta.core.conformation.Conformation) bool ¶
are signals being blocked and buffered?
C++: core::conformation::Conformation::buffering_signals() const –> bool
- chain_begin(self: pyrosetta.rosetta.core.conformation.Conformation, chain: int) int ¶
Returns the position number of the first residue in chain number <chain>
See the documentation of Pose::num_chains() for details about chain numbers, chain letters and jumps.
C++: core::conformation::Conformation::chain_begin(unsigned long) const –> unsigned long
- chain_end(self: pyrosetta.rosetta.core.conformation.Conformation, chain: int) int ¶
Returns the position number of the last residue in chain number <chain>
See the documentation of Pose::num_chains() for details about chain numbers, chain letters and jumps.
C++: core::conformation::Conformation::chain_end(unsigned long) const –> unsigned long
- chain_endings(self: pyrosetta.rosetta.protocols.environment.ProtectedConformation, : pyrosetta.rosetta.utility.vector1_unsigned_long) None ¶
C++: protocols::environment::ProtectedConformation::chain_endings(const class utility::vector1<unsigned long, class std::allocator<unsigned long> > &) –> void
- chains_from_termini(self: pyrosetta.rosetta.protocols.environment.ProtectedConformation) None ¶
C++: protocols::environment::ProtectedConformation::chains_from_termini() –> void
- check_valid_membrane(self: pyrosetta.rosetta.core.conformation.Conformation) None ¶
Check that a new membrane position is valid
Given a new membrane normal/center pair, check that the newly constructed stub represents an orthogonal coordinate frame
C++: core::conformation::Conformation::check_valid_membrane() const –> void
- clear(self: pyrosetta.rosetta.protocols.environment.ProtectedConformation) None ¶
C++: protocols::environment::ProtectedConformation::clear() –> void
- clear_glycan_trees(self: pyrosetta.rosetta.core.conformation.Conformation) None ¶
Safely detaches any tree observers and clears it to null.
C++: core::conformation::Conformation::clear_glycan_trees() –> void
- clear_observers(self: pyrosetta.rosetta.core.conformation.Conformation) None ¶
clear all observers
C++: core::conformation::Conformation::clear_observers() –> void
- clear_parameters_set_list(self: pyrosetta.rosetta.core.conformation.Conformation) None ¶
Delete the list of ParametersSetOP objects.
Vikram K. Mulligan (vmullig.edu)
C++: core::conformation::Conformation::clear_parameters_set_list() –> void
- clone(self: pyrosetta.rosetta.protocols.environment.ProtectedConformation) pyrosetta.rosetta.core.conformation.Conformation ¶
C++: protocols::environment::ProtectedConformation::clone() const –> class std::shared_ptr<class core::conformation::Conformation>
- const_residues(self: pyrosetta.rosetta.core.conformation.Conformation) pyrosetta.rosetta.utility.vector1_std_shared_ptr_const_core_conformation_Residue_t ¶
Inefficient – constructs copy of residues_
C++: core::conformation::Conformation::const_residues() const –> class utility::vector1<class std::shared_ptr<const class core::conformation::Residue>, class std::allocator<class std::shared_ptr<const class core::conformation::Residue> > >
- contains_carbohydrate_residues(*args, **kwargs)¶
Overloaded function.
contains_carbohydrate_residues(self: pyrosetta.rosetta.core.conformation.Conformation) -> bool
Return true if this conformation contains any carbohydrate residues.
C++: core::conformation::Conformation::contains_carbohydrate_residues() const –> bool
contains_carbohydrate_residues(self: pyrosetta.rosetta.core.conformation.Conformation, setting: bool) -> None
Set whether this conformation contains any carbohydrate residues.
C++: core::conformation::Conformation::contains_carbohydrate_residues(bool) –> void
- copy_segment(self: pyrosetta.rosetta.core.conformation.Conformation, size: int, src: pyrosetta.rosetta.core.conformation.Conformation, begin: int, src_begin: int) None ¶
copy a stretch of coordinates/torsions from another Conformation
C++: core::conformation::Conformation::copy_segment(unsigned long, const class core::conformation::Conformation &, unsigned long, unsigned long) –> void
- create_new_parameters_set(self: pyrosetta.rosetta.core.conformation.Conformation) None ¶
- Create a new (empty) ParametersSet object and add its owning pointer
to the current Conformation object.
Vikram K. Mulligan (vmullig.edu)
C++: core::conformation::Conformation::create_new_parameters_set() –> void
- debug_pause(*args, **kwargs)¶
Overloaded function.
debug_pause(self: pyrosetta.rosetta.core.conformation.Conformation, flag: bool) -> None
wait for stdin after sending a GeneralEvent signal
C++: core::conformation::Conformation::debug_pause(bool) const –> void
debug_pause(self: pyrosetta.rosetta.core.conformation.Conformation) -> bool
waiting for stdin after sending a GeneralEvent signal?
C++: core::conformation::Conformation::debug_pause() const –> bool
- debug_residue_torsions(*args, **kwargs)¶
Overloaded function.
debug_residue_torsions(self: pyrosetta.rosetta.core.conformation.Conformation) -> None
debug_residue_torsions(self: pyrosetta.rosetta.core.conformation.Conformation, verbose: bool) -> None
debugging
C++: core::conformation::Conformation::debug_residue_torsions(bool) const –> void
- declare_chemical_bond(self: pyrosetta.rosetta.protocols.environment.ProtectedConformation, : int, : str, : int, : str) None ¶
C++: protocols::environment::ProtectedConformation::declare_chemical_bond(const unsigned long, const std::string &, const unsigned long, const std::string &) –> void
- delete_chain_ending(self: pyrosetta.rosetta.protocols.environment.ProtectedConformation, : int) None ¶
C++: protocols::environment::ProtectedConformation::delete_chain_ending(const unsigned long) –> void
- delete_polymer_residue(self: pyrosetta.rosetta.protocols.environment.ProtectedConformation, : int) None ¶
C++: protocols::environment::ProtectedConformation::delete_polymer_residue(const unsigned long) –> void
- delete_residue_range_slow(self: pyrosetta.rosetta.protocols.environment.ProtectedConformation, range_begin: int, range_end: int) None ¶
C++: protocols::environment::ProtectedConformation::delete_residue_range_slow(const unsigned long, const unsigned long) –> void
- delete_residue_slow(self: pyrosetta.rosetta.protocols.environment.ProtectedConformation, : int) None ¶
C++: protocols::environment::ProtectedConformation::delete_residue_slow(const unsigned long) –> void
- detached_copy(self: pyrosetta.rosetta.core.conformation.Conformation, src: pyrosetta.rosetta.core.conformation.Conformation) None ¶
- copy the other conformation into this, but make sure that the two
share no possibly-non-bitwise-const data nor do they refer to each other (as the AtomTree does with its topological observer system).
C++: core::conformation::Conformation::detached_copy(const class core::conformation::Conformation &) –> void
- detect_bonds(self: pyrosetta.rosetta.core.conformation.Conformation) None ¶
C++: core::conformation::Conformation::detect_bonds() –> void
- detect_disulfides(*args, **kwargs)¶
Overloaded function.
detect_disulfides(self: pyrosetta.rosetta.core.conformation.Conformation, disulfs: pyrosetta.rosetta.utility.vector1_std_pair_unsigned_long_unsigned_long_t) -> None
- Detect existing disulfides from the protein structure,
using the provided pairs as a starting point
C++: core::conformation::Conformation::detect_disulfides(const class utility::vector1<struct std::pair<unsigned long, unsigned long>, class std::allocator<struct std::pair<unsigned long, unsigned long> > > &) –> void
detect_disulfides(self: pyrosetta.rosetta.core.conformation.Conformation) -> None
Detect existing disulfides from the protein structure.
