pose_metric_calculators¶
Bindings for protocols::pose_metric_calculators namespace
- class pyrosetta.rosetta.protocols.pose_metric_calculators.CatPiCalculator¶
Bases:
StructureDependentCalculator
- assign(self: pyrosetta.rosetta.protocols.pose_metric_calculators.CatPiCalculator, : pyrosetta.rosetta.protocols.pose_metric_calculators.CatPiCalculator) pyrosetta.rosetta.protocols.pose_metric_calculators.CatPiCalculator ¶
C++: protocols::pose_metric_calculators::CatPiCalculator::operator=(const class protocols::pose_metric_calculators::CatPiCalculator &) –> class protocols::pose_metric_calculators::CatPiCalculator &
- clone(self: pyrosetta.rosetta.protocols.pose_metric_calculators.CatPiCalculator) pyrosetta.rosetta.core.pose.metrics.PoseMetricCalculator ¶
C++: protocols::pose_metric_calculators::CatPiCalculator::clone() const –> class std::shared_ptr<class core::pose::metrics::PoseMetricCalculator>
- get(*args, **kwargs)¶
Overloaded function.
get(self: pyrosetta.rosetta.core.pose.metrics.StructureDependentCalculator, key: str, val: pyrosetta.rosetta.basic.MetricValueBase, this_pose: pyrosetta.rosetta.core.pose.Pose) -> None
C++: core::pose::metrics::StructureDependentCalculator::get(const std::string &, class basic::MetricValueBase &, const class core::pose::Pose &) –> void
get(self: pyrosetta.rosetta.core.pose.metrics.StructureDependentCalculator, key: str, this_pose: pyrosetta.rosetta.core.pose.Pose) -> str
C++: core::pose::metrics::StructureDependentCalculator::get(const std::string &, const class core::pose::Pose &) –> std::string
- notify_energy_change(self: pyrosetta.rosetta.core.pose.metrics.PoseMetricCalculator) None ¶
C++: core::pose::metrics::PoseMetricCalculator::notify_energy_change() –> void
- notify_structure_change(self: pyrosetta.rosetta.core.pose.metrics.StructureDependentCalculator) None ¶
C++: core::pose::metrics::StructureDependentCalculator::notify_structure_change() –> void
- class pyrosetta.rosetta.protocols.pose_metric_calculators.ChargeCalculator¶
Bases:
StructureDependentCalculator
- assign(self: pyrosetta.rosetta.protocols.pose_metric_calculators.ChargeCalculator, : pyrosetta.rosetta.protocols.pose_metric_calculators.ChargeCalculator) pyrosetta.rosetta.protocols.pose_metric_calculators.ChargeCalculator ¶
C++: protocols::pose_metric_calculators::ChargeCalculator::operator=(const class protocols::pose_metric_calculators::ChargeCalculator &) –> class protocols::pose_metric_calculators::ChargeCalculator &
- clone(self: pyrosetta.rosetta.protocols.pose_metric_calculators.ChargeCalculator) pyrosetta.rosetta.core.pose.metrics.PoseMetricCalculator ¶
C++: protocols::pose_metric_calculators::ChargeCalculator::clone() const –> class std::shared_ptr<class core::pose::metrics::PoseMetricCalculator>
- get(*args, **kwargs)¶
Overloaded function.
get(self: pyrosetta.rosetta.core.pose.metrics.StructureDependentCalculator, key: str, val: pyrosetta.rosetta.basic.MetricValueBase, this_pose: pyrosetta.rosetta.core.pose.Pose) -> None
C++: core::pose::metrics::StructureDependentCalculator::get(const std::string &, class basic::MetricValueBase &, const class core::pose::Pose &) –> void
get(self: pyrosetta.rosetta.core.pose.metrics.StructureDependentCalculator, key: str, this_pose: pyrosetta.rosetta.core.pose.Pose) -> str
C++: core::pose::metrics::StructureDependentCalculator::get(const std::string &, const class core::pose::Pose &) –> std::string
- notify_energy_change(self: pyrosetta.rosetta.core.pose.metrics.PoseMetricCalculator) None ¶
C++: core::pose::metrics::PoseMetricCalculator::notify_energy_change() –> void
- notify_structure_change(self: pyrosetta.rosetta.core.pose.metrics.StructureDependentCalculator) None ¶
C++: core::pose::metrics::StructureDependentCalculator::notify_structure_change() –> void
- class pyrosetta.rosetta.protocols.pose_metric_calculators.ClashCountCalculator¶
Bases:
StructureDependentCalculator
- assign(self: pyrosetta.rosetta.core.pose.metrics.StructureDependentCalculator, : pyrosetta.rosetta.core.pose.metrics.StructureDependentCalculator) pyrosetta.rosetta.core.pose.metrics.StructureDependentCalculator ¶
C++: core::pose::metrics::StructureDependentCalculator::operator=(const class core::pose::metrics::StructureDependentCalculator &) –> class core::pose::metrics::StructureDependentCalculator &
- clone(self: pyrosetta.rosetta.protocols.pose_metric_calculators.ClashCountCalculator) pyrosetta.rosetta.core.pose.metrics.PoseMetricCalculator ¶
C++: protocols::pose_metric_calculators::ClashCountCalculator::clone() const –> class std::shared_ptr<class core::pose::metrics::PoseMetricCalculator>
- get(*args, **kwargs)¶
Overloaded function.