Non-virtual, simply defers to the virtual function with an empty parameter.
C++: core::conformation::Conformation::detect_disulfides() –> void
- detect_pseudobonds(self: pyrosetta.rosetta.core.conformation.Conformation) None ¶
C++: core::conformation::Conformation::detect_pseudobonds() –> void
- dof(self: pyrosetta.rosetta.core.conformation.Conformation, id: pyrosetta.rosetta.core.id.DOF_ID) float ¶
Returns the AtomTree degree of freedom (DOF) <id>
C++: core::conformation::Conformation::dof(const class core::id::DOF_ID &) const –> double
- dof_id_from_atom_ids(*args, **kwargs)¶
Overloaded function.
dof_id_from_atom_ids(self: pyrosetta.rosetta.core.conformation.Conformation, id1: pyrosetta.rosetta.core.id.AtomID, id2: pyrosetta.rosetta.core.id.AtomID, id3: pyrosetta.rosetta.core.id.AtomID, id4: pyrosetta.rosetta.core.id.AtomID) -> pyrosetta.rosetta.core.id.DOF_ID
Get the DOF_ID corresponding to the torsion angle defined by these four atoms.
C++: core::conformation::Conformation::dof_id_from_atom_ids(const class core::id::AtomID &, const class core::id::AtomID &, const class core::id::AtomID &, const class core::id::AtomID &) const –> class core::id::DOF_ID
dof_id_from_atom_ids(self: pyrosetta.rosetta.core.conformation.Conformation, id1: pyrosetta.rosetta.core.id.AtomID, id2: pyrosetta.rosetta.core.id.AtomID, id3: pyrosetta.rosetta.core.id.AtomID) -> pyrosetta.rosetta.core.id.DOF_ID
Get the DOF_ID corresponding to the bond angle defined by these three atoms.
C++: core::conformation::Conformation::dof_id_from_atom_ids(const class core::id::AtomID &, const class core::id::AtomID &, const class core::id::AtomID &) const –> class core::id::DOF_ID
dof_id_from_atom_ids(self: pyrosetta.rosetta.core.conformation.Conformation, id1: pyrosetta.rosetta.core.id.AtomID, id2: pyrosetta.rosetta.core.id.AtomID) -> pyrosetta.rosetta.core.id.DOF_ID
Get the DOF_ID corresponding to the bond distance defined by these two atoms.
C++: core::conformation::Conformation::dof_id_from_atom_ids(const class core::id::AtomID &, const class core::id::AtomID &) const –> class core::id::DOF_ID
dof_id_from_atom_ids(self: pyrosetta.rosetta.core.conformation.Conformation, ids: pyrosetta.rosetta.utility.vector1_core_id_AtomID) -> pyrosetta.rosetta.core.id.DOF_ID
Get the DOF_ID defined by these atoms.
C++: core::conformation::Conformation::dof_id_from_atom_ids(const class utility::vector1<class core::id::AtomID, class std::allocator<class core::id::AtomID> > &) const –> class core::id::DOF_ID
- dof_id_from_torsion_id(self: pyrosetta.rosetta.core.conformation.Conformation, id: core::id::TorsionID) pyrosetta.rosetta.core.id.DOF_ID ¶
Get the DOF_ID corresponding to this TorsionID.
C++: core::conformation::Conformation::dof_id_from_torsion_id(const class core::id::TorsionID &) const –> class core::id::DOF_ID
- downstream_jump_stub(self: pyrosetta.rosetta.core.conformation.Conformation, jump_number: int) core::kinematics::Stub ¶
The upstream and downstream Stubs are the coordinate frames between which this jump is transforming
C++: core::conformation::Conformation::downstream_jump_stub(int) const –> class core::kinematics::Stub
- empty(self: pyrosetta.rosetta.core.conformation.Conformation) bool ¶
Returns true if this conformation does not have any residues
C++: core::conformation::Conformation::empty() const –> bool
- env_destruction(self: pyrosetta.rosetta.protocols.environment.ProtectedConformation) None ¶
C++: protocols::environment::ProtectedConformation::env_destruction() –> void
- environment(self: pyrosetta.rosetta.protocols.environment.ProtectedConformation) pyrosetta.rosetta.std.weak_ptr_const_protocols_environment_Environment_t ¶
C++: protocols::environment::ProtectedConformation::environment() const –> class std::weak_ptr<const class protocols::environment::Environment>
- fill_missing_atoms(self: pyrosetta.rosetta.protocols.environment.ProtectedConformation, missing: pyrosetta.rosetta.core.id.AtomID_Map_bool_t) None ¶
C++: protocols::environment::ProtectedConformation::fill_missing_atoms(class core::id::AtomID_Map<bool>) –> void
- fix_disulfides(self: pyrosetta.rosetta.protocols.environment.ProtectedConformation, : pyrosetta.rosetta.utility.vector1_std_pair_unsigned_long_unsigned_long_t) None ¶
C++: protocols::environment::ProtectedConformation::fix_disulfides(const class utility::vector1<struct std::pair<unsigned long, unsigned long>, class std::allocator<struct std::pair<unsigned long, unsigned long> > > &) –> void
- fold_tree(self: pyrosetta.rosetta.protocols.environment.ProtectedConformation, : pyrosetta.rosetta.core.kinematics.FoldTree) None ¶
C++: protocols::environment::ProtectedConformation::fold_tree(const class core::kinematics::FoldTree &) –> void
- get_jump_atom_ids(self: pyrosetta.rosetta.core.conformation.Conformation, jump_number: int, upstream_id: pyrosetta.rosetta.core.id.AtomID, downstream_id: pyrosetta.rosetta.core.id.AtomID) bool ¶
get two atoms connect by jump
C++: core::conformation::Conformation::get_jump_atom_ids(unsigned long, class core::id::AtomID &, class core::id::AtomID &) const –> bool
- get_residue_mask(self: pyrosetta.rosetta.core.conformation.Conformation) pyrosetta.rosetta.utility.vector1_bool ¶
returns a mask of residues to be used in scoring
C++: core::conformation::Conformation::get_residue_mask() const –> class utility::vector1<bool, class std::allocator<bool> >
- get_residue_weight(self: pyrosetta.rosetta.core.conformation.Conformation, : int, : int) float ¶
returns a residue-pair weight
C++: core::conformation::Conformation::get_residue_weight(unsigned long, unsigned long) const –> double
- get_self_ptr(self: pyrosetta.rosetta.core.conformation.Conformation) pyrosetta.rosetta.core.conformation.Conformation ¶
C++: core::conformation::Conformation::get_self_ptr() –> class std::shared_ptr<class core::conformation::Conformation>
- get_self_weak_ptr(self: pyrosetta.rosetta.core.conformation.Conformation) pyrosetta.rosetta.std.weak_ptr_core_conformation_Conformation_t ¶
C++: core::conformation::Conformation::get_self_weak_ptr() –> class std::weak_ptr<class core::conformation::Conformation>
- get_stub_transform(self: pyrosetta.rosetta.core.conformation.Conformation, stub_id1: pyrosetta.rosetta.core.id.StubID, stub_id2: pyrosetta.rosetta.core.id.StubID) core::kinematics::RT ¶
get the transform between two stubs
C++: core::conformation::Conformation::get_stub_transform(const class core::id::StubID &, const class core::id::StubID &) const –> class core::kinematics::RT
- get_torsion_angle_atom_ids(self: pyrosetta.rosetta.core.conformation.Conformation, tor_id: core::id::TorsionID, id1: pyrosetta.rosetta.core.id.AtomID, id2: pyrosetta.rosetta.core.id.AtomID, id3: pyrosetta.rosetta.core.id.AtomID, id4: pyrosetta.rosetta.core.id.AtomID) bool ¶
get four atoms which defined this torsion
C++: core::conformation::Conformation::get_torsion_angle_atom_ids(const class core::id::TorsionID &, class core::id::AtomID &, class core::id::AtomID &, class core::id::AtomID &, class core::id::AtomID &) const –> bool
- glycan_tree_set(self: pyrosetta.rosetta.core.conformation.Conformation) core::conformation::carbohydrates::GlycanTreeSet ¶
Get the glycan tree set. Nullptr if not present.
C++: core::conformation::Conformation::glycan_tree_set() const –> class std::shared_ptr<const class core::conformation::carbohydrates::GlycanTreeSet>
- has_passport(self: pyrosetta.rosetta.core.conformation.Conformation) bool ¶
C++: core::conformation::Conformation::has_passport() const –> bool
- insert_chain_ending(self: pyrosetta.rosetta.protocols.environment.ProtectedConformation, : int) None ¶
C++: protocols::environment::ProtectedConformation::insert_chain_ending(const unsigned long) –> void
- insert_conformation_by_jump(*args, **kwargs)¶
Overloaded function.
insert_conformation_by_jump(self: pyrosetta.rosetta.protocols.environment.ProtectedConformation, : pyrosetta.rosetta.core.conformation.Conformation, : int, : int, : int, : int) -> None
insert_conformation_by_jump(self: pyrosetta.rosetta.protocols.environment.ProtectedConformation, : pyrosetta.rosetta.core.conformation.Conformation, : int, : int, : int, : int, : str) -> None
insert_conformation_by_jump(self: pyrosetta.rosetta.protocols.environment.ProtectedConformation, : pyrosetta.rosetta.core.conformation.Conformation, : int, : int, : int, : int, : str, : str) -> None
C++: protocols::environment::ProtectedConformation::insert_conformation_by_jump(const class core::conformation::Conformation &, const unsigned long, const unsigned long, const unsigned long, const unsigned long, const std::string &, const std::string &) –> void
- insert_ideal_geometry_at_polymer_bond(self: pyrosetta.rosetta.protocols.environment.ProtectedConformation, seqpos: int) None ¶
C++: protocols::environment::ProtectedConformation::insert_ideal_geometry_at_polymer_bond(const unsigned long) –> void
- insert_ideal_geometry_at_residue_connection(self: pyrosetta.rosetta.protocols.environment.ProtectedConformation, pos1: int, connid1: int) None ¶
C++: protocols::environment::ProtectedConformation::insert_ideal_geometry_at_residue_connection(const unsigned long, const unsigned long) –> void
- insert_residue_by_bond(*args, **kwargs)¶
Overloaded function.
insert_residue_by_bond(self: pyrosetta.rosetta.core.conformation.Conformation, new_rsd_in: pyrosetta.rosetta.core.conformation.Residue, seqpos: int, anchor_pos: int) -> None
insert_residue_by_bond(self: pyrosetta.rosetta.core.conformation.Conformation, new_rsd_in: pyrosetta.rosetta.core.conformation.Residue, seqpos: int, anchor_pos: int, build_ideal_geometry: bool) -> None
insert_residue_by_bond(self: pyrosetta.rosetta.core.conformation.Conformation, new_rsd_in: pyrosetta.rosetta.core.conformation.Residue, seqpos: int, anchor_pos: int, build_ideal_geometry: bool, anchor_atom: str) -> None
insert_residue_by_bond(self: pyrosetta.rosetta.core.conformation.Conformation, new_rsd_in: pyrosetta.rosetta.core.conformation.Residue, seqpos: int, anchor_pos: int, build_ideal_geometry: bool, anchor_atom: str, root_atom: str) -> None
insert_residue_by_bond(self: pyrosetta.rosetta.core.conformation.Conformation, new_rsd_in: pyrosetta.rosetta.core.conformation.Residue, seqpos: int, anchor_pos: int, build_ideal_geometry: bool, anchor_atom: str, root_atom: str, new_chain: bool) -> None
insert_residue_by_bond(self: pyrosetta.rosetta.core.conformation.Conformation, new_rsd_in: pyrosetta.rosetta.core.conformation.Residue, seqpos: int, anchor_pos: int, build_ideal_geometry: bool, anchor_atom: str, root_atom: str, new_chain: bool, lookup_bond_length: bool) -> None
- Insert a new residue by jump. If new_chain is “true”, then seqpos must be the last
residue of one chain (i.e. residue(seqpos).chain() != residue(seqpos+1).chain() )
C++: core::conformation::Conformation::insert_residue_by_bond(const class core::conformation::Residue &, const unsigned long, unsigned long, const bool, const std::string &, const std::string &, bool, const bool) –> void
- insert_residue_by_jump(*args, **kwargs)¶
Overloaded function.
insert_residue_by_jump(self: pyrosetta.rosetta.core.conformation.Conformation, new_rsd_in: pyrosetta.rosetta.core.conformation.Residue, seqpos: int, anchor_pos: int) -> None
insert_residue_by_jump(self: pyrosetta.rosetta.core.conformation.Conformation, new_rsd_in: pyrosetta.rosetta.core.conformation.Residue, seqpos: int, anchor_pos: int, anchor_atom: str) -> None
insert_residue_by_jump(self: pyrosetta.rosetta.core.conformation.Conformation, new_rsd_in: pyrosetta.rosetta.core.conformation.Residue, seqpos: int, anchor_pos: int, anchor_atom: str, root_atom: str) -> None
insert_residue_by_jump(self: pyrosetta.rosetta.core.conformation.Conformation, new_rsd_in: pyrosetta.rosetta.core.conformation.Residue, seqpos: int, anchor_pos: int, anchor_atom: str, root_atom: str, new_chain: bool) -> None
- Insert a new residue by jump. If new_chain is “true”, then seqpos must be the last
residue of one chain (i.e. residue(seqpos).chain() != residue(seqpos+1).chain() )
C++: core::conformation::Conformation::insert_residue_by_jump(const class core::conformation::Residue &, unsigned long, unsigned long, const std::string &, const std::string &, bool) –> void
- inter_residue_connection_partner(self: pyrosetta.rosetta.core.conformation.Conformation, seqpos: int, connection_index: int) pyrosetta.rosetta.core.id.AtomID ¶
- This returns the AtomID of the atom in the other residue to which the “connection_index”-th
connection of residue seqpos is connected to.