get(self: pyrosetta.rosetta.core.pose.metrics.StructureDependentCalculator, key: str, val: pyrosetta.rosetta.basic.MetricValueBase, this_pose: pyrosetta.rosetta.core.pose.Pose) -> None
C++: core::pose::metrics::StructureDependentCalculator::get(const std::string &, class basic::MetricValueBase &, const class core::pose::Pose &) –> void
get(self: pyrosetta.rosetta.core.pose.metrics.StructureDependentCalculator, key: str, this_pose: pyrosetta.rosetta.core.pose.Pose) -> str
C++: core::pose::metrics::StructureDependentCalculator::get(const std::string &, const class core::pose::Pose &) –> std::string
- notify_energy_change(self: pyrosetta.rosetta.core.pose.metrics.PoseMetricCalculator) None ¶
C++: core::pose::metrics::PoseMetricCalculator::notify_energy_change() –> void
- notify_structure_change(self: pyrosetta.rosetta.core.pose.metrics.StructureDependentCalculator) None ¶
C++: core::pose::metrics::StructureDependentCalculator::notify_structure_change() –> void
- class pyrosetta.rosetta.protocols.pose_metric_calculators.DecomposeAndReweightEnergiesCalculator¶
Bases:
EnergyDependentCalculator
- assign(self: pyrosetta.rosetta.protocols.pose_metric_calculators.DecomposeAndReweightEnergiesCalculator, : pyrosetta.rosetta.protocols.pose_metric_calculators.DecomposeAndReweightEnergiesCalculator) pyrosetta.rosetta.protocols.pose_metric_calculators.DecomposeAndReweightEnergiesCalculator ¶
C++: protocols::pose_metric_calculators::DecomposeAndReweightEnergiesCalculator::operator=(const class protocols::pose_metric_calculators::DecomposeAndReweightEnergiesCalculator &) –> class protocols::pose_metric_calculators::DecomposeAndReweightEnergiesCalculator &
- clone(self: pyrosetta.rosetta.protocols.pose_metric_calculators.DecomposeAndReweightEnergiesCalculator) pyrosetta.rosetta.core.pose.metrics.PoseMetricCalculator ¶
C++: protocols::pose_metric_calculators::DecomposeAndReweightEnergiesCalculator::clone() const –> class std::shared_ptr<class core::pose::metrics::PoseMetricCalculator>
- component(self: pyrosetta.rosetta.protocols.pose_metric_calculators.DecomposeAndReweightEnergiesCalculator, index: int) pyrosetta.rosetta.protocols.pose_metric_calculators.EnergiesData ¶
C++: protocols::pose_metric_calculators::DecomposeAndReweightEnergiesCalculator::component(unsigned long) const –> const class protocols::pose_metric_calculators::EnergiesData &
- get(*args, **kwargs)¶
Overloaded function.
get(self: pyrosetta.rosetta.core.pose.metrics.EnergyDependentCalculator, key: str, val: pyrosetta.rosetta.basic.MetricValueBase, this_pose: pyrosetta.rosetta.core.pose.Pose) -> None
C++: core::pose::metrics::EnergyDependentCalculator::get(const std::string &, class basic::MetricValueBase &, const class core::pose::Pose &) –> void
get(self: pyrosetta.rosetta.core.pose.metrics.EnergyDependentCalculator, key: str, this_pose: pyrosetta.rosetta.core.pose.Pose) -> str
C++: core::pose::metrics::EnergyDependentCalculator::get(const std::string &, const class core::pose::Pose &) –> std::string
- master_weight_vector(*args, **kwargs)¶
Overloaded function.
master_weight_vector(self: pyrosetta.rosetta.protocols.pose_metric_calculators.DecomposeAndReweightEnergiesCalculator) -> pyrosetta.rosetta.utility.vector1_double
C++: protocols::pose_metric_calculators::DecomposeAndReweightEnergiesCalculator::master_weight_vector() const –> class utility::vector1<double, class std::allocator<double> >
master_weight_vector(self: pyrosetta.rosetta.protocols.pose_metric_calculators.DecomposeAndReweightEnergiesCalculator, master_weight_vector: pyrosetta.rosetta.utility.vector1_double) -> None
C++: protocols::pose_metric_calculators::DecomposeAndReweightEnergiesCalculator::master_weight_vector(const class utility::vector1<double, class std::allocator<double> > &) –> void
- names_vector(self: pyrosetta.rosetta.protocols.pose_metric_calculators.DecomposeAndReweightEnergiesCalculator) pyrosetta.rosetta.utility.vector1_std_string ¶
C++: protocols::pose_metric_calculators::DecomposeAndReweightEnergiesCalculator::names_vector() const –> class utility::vector1<std::string, class std::allocator<std::string > >
- nonzero_weight_score_types(self: pyrosetta.rosetta.protocols.pose_metric_calculators.DecomposeAndReweightEnergiesCalculator) pyrosetta.rosetta.utility.vector1_core_scoring_ScoreType ¶
C++: protocols::pose_metric_calculators::DecomposeAndReweightEnergiesCalculator::nonzero_weight_score_types() const –> class utility::vector1<enum core::scoring::ScoreType, class std::allocator<enum core::scoring::ScoreType> >
- notify_energy_change(self: pyrosetta.rosetta.core.pose.metrics.EnergyDependentCalculator) None ¶
C++: core::pose::metrics::EnergyDependentCalculator::notify_energy_change() –> void
- notify_structure_change(self: pyrosetta.rosetta.core.pose.metrics.PoseMetricCalculator) None ¶
C++: core::pose::metrics::PoseMetricCalculator::notify_structure_change() –> void
- num_components(self: pyrosetta.rosetta.protocols.pose_metric_calculators.DecomposeAndReweightEnergiesCalculator) int ¶
C++: protocols::pose_metric_calculators::DecomposeAndReweightEnergiesCalculator::num_components() const –> unsigned long
- num_sets(*args, **kwargs)¶
Overloaded function.