C++: core::conformation::Conformation::inter_residue_connection_partner(unsigned long, int) const –> class core::id::AtomID
- is_bonded(*args, **kwargs)¶
Overloaded function.
is_bonded(self: pyrosetta.rosetta.core.conformation.Conformation, atomid1: pyrosetta.rosetta.core.id.AtomID, atomid2: pyrosetta.rosetta.core.id.AtomID) -> bool
is_bonded(self: pyrosetta.rosetta.core.conformation.Conformation, atomid1: pyrosetta.rosetta.core.id.AtomID, atomid2: pyrosetta.rosetta.core.id.AtomID, virt: bool) -> bool
is_bonded(self: pyrosetta.rosetta.core.conformation.Conformation, atomid1: pyrosetta.rosetta.core.id.AtomID, atomid2: pyrosetta.rosetta.core.id.AtomID, virt: bool, skip_canonical_and_solvent: bool) -> bool
Returns a boolean for two atomIDs to be bonded.
Uses bonded_neighbor_all_res, which iterates through residue connections. To speed up, we would need to turn the connects into a proper bonded graph
C++: core::conformation::Conformation::is_bonded(const class core::id::AtomID &, const class core::id::AtomID &, bool, bool) const –> bool
- is_centroid(self: pyrosetta.rosetta.core.conformation.Conformation) bool ¶
convenience test for residue_type_set mode
C++: core::conformation::Conformation::is_centroid() const –> bool
- is_fullatom(self: pyrosetta.rosetta.core.conformation.Conformation) bool ¶
convenience test for residue_type_set mode
C++: core::conformation::Conformation::is_fullatom() const –> bool
- is_membrane(self: pyrosetta.rosetta.core.conformation.Conformation) bool ¶
convenience test for if the conformation contains information for a membrane protein
C++: core::conformation::Conformation::is_membrane() const –> bool
- is_mixed_mode(self: pyrosetta.rosetta.core.conformation.Conformation) bool ¶
convenience test for residue_type_set mode
C++: core::conformation::Conformation::is_mixed_mode() const –> bool
- is_protected(self: pyrosetta.rosetta.protocols.environment.ProtectedConformation) bool ¶
C++: protocols::environment::ProtectedConformation::is_protected() const –> bool
- jump(*args, **kwargs)¶
Overloaded function.
jump(self: pyrosetta.rosetta.core.conformation.Conformation, jump_number: int) -> core::kinematics::Jump
Returns the Jump with jump number <jump_number>
C++: core::conformation::Conformation::jump(int) const –> const class core::kinematics::Jump &
jump(self: pyrosetta.rosetta.core.conformation.Conformation, id: pyrosetta.rosetta.core.id.AtomID) -> core::kinematics::Jump
access a jump
C++: core::conformation::Conformation::jump(const class core::id::AtomID &) const –> const class core::kinematics::Jump &
- jump_atom_id(self: pyrosetta.rosetta.core.conformation.Conformation, jump_number: int) pyrosetta.rosetta.core.id.AtomID ¶
C++: core::conformation::Conformation::jump_atom_id(int) const –> class core::id::AtomID
- match_variants(self: pyrosetta.rosetta.protocols.environment.ProtectedConformation, seqpos: int, in_rsd: pyrosetta.rosetta.core.conformation.Residue) pyrosetta.rosetta.core.conformation.Residue ¶
C++: protocols::environment::ProtectedConformation::match_variants(unsigned long, const class core::conformation::Residue &) const –> class std::shared_ptr<class core::conformation::Residue>
- membrane_info(self: pyrosetta.rosetta.core.conformation.Conformation) core::conformation::membrane::MembraneInfo ¶
Returns the const MembraneInfo object in conformation
Membrane Info contains information describing location of the membrane virtual residue in the pose sequence, membrane spanning region definitions and lipid exposure/burial data
C++: core::conformation::Conformation::membrane_info() –> class std::shared_ptr<class core::conformation::membrane::MembraneInfo>
- modifiable_residue_type_set_for_conf(*args, **kwargs)¶
Overloaded function.
modifiable_residue_type_set_for_conf(self: pyrosetta.rosetta.core.conformation.Conformation) -> pyrosetta.rosetta.core.chemical.PoseResidueTypeSet
modifiable_residue_type_set_for_conf(self: pyrosetta.rosetta.core.conformation.Conformation, mode: pyrosetta.rosetta.core.chemical.TypeSetMode) -> pyrosetta.rosetta.core.chemical.PoseResidueTypeSet
- Return a clone of the Conformation-specific PoseResidueTypeSet (note this is const)
Modifications to this RTS won’t be seen in the Conformation unless you pass it back in with reset_residue_type_set_for_conf() Should always return a non-null pointer: will create a new PoseResidueTypeSet if the Conformation doesn’t have it already.
C++: core::conformation::Conformation::modifiable_residue_type_set_for_conf(enum core::chemical::TypeSetMode) const –> class std::shared_ptr<class core::chemical::PoseResidueTypeSet>
- n_parameters_sets(self: pyrosetta.rosetta.core.conformation.Conformation) int ¶
Get the number of parameters sets defined for this Conformation.
Vikram K. Mulligan (vmullig.edu)
C++: core::conformation::Conformation::n_parameters_sets() const –> unsigned long
- num_chains(self: pyrosetta.rosetta.core.conformation.Conformation) int ¶
Returns the number of chains
See the documentation of Pose::num_chains() for details about chain numbers, chain letters and jumps.
C++: core::conformation::Conformation::num_chains() const –> unsigned long
- parameters_set(self: pyrosetta.rosetta.core.conformation.Conformation, index: int) core::conformation::parametric::ParametersSet ¶
Access one of the ParametersSets objects linked to this Conformation.
Vikram K. Mulligan (vmullig.edu)
C++: core::conformation::Conformation::parameters_set(const unsigned long) –> class std::shared_ptr<class core::conformation::parametric::ParametersSet>
- pop_passport(self: pyrosetta.rosetta.core.conformation.Conformation) core::environment::DofPassport ¶
C++: core::conformation::Conformation::pop_passport() –> class std::shared_ptr<const class core::environment::DofPassport>
- prepend_polymer_residue_before_seqpos(self: pyrosetta.rosetta.protocols.environment.ProtectedConformation, : pyrosetta.rosetta.core.conformation.Residue, : int, : bool) None ¶
C++: protocols::environment::ProtectedConformation::prepend_polymer_residue_before_seqpos(const class core::conformation::Residue &, const unsigned long, const bool) –> void
- push_passport(self: pyrosetta.rosetta.core.conformation.Conformation, : core::environment::DofPassport) None ¶
C++: core::conformation::Conformation::push_passport(class std::shared_ptr<const class core::environment::DofPassport>) –> void
- rebuild_polymer_bond_dependent_atoms(self: pyrosetta.rosetta.protocols.environment.ProtectedConformation, : int) None ¶
C++: protocols::environment::ProtectedConformation::rebuild_polymer_bond_dependent_atoms(const unsigned long) –> void
- rebuild_polymer_bond_dependent_atoms_this_residue_only(self: pyrosetta.rosetta.core.conformation.Conformation, seqpos: int) None ¶
Rebuilds the atoms that are dependent on polymer bonds for the specified residue only.
Vikram K. Mulligan (vmullig.edu)
C++: core::conformation::Conformation::rebuild_polymer_bond_dependent_atoms_this_residue_only(const unsigned long) –> void
- rebuild_residue_connection_dependent_atoms(self: pyrosetta.rosetta.core.conformation.Conformation, seqpos: int, connid: int) None ¶
C++: core::conformation::Conformation::rebuild_residue_connection_dependent_atoms(unsigned long, unsigned long) –> void
- receive_observers_from(self: pyrosetta.rosetta.core.conformation.Conformation, src: pyrosetta.rosetta.core.conformation.Conformation) None ¶
fire a ConnectionEvent::TRANSFER to transfer observers from some source Conformation
C++: core::conformation::Conformation::receive_observers_from(const class core::conformation::Conformation &) –> void
- replace_residue(*args, **kwargs)¶
Overloaded function.
replace_residue(self: pyrosetta.rosetta.protocols.environment.ProtectedConformation, seqpos: int, new_rsd: pyrosetta.rosetta.core.conformation.Residue, atom_pairs: pyrosetta.rosetta.utility.vector1_std_pair_std_string_std_string_t) -> None
C++: protocols::environment::ProtectedConformation::replace_residue(const unsigned long, const class core::conformation::Residue &, const class utility::vector1<struct std::pair<std::string, std::string >, class std::allocator<struct std::pair<std::string, std::string > > > &) –> void
replace_residue(self: pyrosetta.rosetta.protocols.environment.ProtectedConformation, seqpos: int, new_rsd: pyrosetta.rosetta.core.conformation.Residue, orient_backbone: bool) -> None
C++: protocols::environment::ProtectedConformation::replace_residue(const unsigned long, const class core::conformation::Residue &, const bool) –> void
- reset_chain_endings(self: pyrosetta.rosetta.protocols.environment.ProtectedConformation) None ¶
C++: protocols::environment::ProtectedConformation::reset_chain_endings() –> void
- reset_move_data(self: pyrosetta.rosetta.protocols.environment.ProtectedConformation) None ¶
C++: protocols::environment::ProtectedConformation::reset_move_data() –> void
- reset_residue_type_set_for_conf(*args, **kwargs)¶
Overloaded function.
reset_residue_type_set_for_conf(self: pyrosetta.rosetta.core.conformation.Conformation, new_set: pyrosetta.rosetta.core.chemical.PoseResidueTypeSet) -> None
reset_residue_type_set_for_conf(self: pyrosetta.rosetta.core.conformation.Conformation, new_set: pyrosetta.rosetta.core.chemical.PoseResidueTypeSet, mode: pyrosetta.rosetta.core.chemical.TypeSetMode) -> None
- Reset the Conformation-specific PoseResidueTypeSet for the appropriate mode to the given RTS.
(If the given mode is INVALID_t (the recommended default) the mode will be auto-determined from the RTS.)
NOTE: You’re potentially in for a bunch of trouble if the passed in set isn’t a modified version of the value returned by modifiable_residue_type_set_for_conf() from this conformation. Also, a clone of the RTS is made, so subsequent edits to the RTS will not be reflected in the Conformation’s RTS
C++: core::conformation::Conformation::reset_residue_type_set_for_conf(class std::shared_ptr<const class core::chemical::PoseResidueTypeSet>, enum core::chemical::TypeSetMode) –> void
- reset_structure_moved(self: pyrosetta.rosetta.core.conformation.Conformation) None ¶
reset the structure_moved_ bool
C++: core::conformation::Conformation::reset_structure_moved() const –> void
- residue(self: pyrosetta.rosetta.core.conformation.Conformation, seqpos: int) pyrosetta.rosetta.core.conformation.Residue ¶
access one of the residues
this access is inlined, since otherwise it shows up in the profiler. This will call non-inlined refold methods if necessary.
update coordinates and torsions for this and all other residues before allowing read access
C++: core::conformation::Conformation::residue(unsigned long) const –> const class core::conformation::Residue &
- residue_cop(self: pyrosetta.rosetta.core.conformation.Conformation, seqpos: int) pyrosetta.rosetta.core.conformation.Residue ¶
access one of the residues, using COP
C++: core::conformation::Conformation::residue_cop(unsigned long) const –> class std::shared_ptr<const class core::conformation::Residue>
- residue_data(self: pyrosetta.rosetta.core.conformation.Conformation, seqpos: int) pyrosetta.rosetta.basic.datacache.BasicDataCache ¶
- Write access to the datacache array stored inside a Residue object. Although the Conformation
very deliberately does not grant users write access to the whole of its Residue objects, it will grant users access to the Residue objects data cache. So while the coordinates and dihedrals of the Residue will not be changable e.g. during the setup-for-scoring phase, data derived from those coordinates and dihedrals and which ends up living in the Residue will be changable.
The purpose of the residue-level data cache is so that scoring terms may store coordinate-derived information in a Residue (perhaps a Residue that does not belong to a %Conformation) so that it can be used during scoring evaluation. Accessing the residue_data will trigger a coordinate (or torsion) update.
C++: core::conformation::Conformation::residue_data(unsigned long) –> class basic::datacache::BasicDataCache &
- residue_type(self: pyrosetta.rosetta.core.conformation.Conformation, seqpos: int) pyrosetta.rosetta.core.chemical.ResidueType ¶
access one of the residue’s types – avoids coord/torsion update
C++: core::conformation::Conformation::residue_type(unsigned long) const –> const class core::chemical::ResidueType &
- residue_type_ptr(self: pyrosetta.rosetta.core.conformation.Conformation, seqpos: int) pyrosetta.rosetta.core.chemical.ResidueType ¶
access one of the residue’s types as a COP – avoids coord/torsion update
C++: core::conformation::Conformation::residue_type_ptr(unsigned long) const –> class std::shared_ptr<const class core::chemical::ResidueType>
- residue_type_set_for_conf(*args, **kwargs)¶
Overloaded function.
residue_type_set_for_conf(self: pyrosetta.rosetta.core.conformation.Conformation) -> pyrosetta.rosetta.core.chemical.ResidueTypeSet
residue_type_set_for_conf(self: pyrosetta.rosetta.core.conformation.Conformation, mode: pyrosetta.rosetta.core.chemical.TypeSetMode) -> pyrosetta.rosetta.core.chemical.ResidueTypeSet
- Return the appropriate ResidueTypeSet for the Conformation
If mode is INVALID_t (the default), then return the typeset for the majority mode of the Conformation. Note: This may be a GlobalResidueTypeSet, if the Conformation doesn’t have a specific PoseResidueTypeSet
C++: core::conformation::Conformation::residue_type_set_for_conf(enum core::chemical::TypeSetMode) const –> class std::shared_ptr<const class core::chemical::ResidueTypeSet>
- residue_typeset_mode(*args, **kwargs)¶
Overloaded function.
residue_typeset_mode(self: pyrosetta.rosetta.core.conformation.Conformation) -> pyrosetta.rosetta.core.chemical.TypeSetMode
residue_typeset_mode(self: pyrosetta.rosetta.core.conformation.Conformation, majority: bool) -> pyrosetta.rosetta.core.chemical.TypeSetMode
- What mode of ResidueTypeSet is this Conformation made of?