num_sets(self: pyrosetta.rosetta.protocols.pose_metric_calculators.DecomposeAndReweightEnergiesCalculator) -> int
C++: protocols::pose_metric_calculators::DecomposeAndReweightEnergiesCalculator::num_sets() const –> unsigned long
num_sets(self: pyrosetta.rosetta.protocols.pose_metric_calculators.DecomposeAndReweightEnergiesCalculator, num_sets: int) -> None
C++: protocols::pose_metric_calculators::DecomposeAndReweightEnergiesCalculator::num_sets(unsigned long) –> void
- onebody_energies(self: pyrosetta.rosetta.protocols.pose_metric_calculators.DecomposeAndReweightEnergiesCalculator) pyrosetta.rosetta.utility.vector1_protocols_pose_metric_calculators_EnergiesData ¶
C++: protocols::pose_metric_calculators::DecomposeAndReweightEnergiesCalculator::onebody_energies() const –> const class utility::vector1<class protocols::pose_metric_calculators::EnergiesData, class std::allocator<class protocols::pose_metric_calculators::EnergiesData> > &
- original_weights(self: pyrosetta.rosetta.protocols.pose_metric_calculators.DecomposeAndReweightEnergiesCalculator) pyrosetta.rosetta.core.scoring.EMapVector ¶
C++: protocols::pose_metric_calculators::DecomposeAndReweightEnergiesCalculator::original_weights() const –> const class core::scoring::EMapVector &
- other_energies(self: pyrosetta.rosetta.protocols.pose_metric_calculators.DecomposeAndReweightEnergiesCalculator) pyrosetta.rosetta.protocols.pose_metric_calculators.EnergiesData ¶
C++: protocols::pose_metric_calculators::DecomposeAndReweightEnergiesCalculator::other_energies() const –> const class protocols::pose_metric_calculators::EnergiesData &
- residue_decomposition_calculator(self: pyrosetta.rosetta.protocols.pose_metric_calculators.DecomposeAndReweightEnergiesCalculator) str ¶
C++: protocols::pose_metric_calculators::DecomposeAndReweightEnergiesCalculator::residue_decomposition_calculator() const –> const std::string &
- set_names(self: pyrosetta.rosetta.protocols.pose_metric_calculators.DecomposeAndReweightEnergiesCalculator) pyrosetta.rosetta.utility.vector1_std_string ¶
C++: protocols::pose_metric_calculators::DecomposeAndReweightEnergiesCalculator::set_names() const –> const class utility::vector1<std::string, class std::allocator<std::string > > &
- show(self: pyrosetta.rosetta.protocols.pose_metric_calculators.DecomposeAndReweightEnergiesCalculator, out: pyrosetta.rosetta.std.ostream) None ¶
C++: protocols::pose_metric_calculators::DecomposeAndReweightEnergiesCalculator::show(std::ostream &) const –> void
- twobody_energies(self: pyrosetta.rosetta.protocols.pose_metric_calculators.DecomposeAndReweightEnergiesCalculator) pyrosetta.rosetta.utility.graph.UpperEdgeGraph_protocols_pose_metric_calculators_EmptyVertexData_protocols_pose_metric_calculators_EnergiesData_t ¶
C++: protocols::pose_metric_calculators::DecomposeAndReweightEnergiesCalculator::twobody_energies() const –> const class utility::graph::UpperEdgeGraph<class protocols::pose_metric_calculators::EmptyVertexData, class protocols::pose_metric_calculators::EnergiesData> &
- weighted_energy_map_vector(self: pyrosetta.rosetta.protocols.pose_metric_calculators.DecomposeAndReweightEnergiesCalculator) pyrosetta.rosetta.utility.vector1_core_scoring_EMapVector ¶
C++: protocols::pose_metric_calculators::DecomposeAndReweightEnergiesCalculator::weighted_energy_map_vector() const –> class utility::vector1<class core::scoring::EMapVector, class std::allocator<class core::scoring::EMapVector> >
- weighted_total(self: pyrosetta.rosetta.protocols.pose_metric_calculators.DecomposeAndReweightEnergiesCalculator) float ¶
C++: protocols::pose_metric_calculators::DecomposeAndReweightEnergiesCalculator::weighted_total() const –> double
- weighted_total_no_master_vector(self: pyrosetta.rosetta.protocols.pose_metric_calculators.DecomposeAndReweightEnergiesCalculator) pyrosetta.rosetta.utility.vector1_double ¶
C++: protocols::pose_metric_calculators::DecomposeAndReweightEnergiesCalculator::weighted_total_no_master_vector() const –> class utility::vector1<double, class std::allocator<double> >
- weighted_total_vector(self: pyrosetta.rosetta.protocols.pose_metric_calculators.DecomposeAndReweightEnergiesCalculator) pyrosetta.rosetta.utility.vector1_double ¶
C++: protocols::pose_metric_calculators::DecomposeAndReweightEnergiesCalculator::weighted_total_vector() const –> class utility::vector1<double, class std::allocator<double> >
- class pyrosetta.rosetta.protocols.pose_metric_calculators.EmptyVertexData¶
Bases:
pybind11_object
- assign(self: pyrosetta.rosetta.protocols.pose_metric_calculators.EmptyVertexData, : pyrosetta.rosetta.protocols.pose_metric_calculators.EmptyVertexData) pyrosetta.rosetta.protocols.pose_metric_calculators.EmptyVertexData ¶