If majority is true, it will be the mode of the ResidueTypes for most residues in the pose. If majority is false, core::chemical::MIXED_t will be returned for conformations with ResidueTypes of multiple modes
C++: core::conformation::Conformation::residue_typeset_mode(bool) const –> enum core::chemical::TypeSetMode
- resolve_partial_atom_id(self: pyrosetta.rosetta.core.conformation.Conformation, partial_id: core::id::PartialAtomID) pyrosetta.rosetta.core.id.AtomID ¶
Resolve a partial atom ID into an AtomID that is specific for this %Conformation
C++: core::conformation::Conformation::resolve_partial_atom_id(const class core::id::PartialAtomID &) const –> class core::id::AtomID
- resolver(self: pyrosetta.rosetta.protocols.environment.ProtectedConformation) pyrosetta.rosetta.core.environment.SequenceAnnotation ¶
C++: protocols::environment::ProtectedConformation::resolver() const –> class std::shared_ptr<const class core::environment::SequenceAnnotation>
- safely_append_polymer_residue_after_seqpos(self: pyrosetta.rosetta.protocols.environment.ProtectedConformation, : pyrosetta.rosetta.core.conformation.Residue, : int, : bool) None ¶
C++: protocols::environment::ProtectedConformation::safely_append_polymer_residue_after_seqpos(const class core::conformation::Residue &, const unsigned long, const bool) –> void
- safely_prepend_polymer_residue_before_seqpos(self: pyrosetta.rosetta.protocols.environment.ProtectedConformation, : pyrosetta.rosetta.core.conformation.Residue, : int, : bool) None ¶
C++: protocols::environment::ProtectedConformation::safely_prepend_polymer_residue_before_seqpos(const class core::conformation::Residue &, const unsigned long, const bool) –> void
- same_type_as_me(self: pyrosetta.rosetta.protocols.environment.ProtectedConformation, other: pyrosetta.rosetta.core.conformation.Conformation, recurse: bool) bool ¶
C++: protocols::environment::ProtectedConformation::same_type_as_me(const class core::conformation::Conformation &, const bool) const –> bool
- secstruct(self: pyrosetta.rosetta.core.conformation.Conformation, seqpos: int) str ¶
Returns the secondary structure the position <seqpos>
character representing secondary structure; returns ‘L’ if the requested sequence position is larger than the length in the secondary structure array
C++: core::conformation::Conformation::secstruct(unsigned long) const –> char
- sequence_matches(self: pyrosetta.rosetta.core.conformation.Conformation, other: pyrosetta.rosetta.core.conformation.Conformation) bool ¶
do the names of all residues in this and src match?
C++: core::conformation::Conformation::sequence_matches(const class core::conformation::Conformation &) const –> bool
- set_bond_angle(self: pyrosetta.rosetta.protocols.environment.ProtectedConformation, atom1: pyrosetta.rosetta.core.id.AtomID, atom2: pyrosetta.rosetta.core.id.AtomID, atom3: pyrosetta.rosetta.core.id.AtomID, setting: float) None ¶
C++: protocols::environment::ProtectedConformation::set_bond_angle(const class core::id::AtomID &, const class core::id::AtomID &, const class core::id::AtomID &, const double) –> void
- set_bond_length(self: pyrosetta.rosetta.protocols.environment.ProtectedConformation, atom1: pyrosetta.rosetta.core.id.AtomID, atom2: pyrosetta.rosetta.core.id.AtomID, setting: float) None ¶
C++: protocols::environment::ProtectedConformation::set_bond_length(const class core::id::AtomID &, const class core::id::AtomID &, const double) –> void
- set_dof(self: pyrosetta.rosetta.protocols.environment.ProtectedConformation, id: pyrosetta.rosetta.core.id.DOF_ID, setting: float) None ¶
C++: protocols::environment::ProtectedConformation::set_dof(const class core::id::DOF_ID &, const double) –> void
- set_jump(*args, **kwargs)¶
Overloaded function.
set_jump(self: pyrosetta.rosetta.protocols.environment.ProtectedConformation, : pyrosetta.rosetta.core.id.AtomID, : pyrosetta.rosetta.core.kinematics.Jump) -> None
C++: protocols::environment::ProtectedConformation::set_jump(const class core::id::AtomID &, const class core::kinematics::Jump &) –> void
set_jump(self: pyrosetta.rosetta.protocols.environment.ProtectedConformation, : int, : pyrosetta.rosetta.core.kinematics.Jump) -> None
C++: protocols::environment::ProtectedConformation::set_jump(const int, const class core::kinematics::Jump &) –> void
- set_jump_atom_stub_id(self: pyrosetta.rosetta.core.conformation.Conformation, id: pyrosetta.rosetta.core.id.StubID) None ¶
C++: core::conformation::Conformation::set_jump_atom_stub_id(const class core::id::StubID &) –> void
- set_membrane_info(self: pyrosetta.rosetta.core.conformation.Conformation, mem_info: core::conformation::membrane::MembraneInfo) None ¶
Setup a Membrane Info object in Conformation - pos & topology
Add a MembraneInfo object - describes the position of the membrane virtual residue, information on membrane spanning regions, lipid exposure/burial of residues in the pose, and fullatom steepness and thickness parameters. At construction, specify membrane position and list of spanning topology objects by chain.
C++: core::conformation::Conformation::set_membrane_info(class std::shared_ptr<class core::conformation::membrane::MembraneInfo>) –> void
- set_noncanonical_connection(self: pyrosetta.rosetta.core.conformation.Conformation, res_id_lower: int, lr_conn_id: int, res_id_upper: int, ur_conn_id: int) None ¶
Create an arbitrary covalent connection between two residues.
C++: core::conformation::Conformation::set_noncanonical_connection(unsigned long, unsigned long, unsigned long, unsigned long) –> void
- set_polymeric_connection(self: pyrosetta.rosetta.protocols.environment.ProtectedConformation, : int, : int) None ¶
C++: protocols::environment::ProtectedConformation::set_polymeric_connection(unsigned long, unsigned long) –> void
- set_secstruct(self: pyrosetta.rosetta.protocols.environment.ProtectedConformation, seqpos: int, setting: str) None ¶
C++: protocols::environment::ProtectedConformation::set_secstruct(const unsigned long, const char) –> void
- set_stub_transform(self: pyrosetta.rosetta.protocols.environment.ProtectedConformation, stub_id1: pyrosetta.rosetta.core.id.StubID, stub_id2: pyrosetta.rosetta.core.id.StubID, target_rt: pyrosetta.rosetta.core.kinematics.RT) None ¶
C++: protocols::environment::ProtectedConformation::set_stub_transform(const class core::id::StubID &, const class core::id::StubID &, const class core::kinematics::RT &) –> void
- set_torsion(self: pyrosetta.rosetta.protocols.environment.ProtectedConformation, id: pyrosetta.rosetta.core.id.TorsionID, setting: float) None ¶
C++: protocols::environment::ProtectedConformation::set_torsion(const class core::id::TorsionID &, const double) –> void
- set_torsion_angle(*args, **kwargs)¶
Overloaded function.
set_torsion_angle(self: pyrosetta.rosetta.protocols.environment.ProtectedConformation, atom1: pyrosetta.rosetta.core.id.AtomID, atom2: pyrosetta.rosetta.core.id.AtomID, atom3: pyrosetta.rosetta.core.id.AtomID, atom4: pyrosetta.rosetta.core.id.AtomID, setting: float) -> None
set_torsion_angle(self: pyrosetta.rosetta.protocols.environment.ProtectedConformation, atom1: pyrosetta.rosetta.core.id.AtomID, atom2: pyrosetta.rosetta.core.id.AtomID, atom3: pyrosetta.rosetta.core.id.AtomID, atom4: pyrosetta.rosetta.core.id.AtomID, setting: float, quiet: bool) -> None
C++: protocols::environment::ProtectedConformation::set_torsion_angle(const class core::id::AtomID &, const class core::id::AtomID &, const class core::id::AtomID &, const class core::id::AtomID &, const double, const bool) –> void
- set_xyz(self: pyrosetta.rosetta.protocols.environment.ProtectedConformation, id: pyrosetta.rosetta.core.id.AtomID, position: pyrosetta.rosetta.numeric.xyzVector_double_t) None ¶
C++: protocols::environment::ProtectedConformation::set_xyz(const class core::id::AtomID &, const class numeric::xyzVector<double> &) –> void
- setup_glycan_trees(self: pyrosetta.rosetta.core.conformation.Conformation) None ¶
Setup glycan trees and attach length observer.