C++: protocols::pose_metric_calculators::EmptyVertexData::operator=(const class protocols::pose_metric_calculators::EmptyVertexData &) –> class protocols::pose_metric_calculators::EmptyVertexData &
- class pyrosetta.rosetta.protocols.pose_metric_calculators.EnergiesData¶
Bases:
pybind11_object
- assign(self: pyrosetta.rosetta.protocols.pose_metric_calculators.EnergiesData, : pyrosetta.rosetta.protocols.pose_metric_calculators.EnergiesData) pyrosetta.rosetta.protocols.pose_metric_calculators.EnergiesData ¶
C++: protocols::pose_metric_calculators::EnergiesData::operator=(const class protocols::pose_metric_calculators::EnergiesData &) –> class protocols::pose_metric_calculators::EnergiesData &
- energy_map(*args, **kwargs)¶
Overloaded function.
energy_map(self: pyrosetta.rosetta.protocols.pose_metric_calculators.EnergiesData) -> pyrosetta.rosetta.core.scoring.EMapVector
C++: protocols::pose_metric_calculators::EnergiesData::energy_map() –> class core::scoring::EMapVector &
energy_map(self: pyrosetta.rosetta.protocols.pose_metric_calculators.EnergiesData, energy_map: pyrosetta.rosetta.core.scoring.EMapVector) -> None
C++: protocols::pose_metric_calculators::EnergiesData::energy_map(const class core::scoring::EMapVector &) –> void
- master_weight(*args, **kwargs)¶
Overloaded function.
master_weight(self: pyrosetta.rosetta.protocols.pose_metric_calculators.EnergiesData) -> float
C++: protocols::pose_metric_calculators::EnergiesData::master_weight() const –> double
master_weight(self: pyrosetta.rosetta.protocols.pose_metric_calculators.EnergiesData, master_weight: float) -> None
C++: protocols::pose_metric_calculators::EnergiesData::master_weight(double) –> void
- use_original_weights(*args, **kwargs)¶
Overloaded function.
use_original_weights(self: pyrosetta.rosetta.protocols.pose_metric_calculators.EnergiesData) -> bool
C++: protocols::pose_metric_calculators::EnergiesData::use_original_weights() const –> bool
use_original_weights(self: pyrosetta.rosetta.protocols.pose_metric_calculators.EnergiesData, use_original_weights: bool) -> None
C++: protocols::pose_metric_calculators::EnergiesData::use_original_weights(bool) –> void
- weight_map(*args, **kwargs)¶
Overloaded function.
weight_map(self: pyrosetta.rosetta.protocols.pose_metric_calculators.EnergiesData) -> pyrosetta.rosetta.core.scoring.EMapVector
C++: protocols::pose_metric_calculators::EnergiesData::weight_map() –> class core::scoring::EMapVector &
weight_map(self: pyrosetta.rosetta.protocols.pose_metric_calculators.EnergiesData, weight_map: pyrosetta.rosetta.core.scoring.EMapVector) -> None
C++: protocols::pose_metric_calculators::EnergiesData::weight_map(const class core::scoring::EMapVector &) –> void
- weighted_energy_map(self: pyrosetta.rosetta.protocols.pose_metric_calculators.EnergiesData) pyrosetta.rosetta.core.scoring.EMapVector ¶
C++: protocols::pose_metric_calculators::EnergiesData::weighted_energy_map() const –> class core::scoring::EMapVector
- weighted_total(self: pyrosetta.rosetta.protocols.pose_metric_calculators.EnergiesData) float ¶
C++: protocols::pose_metric_calculators::EnergiesData::weighted_total() const –> double
- weighted_total_no_master(self: pyrosetta.rosetta.protocols.pose_metric_calculators.EnergiesData) float ¶
C++: protocols::pose_metric_calculators::EnergiesData::weighted_total_no_master() const –> double
- class pyrosetta.rosetta.protocols.pose_metric_calculators.FragQualCalculator¶
Bases:
StructureDependentCalculator
- assign(self: pyrosetta.rosetta.protocols.pose_metric_calculators.FragQualCalculator, : pyrosetta.rosetta.protocols.pose_metric_calculators.FragQualCalculator) pyrosetta.rosetta.protocols.pose_metric_calculators.FragQualCalculator ¶
C++: protocols::pose_metric_calculators::FragQualCalculator::operator=(const class protocols::pose_metric_calculators::FragQualCalculator &) –> class protocols::pose_metric_calculators::FragQualCalculator &
- begin(self: pyrosetta.rosetta.protocols.pose_metric_calculators.FragQualCalculator, begin: int) None ¶
C++: protocols::pose_metric_calculators::FragQualCalculator::begin(const unsigned long) –> void
- clone(self: pyrosetta.rosetta.protocols.pose_metric_calculators.FragQualCalculator) pyrosetta.rosetta.core.pose.metrics.PoseMetricCalculator ¶
make clone
C++: protocols::pose_metric_calculators::FragQualCalculator::clone() const –> class std::shared_ptr<class core::pose::metrics::PoseMetricCalculator>
- end(self: pyrosetta.rosetta.protocols.pose_metric_calculators.FragQualCalculator, end: int) None ¶
C++: protocols::pose_metric_calculators::FragQualCalculator::end(const unsigned long) –> void
- get(*args, **kwargs)¶
Overloaded function.
get(self: pyrosetta.rosetta.core.pose.metrics.StructureDependentCalculator, key: str, val: pyrosetta.rosetta.basic.MetricValueBase, this_pose: pyrosetta.rosetta.core.pose.Pose) -> None
C++: core::pose::metrics::StructureDependentCalculator::get(const std::string &, class basic::MetricValueBase &, const class core::pose::Pose &) –> void
get(self: pyrosetta.rosetta.core.pose.metrics.StructureDependentCalculator, key: str, this_pose: pyrosetta.rosetta.core.pose.Pose) -> str
C++: core::pose::metrics::StructureDependentCalculator::get(const std::string &, const class core::pose::Pose &) –> std::string
- notify_energy_change(self: pyrosetta.rosetta.core.pose.metrics.PoseMetricCalculator) None ¶
C++: core::pose::metrics::PoseMetricCalculator::notify_energy_change() –> void
- notify_structure_change(self: pyrosetta.rosetta.core.pose.metrics.StructureDependentCalculator) None ¶
C++: core::pose::metrics::StructureDependentCalculator::notify_structure_change() –> void
- parse_my_tag(self: pyrosetta.rosetta.protocols.pose_metric_calculators.FragQualCalculator, tag: pyrosetta.rosetta.utility.tag.Tag, data: pyrosetta.rosetta.basic.datacache.DataMap) None ¶
C++: protocols::pose_metric_calculators::FragQualCalculator::parse_my_tag(class std::shared_ptr<const class utility::tag::Tag>, class basic::datacache::DataMap &) –> void
- ratio_cutoff(self: pyrosetta.rosetta.protocols.pose_metric_calculators.FragQualCalculator, val: float) None ¶
C++: protocols::pose_metric_calculators::FragQualCalculator::ratio_cutoff(const double &) –> void
- rmsd_cutoff(self: pyrosetta.rosetta.protocols.pose_metric_calculators.FragQualCalculator, val: float) None ¶
rmsd cutoff of good fragments
C++: protocols::pose_metric_calculators::FragQualCalculator::rmsd_cutoff(const double &) –> void
- set_fragset(self: pyrosetta.rosetta.protocols.pose_metric_calculators.FragQualCalculator, frags: pyrosetta.rosetta.core.fragment.FragSet) None ¶
set fragments
C++: protocols::pose_metric_calculators::FragQualCalculator::set_fragset(const class std::shared_ptr<class core::fragment::FragSet> &) –> void
- set_region(self: pyrosetta.rosetta.protocols.pose_metric_calculators.FragQualCalculator, val1: int, val2: int) None ¶
C++: protocols::pose_metric_calculators::FragQualCalculator::set_region(const unsigned long, const unsigned long) –> void
- class pyrosetta.rosetta.protocols.pose_metric_calculators.HPatchCalculator¶
Bases:
StructureDependentCalculator
- assign(self: pyrosetta.rosetta.protocols.pose_metric_calculators.HPatchCalculator, : pyrosetta.rosetta.protocols.pose_metric_calculators.HPatchCalculator) pyrosetta.rosetta.protocols.pose_metric_calculators.HPatchCalculator ¶
C++: protocols::pose_metric_calculators::HPatchCalculator::operator=(const class protocols::pose_metric_calculators::HPatchCalculator &) –> class protocols::pose_metric_calculators::HPatchCalculator &
- clone(self: pyrosetta.rosetta.protocols.pose_metric_calculators.HPatchCalculator) pyrosetta.rosetta.core.pose.metrics.PoseMetricCalculator ¶
C++: protocols::pose_metric_calculators::HPatchCalculator::clone() const –> class std::shared_ptr<class core::pose::metrics::PoseMetricCalculator>
- get(*args, **kwargs)¶
Overloaded function.