C++: core::conformation::Conformation::setup_glycan_trees() –> void
- sever_chemical_bond(self: pyrosetta.rosetta.core.conformation.Conformation, seqpos1: int, res1_resconn_index: int, seqpos2: int, res2_resconn_index: int) None ¶
- Sever the chemical bond between two residues by stating that the
connections for those residues are “incomplete” (i.e. in a state where these residues are not ready to be scored).
C++: core::conformation::Conformation::sever_chemical_bond(unsigned long, unsigned long, unsigned long, unsigned long) –> void
- show_residue_connections(*args, **kwargs)¶
Overloaded function.
show_residue_connections(self: pyrosetta.rosetta.core.conformation.Conformation) -> None
Show residue connections for debugging purposes.
C++: core::conformation::Conformation::show_residue_connections() const –> void
show_residue_connections(self: pyrosetta.rosetta.core.conformation.Conformation, os: pyrosetta.rosetta.std.ostream) -> None
Show residue connections for debugging purposes.
C++: core::conformation::Conformation::show_residue_connections(std::ostream &) const –> void
- size(self: pyrosetta.rosetta.core.conformation.Conformation) int ¶
Returns the number of residues in the Conformation
C++: core::conformation::Conformation::size() const –> unsigned long
- structure_moved(self: pyrosetta.rosetta.core.conformation.Conformation) bool ¶
has the structure moved since the last call to reset_move_data or reset_structure_moved
C++: core::conformation::Conformation::structure_moved() const –> bool
- stub_from_id(self: pyrosetta.rosetta.core.conformation.Conformation, id: pyrosetta.rosetta.core.id.StubID) core::kinematics::Stub ¶
C++: core::conformation::Conformation::stub_from_id(const class core::id::StubID &) const –> class core::kinematics::Stub
- torsion(self: pyrosetta.rosetta.core.conformation.Conformation, id: core::id::TorsionID) float ¶
Return the torsion angle OR rigid-body offset for <id>
C++: core::conformation::Conformation::torsion(const class core::id::TorsionID &) const –> double
- torsion_angle(self: pyrosetta.rosetta.core.conformation.Conformation, atom1: pyrosetta.rosetta.core.id.AtomID, atom2: pyrosetta.rosetta.core.id.AtomID, atom3: pyrosetta.rosetta.core.id.AtomID, atom4: pyrosetta.rosetta.core.id.AtomID) float ¶
Returns the torsion angle defined by <atom[1-4]> in Radians
C++: core::conformation::Conformation::torsion_angle(const class core::id::AtomID &, const class core::id::AtomID &, const class core::id::AtomID &, const class core::id::AtomID &) const –> double
- unblock_signals(self: pyrosetta.rosetta.core.conformation.Conformation) None ¶
allow signals to be sent
C++: core::conformation::Conformation::unblock_signals() –> void
- update_actcoord(self: pyrosetta.rosetta.core.conformation.Conformation, resid: int) None ¶
C++: core::conformation::Conformation::update_actcoord(unsigned long) –> void
- update_actcoords(self: pyrosetta.rosetta.core.conformation.Conformation) None ¶
C++: core::conformation::Conformation::update_actcoords() –> void
- update_domain_map(self: pyrosetta.rosetta.core.conformation.Conformation, domain_map: pyrosetta.rosetta.ObjexxFCL.FArray1D_int_t) None ¶
Generate a domain_map from the current dof/xyz moved data
C++: core::conformation::Conformation::update_domain_map(class ObjexxFCL::FArray1D<int> &) const –> void
- update_membrane_position(self: pyrosetta.rosetta.core.conformation.Conformation, center: pyrosetta.rosetta.numeric.xyzVector_double_t, normal: pyrosetta.rosetta.numeric.xyzVector_double_t) None ¶
Update Normal, Center in the Membrane
Sets the center and normal coordinates to the appropriate parameters and checks for a valid stub prior to returning.
C++: core::conformation::Conformation::update_membrane_position(class numeric::xyzVector<double>, class numeric::xyzVector<double>) –> void
- update_noncanonical_connection(self: pyrosetta.rosetta.core.conformation.Conformation, lower_seqpos: int, lr_conn_id: int, upper_seqpos: int, ur_conn_id: int) None ¶
- Update the connection status between the lower_seqpos residue’s lr_conn_id connection ID and
the upper_seqpos residue’s ur_conn_id connection ID.
C++: core::conformation::Conformation::update_noncanonical_connection(unsigned long, unsigned long, unsigned long, unsigned long) –> void
- update_orbital_coords(*args, **kwargs)¶
Overloaded function.
update_orbital_coords(self: pyrosetta.rosetta.core.conformation.Conformation, rsd: pyrosetta.rosetta.core.conformation.Residue) -> None
C++: core::conformation::Conformation::update_orbital_coords(class core::conformation::Residue &) const –> void
update_orbital_coords(self: pyrosetta.rosetta.core.conformation.Conformation, resid: int) -> None
C++: core::conformation::Conformation::update_orbital_coords(unsigned long) –> void
- update_polymeric_connection(*args, **kwargs)¶
Overloaded function.
update_polymeric_connection(self: pyrosetta.rosetta.core.conformation.Conformation, lower_seqpos: int) -> None
update_polymeric_connection(self: pyrosetta.rosetta.core.conformation.Conformation, lower_seqpos: int, update_connection_dep_atoms: bool) -> None
- Update the polymer connection status between lower_seqpos and lower_seqpos+1
based on chainID’s and termini. If update_connection_dep_atoms is true, positions of atoms dependent on the polymer connection are updated.
C++: core::conformation::Conformation::update_polymeric_connection(unsigned long, bool) –> void
- upstream_jump_stub(self: pyrosetta.rosetta.core.conformation.Conformation, jump_number: int) core::kinematics::Stub ¶
The upstream and downstream Stubs are the coordinate frames between which this jump is transforming
C++: core::conformation::Conformation::upstream_jump_stub(int) const –> class core::kinematics::Stub
- xyz(self: pyrosetta.rosetta.core.conformation.Conformation, id: pyrosetta.rosetta.core.id.AtomID) pyrosetta.rosetta.numeric.xyzVector_double_t ¶
access xyz coordinates of an atom
C++: core::conformation::Conformation::xyz(const class core::id::AtomID &) const –> const class numeric::xyzVector<double> &
- class pyrosetta.rosetta.protocols.environment.ScriptCM¶
Bases:
ClientMover
- apply(self: pyrosetta.rosetta.protocols.environment.ScriptCM, : pyrosetta.rosetta.core.pose.Pose) None ¶
C++: protocols::environment::ScriptCM::apply(class core::pose::Pose &) –> void
- assign(self: pyrosetta.rosetta.protocols.environment.ScriptCM, : pyrosetta.rosetta.protocols.environment.ScriptCM) pyrosetta.rosetta.protocols.environment.ScriptCM ¶
C++: protocols::environment::ScriptCM::operator=(const class protocols::environment::ScriptCM &) –> class protocols::environment::ScriptCM &
- 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.environment.ScriptCM) pyrosetta.rosetta.protocols.moves.Mover ¶
C++: protocols::environment::ScriptCM::clone() const –> class std::shared_ptr<class protocols::moves::Mover>
- create(self: pyrosetta.rosetta.protocols.moves.Mover) pyrosetta.rosetta.protocols.moves.Mover ¶
C++: protocols::moves::Mover::create() –> class std::shared_ptr<class protocols::moves::Mover>
- fresh_instance(self: pyrosetta.rosetta.protocols.environment.ScriptCM) pyrosetta.rosetta.protocols.moves.Mover ¶
C++: protocols::environment::ScriptCM::fresh_instance() const –> class std::shared_ptr<class protocols::moves::Mover>
- get_additional_output(self: pyrosetta.rosetta.protocols.moves.Mover) pyrosetta.rosetta.core.pose.Pose ¶
fpd
Mechanism by which a mover may return multiple output poses from a single input pose.
Supported in JD2. Will attempt to grab additional poses until a nullptr is returned.
C++: protocols::moves::Mover::get_additional_output() –> class std::shared_ptr<class core::pose::Pose>
- get_current_job(self: pyrosetta.rosetta.protocols.moves.Mover) protocols::jobdist::BasicJob ¶
C++: protocols::moves::Mover::get_current_job() const –> class std::shared_ptr<const class protocols::jobdist::BasicJob>
- get_current_tag(self: pyrosetta.rosetta.protocols.moves.Mover) str ¶
- A tag is a unique identifier used to identify structures produced
by this Mover. get_current_tag() returns the tag, and set_current_tag( std::string tag ) sets the tag. This functionality is not intended for use with the 2008 job distributor.
C++: protocols::moves::Mover::get_current_tag() const –> std::string
- get_input_pose(self: pyrosetta.rosetta.protocols.moves.Mover) pyrosetta.rosetta.core.pose.Pose ¶
C++: protocols::moves::Mover::get_input_pose() const –> class std::shared_ptr<const class core::pose::Pose>
- get_last_move_status(self: pyrosetta.rosetta.protocols.moves.Mover) pyrosetta.rosetta.protocols.moves.MoverStatus ¶
returns status after an apply(). The job distributor (august 08 vintage) will check this function to see if your protocol wants to filter its results - if your protocol wants to say “that run was no good, skip it” then use the protected last_move_status(MoverStatus) to change the value that this function will return.
C++: protocols::moves::Mover::get_last_move_status() const –> enum protocols::moves::MoverStatus
- get_name(self: pyrosetta.rosetta.protocols.environment.ScriptCM) str ¶
C++: protocols::environment::ScriptCM::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 > > &
- initialize(self: pyrosetta.rosetta.protocols.environment.ScriptCM, pose: pyrosetta.rosetta.core.pose.Pose) None ¶
C++: protocols::environment::ScriptCM::initialize(class core::pose::Pose &) –> void
- 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::environment::ScriptCM::mover_name() –> std::string
- name(*args, **kwargs)¶
Overloaded function.
name(self: pyrosetta.rosetta.protocols.environment.ScriptCM) -> str
C++: protocols::environment::ScriptCM::name() const –> const std::string &
name(self: pyrosetta.rosetta.protocols.environment.ScriptCM, name: str) -> None
C++: protocols::environment::ScriptCM::name(const std::string &) –> void
- parse_my_tag(self: pyrosetta.rosetta.protocols.environment.ScriptCM, tag: pyrosetta.rosetta.utility.tag.Tag, data: pyrosetta.rosetta.basic.datacache.DataMap) None ¶
C++: protocols::environment::ScriptCM::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: utility::tag::XMLSchemaDefinition) None ¶
C++: protocols::environment::ScriptCM::provide_xml_schema(class utility::tag::XMLSchemaDefinition &) –> 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
- 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
- static scriptcm_group_name() str ¶
C++: protocols::environment::ScriptCM::scriptcm_group_name() –> std::string
- static scriptcm_subelement_ct_namer(: str) str ¶
C++: protocols::environment::ScriptCM::scriptcm_subelement_ct_namer(std::string) –> std::string
- 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.
show(self: pyrosetta.rosetta.protocols.moves.Mover) -> None
show(self: pyrosetta.rosetta.protocols.moves.Mover, output: pyrosetta.rosetta.std.ostream) -> None
Outputs details about the Mover, including current settings.
C++: protocols::moves::Mover::show(std::ostream &) const –> void
- test_move(self: pyrosetta.rosetta.protocols.moves.Mover, pose: pyrosetta.rosetta.core.pose.Pose) None ¶
- : Unit test support function. Apply one move to a given pose.
Allows extra test specific functions to be called before applying
C++: protocols::moves::Mover::test_move(class core::pose::Pose &) –> void
- type(*args, **kwargs)¶
Overloaded function.
type(self: pyrosetta.rosetta.protocols.moves.Mover, type_in: str) -> None
Set the ‘type’ string
C++: protocols::moves::Mover::type(const std::string &) –> void
type(self: pyrosetta.rosetta.protocols.moves.Mover) -> str
Get the set ‘type’ string
C++: protocols::moves::Mover::type() const –> const std::string &
- yield_claims(self: pyrosetta.rosetta.protocols.environment.ScriptCM, : pyrosetta.rosetta.core.pose.Pose, : pyrosetta.rosetta.basic.datacache.WriteableCacheableMap) pyrosetta.rosetta.std.list_std_shared_ptr_protocols_environment_claims_EnvClaim_t ¶
C++: protocols::environment::ScriptCM::yield_claims(const class core::pose::Pose &, class std::shared_ptr<class basic::datacache::WriteableCacheableMap>) –> class std::list<class std::shared_ptr<class protocols::environment::claims::EnvClaim>, class std::allocator<class std::shared_ptr<class protocols::environment::claims::EnvClaim> > >
- yield_submovers(self: pyrosetta.rosetta.protocols.environment.ClientMover, : pyrosetta.rosetta.std.set_std_shared_ptr_protocols_environment_ClientMover_t) None ¶
- this method is used to make sure any movers contained in this
mover (that want to make claims) also get registered with the environment.
C++: protocols::environment::ClientMover::yield_submovers(class std::set<class std::shared_ptr<class protocols::environment::ClientMover>, struct std::less<class std::shared_ptr<class protocols::environment::ClientMover> >, class std::allocator<class std::shared_ptr<class protocols::environment::ClientMover> > > &) const –> void
- class pyrosetta.rosetta.protocols.environment.ScriptCMCreator¶
Bases:
MoverCreator
- assign(self: pyrosetta.rosetta.protocols.environment.ScriptCMCreator, : pyrosetta.rosetta.protocols.environment.ScriptCMCreator) pyrosetta.rosetta.protocols.environment.ScriptCMCreator ¶
C++: protocols::environment::ScriptCMCreator::operator=(const class protocols::environment::ScriptCMCreator &) –> class protocols::environment::ScriptCMCreator &
- create_mover(self: pyrosetta.rosetta.protocols.environment.ScriptCMCreator) pyrosetta.rosetta.protocols.moves.Mover ¶
C++: protocols::environment::ScriptCMCreator::create_mover() const –> class std::shared_ptr<class protocols::moves::Mover>
- keyname(self: pyrosetta.rosetta.protocols.environment.ScriptCMCreator) str ¶
C++: protocols::environment::ScriptCMCreator::keyname() const –> std::string