get(self: pyrosetta.rosetta.core.pose.metrics.StructureDependentCalculator, key: str, val: pyrosetta.rosetta.basic.MetricValueBase, this_pose: pyrosetta.rosetta.core.pose.Pose) -> None
C++: core::pose::metrics::StructureDependentCalculator::get(const std::string &, class basic::MetricValueBase &, const class core::pose::Pose &) –> void
get(self: pyrosetta.rosetta.core.pose.metrics.StructureDependentCalculator, key: str, this_pose: pyrosetta.rosetta.core.pose.Pose) -> str
C++: core::pose::metrics::StructureDependentCalculator::get(const std::string &, const class core::pose::Pose &) –> std::string
- notify_energy_change(self: pyrosetta.rosetta.core.pose.metrics.PoseMetricCalculator) None ¶
C++: core::pose::metrics::PoseMetricCalculator::notify_energy_change() –> void
- notify_structure_change(self: pyrosetta.rosetta.core.pose.metrics.StructureDependentCalculator) None ¶
C++: core::pose::metrics::StructureDependentCalculator::notify_structure_change() –> void
- class pyrosetta.rosetta.protocols.pose_metric_calculators.InterGroupNeighborsCalculator¶
Bases:
StructureDependentCalculator
This is complicated, so pay attention. You define groups of residues within a protein (say, the N and C terminal domains). You then define which pairs of groups you are interested in. This calculator returns the union of the sets of residues at the interfaces between these domains/groups. Functionally it is intended for “interface design” at the non-chainbreak interface between domains of multidomain proteins. It contains a superset of the functionality of some of the other calculators (so I’ll be obsoleting them, maybe?). The pose does NOT have to have been scored.
“groups” string returns the input groups; of type utility::vector1< std::pair< std::set< core::Size >, std::set< core::Size > > > (not a calculated value)
“dist_cutoff” returns the input cutoff distance for neighbor finding (not a calculated value)
“neighbors” returns a std::set<core::Size> of the neighbors calculated between the group pairs.
“num_neighbors” returns the size of the neighbors set.
- assign(self: pyrosetta.rosetta.protocols.pose_metric_calculators.InterGroupNeighborsCalculator, : pyrosetta.rosetta.protocols.pose_metric_calculators.InterGroupNeighborsCalculator) pyrosetta.rosetta.protocols.pose_metric_calculators.InterGroupNeighborsCalculator ¶
C++: protocols::pose_metric_calculators::InterGroupNeighborsCalculator::operator=(const class protocols::pose_metric_calculators::InterGroupNeighborsCalculator &) –> class protocols::pose_metric_calculators::InterGroupNeighborsCalculator &
- clone(self: pyrosetta.rosetta.protocols.pose_metric_calculators.InterGroupNeighborsCalculator) pyrosetta.rosetta.core.pose.metrics.PoseMetricCalculator ¶
C++: protocols::pose_metric_calculators::InterGroupNeighborsCalculator::clone() const –> class std::shared_ptr<class core::pose::metrics::PoseMetricCalculator>
- dist_cutoff(self: pyrosetta.rosetta.protocols.pose_metric_calculators.InterGroupNeighborsCalculator) float ¶
return distance cutoff
C++: protocols::pose_metric_calculators::InterGroupNeighborsCalculator::dist_cutoff() const –> double
- get(*args, **kwargs)¶
Overloaded function.
get(self: pyrosetta.rosetta.core.pose.metrics.StructureDependentCalculator, key: str, val: pyrosetta.rosetta.basic.MetricValueBase, this_pose: pyrosetta.rosetta.core.pose.Pose) -> None
C++: core::pose::metrics::StructureDependentCalculator::get(const std::string &, class basic::MetricValueBase &, const class core::pose::Pose &) –> void
get(self: pyrosetta.rosetta.core.pose.metrics.StructureDependentCalculator, key: str, this_pose: pyrosetta.rosetta.core.pose.Pose) -> str
C++: core::pose::metrics::StructureDependentCalculator::get(const std::string &, const class core::pose::Pose &) –> std::string
- groups(self: pyrosetta.rosetta.protocols.pose_metric_calculators.InterGroupNeighborsCalculator) pyrosetta.rosetta.utility.vector1_std_pair_std_set_unsigned_long_std_set_unsigned_long_t ¶
return groups
C++: protocols::pose_metric_calculators::InterGroupNeighborsCalculator::groups() const –> const class utility::vector1<struct std::pair<class std::set<unsigned long, struct std::less<unsigned long>, class std::allocator<unsigned long> >, class std::set<unsigned long, struct std::less<unsigned long>, class std::allocator<unsigned long> > >, class std::allocator<struct std::pair<class std::set<unsigned long, struct std::less<unsigned long>, class std::allocator<unsigned long> >, class std::set<unsigned long, struct std::less<unsigned long>, class std::allocator<unsigned long> > > > > &
- notify_energy_change(self: pyrosetta.rosetta.core.pose.metrics.PoseMetricCalculator) None ¶
C++: core::pose::metrics::PoseMetricCalculator::notify_energy_change() –> void
- notify_structure_change(self: pyrosetta.rosetta.core.pose.metrics.StructureDependentCalculator) None ¶
C++: core::pose::metrics::StructureDependentCalculator::notify_structure_change() –> void
- class pyrosetta.rosetta.protocols.pose_metric_calculators.MetricValueGetter¶
Bases:
pybind11_object
- assign(self: pyrosetta.rosetta.protocols.pose_metric_calculators.MetricValueGetter, getter: pyrosetta.rosetta.protocols.pose_metric_calculators.MetricValueGetter) pyrosetta.rosetta.protocols.pose_metric_calculators.MetricValueGetter ¶
C++: protocols::pose_metric_calculators::MetricValueGetter::operator=(const class protocols::pose_metric_calculators::MetricValueGetter &) –> class protocols::pose_metric_calculators::MetricValueGetter &
- calculator(*args, **kwargs)¶
Overloaded function.
calculator(self: pyrosetta.rosetta.protocols.pose_metric_calculators.MetricValueGetter) -> str
C++: protocols::pose_metric_calculators::MetricValueGetter::calculator() const –> const std::string &
calculator(self: pyrosetta.rosetta.protocols.pose_metric_calculators.MetricValueGetter, calculatr: str) -> None
C++: protocols::pose_metric_calculators::MetricValueGetter::calculator(const std::string &) –> void
- get(self: pyrosetta.rosetta.protocols.pose_metric_calculators.MetricValueGetter, pose: pyrosetta.rosetta.core.pose.Pose) pyrosetta.rosetta.basic.MetricValueBase ¶
C++: protocols::pose_metric_calculators::MetricValueGetter::get(const class core::pose::Pose &) const –> class std::shared_ptr<class basic::MetricValueBase>
- key(*args, **kwargs)¶
Overloaded function.
key(self: pyrosetta.rosetta.protocols.pose_metric_calculators.MetricValueGetter) -> str
C++: protocols::pose_metric_calculators::MetricValueGetter::key() const –> const std::string &
key(self: pyrosetta.rosetta.protocols.pose_metric_calculators.MetricValueGetter, key: str) -> None
C++: protocols::pose_metric_calculators::MetricValueGetter::key(const std::string &) –> void
- metric_value_template(*args, **kwargs)¶
Overloaded function.
metric_value_template(self: pyrosetta.rosetta.protocols.pose_metric_calculators.MetricValueGetter) -> pyrosetta.rosetta.basic.MetricValueBase
C++: protocols::pose_metric_calculators::MetricValueGetter::metric_value_template() const –> class std::shared_ptr<const class basic::MetricValueBase>
metric_value_template(self: pyrosetta.rosetta.protocols.pose_metric_calculators.MetricValueGetter, metric_value_template: pyrosetta.rosetta.basic.MetricValueBase) -> None
C++: protocols::pose_metric_calculators::MetricValueGetter::metric_value_template(class std::shared_ptr<const class basic::MetricValueBase>) –> void
- class pyrosetta.rosetta.protocols.pose_metric_calculators.NeighborhoodByDistanceCalculator¶
Bases:
StructureDependentCalculator
this calculator determines the number and resids of residues within X angstroms of a group of given residues. Its intended purpose is the backend for a TaskOperation that allows one to construct a PackerTask based on neighborhoods around a set of particular residues. It can return its set of central residues, the total count of their neighbors as determined by the sub-calculators (inclusive of the central residues), and the identities of those neighbors.
- assign(self: pyrosetta.rosetta.core.pose.metrics.StructureDependentCalculator, : pyrosetta.rosetta.core.pose.metrics.StructureDependentCalculator) pyrosetta.rosetta.core.pose.metrics.StructureDependentCalculator ¶
C++: core::pose::metrics::StructureDependentCalculator::operator=(const class core::pose::metrics::StructureDependentCalculator &) –> class core::pose::metrics::StructureDependentCalculator &
- central_residues(self: pyrosetta.rosetta.protocols.pose_metric_calculators.NeighborhoodByDistanceCalculator) pyrosetta.rosetta.std.set_unsigned_long_t ¶
return central residues set
C++: protocols::pose_metric_calculators::NeighborhoodByDistanceCalculator::central_residues() const –> const class std::set<unsigned long, struct std::less<unsigned long>, class std::allocator<unsigned long> > &
- clone(self: pyrosetta.rosetta.protocols.pose_metric_calculators.NeighborhoodByDistanceCalculator) pyrosetta.rosetta.core.pose.metrics.PoseMetricCalculator ¶
C++: protocols::pose_metric_calculators::NeighborhoodByDistanceCalculator::clone() const –> class std::shared_ptr<class core::pose::metrics::PoseMetricCalculator>
- dist_cutoff(self: pyrosetta.rosetta.protocols.pose_metric_calculators.NeighborhoodByDistanceCalculator) float ¶
return distance cutoff
C++: protocols::pose_metric_calculators::NeighborhoodByDistanceCalculator::dist_cutoff() const –> double
- get(*args, **kwargs)¶
Overloaded function.
get(self: pyrosetta.rosetta.core.pose.metrics.StructureDependentCalculator, key: str, val: pyrosetta.rosetta.basic.MetricValueBase, this_pose: pyrosetta.rosetta.core.pose.Pose) -> None
C++: core::pose::metrics::StructureDependentCalculator::get(const std::string &, class basic::MetricValueBase &, const class core::pose::Pose &) –> void
get(self: pyrosetta.rosetta.core.pose.metrics.StructureDependentCalculator, key: str, this_pose: pyrosetta.rosetta.core.pose.Pose) -> str
C++: core::pose::metrics::StructureDependentCalculator::get(const std::string &, const class core::pose::Pose &) –> std::string
- notify_energy_change(self: pyrosetta.rosetta.core.pose.metrics.PoseMetricCalculator) None ¶
C++: core::pose::metrics::PoseMetricCalculator::notify_energy_change() –> void
- notify_structure_change(self: pyrosetta.rosetta.core.pose.metrics.StructureDependentCalculator) None ¶
C++: core::pose::metrics::StructureDependentCalculator::notify_structure_change() –> void
- class pyrosetta.rosetta.protocols.pose_metric_calculators.NeighborsByDistanceCalculator¶
Bases:
StructureDependentCalculator
this calculator determines the number and resids of residues within X angstroms of the given residue. Its intended purpose is the backend for a TaskOperation that allows one to construct a PackerTask based on neighborhoods around a set of particular residues. (It combines with a NeighborhoodByDistanceCalculator for that purpose). It can return the identity of its seeded central residue and distance (just get functions) and calculate the neighbors and count of neighbors around that residue within that distance. It uses the PointGraph class to do this; if you have a better/faster implementation please code it up and replace this one. Note that returned data is INCLUSIVE of the central residue - it is part of the count and part of the std::set.
- assign(self: pyrosetta.rosetta.core.pose.metrics.StructureDependentCalculator, : pyrosetta.rosetta.core.pose.metrics.StructureDependentCalculator) pyrosetta.rosetta.core.pose.metrics.StructureDependentCalculator ¶
C++: core::pose::metrics::StructureDependentCalculator::operator=(const class core::pose::metrics::StructureDependentCalculator &) –> class core::pose::metrics::StructureDependentCalculator &
- central_residue(self: pyrosetta.rosetta.protocols.pose_metric_calculators.NeighborsByDistanceCalculator) int ¶
return central residue
C++: protocols::pose_metric_calculators::NeighborsByDistanceCalculator::central_residue() const –> unsigned long
- clone(self: pyrosetta.rosetta.protocols.pose_metric_calculators.NeighborsByDistanceCalculator) pyrosetta.rosetta.core.pose.metrics.PoseMetricCalculator ¶
C++: protocols::pose_metric_calculators::NeighborsByDistanceCalculator::clone() const –> class std::shared_ptr<class core::pose::metrics::PoseMetricCalculator>
- dist_cutoff(self: pyrosetta.rosetta.protocols.pose_metric_calculators.NeighborsByDistanceCalculator) float ¶
return distance cutoff
C++: protocols::pose_metric_calculators::NeighborsByDistanceCalculator::dist_cutoff() const –> double
- get(*args, **kwargs)¶
Overloaded function.
get(self: pyrosetta.rosetta.core.pose.metrics.StructureDependentCalculator, key: str, val: pyrosetta.rosetta.basic.MetricValueBase, this_pose: pyrosetta.rosetta.core.pose.Pose) -> None
C++: core::pose::metrics::StructureDependentCalculator::get(const std::string &, class basic::MetricValueBase &, const class core::pose::Pose &) –> void
get(self: pyrosetta.rosetta.core.pose.metrics.StructureDependentCalculator, key: str, this_pose: pyrosetta.rosetta.core.pose.Pose) -> str
C++: core::pose::metrics::StructureDependentCalculator::get(const std::string &, const class core::pose::Pose &) –> std::string
- notify_energy_change(self: pyrosetta.rosetta.core.pose.metrics.PoseMetricCalculator) None ¶
C++: core::pose::metrics::PoseMetricCalculator::notify_energy_change() –> void
- notify_structure_change(self: pyrosetta.rosetta.core.pose.metrics.StructureDependentCalculator) None ¶
C++: core::pose::metrics::StructureDependentCalculator::notify_structure_change() –> void
- class pyrosetta.rosetta.protocols.pose_metric_calculators.NonlocalContactsCalculator¶
Bases:
EnergyDependentCalculator
- assign(self: pyrosetta.rosetta.protocols.pose_metric_calculators.NonlocalContactsCalculator, : pyrosetta.rosetta.protocols.pose_metric_calculators.NonlocalContactsCalculator) pyrosetta.rosetta.protocols.pose_metric_calculators.NonlocalContactsCalculator ¶
C++: protocols::pose_metric_calculators::NonlocalContactsCalculator::operator=(const class protocols::pose_metric_calculators::NonlocalContactsCalculator &) –> class protocols::pose_metric_calculators::NonlocalContactsCalculator &
- clone(self: pyrosetta.rosetta.protocols.pose_metric_calculators.NonlocalContactsCalculator) pyrosetta.rosetta.core.pose.metrics.PoseMetricCalculator ¶
C++: protocols::pose_metric_calculators::NonlocalContactsCalculator::clone() const –> class std::shared_ptr<class core::pose::metrics::PoseMetricCalculator>
- get(*args, **kwargs)¶
Overloaded function.
get(self: pyrosetta.rosetta.core.pose.metrics.EnergyDependentCalculator, key: str, val: pyrosetta.rosetta.basic.MetricValueBase, this_pose: pyrosetta.rosetta.core.pose.Pose) -> None
C++: core::pose::metrics::EnergyDependentCalculator::get(const std::string &, class basic::MetricValueBase &, const class core::pose::Pose &) –> void
get(self: pyrosetta.rosetta.core.pose.metrics.EnergyDependentCalculator, key: str, this_pose: pyrosetta.rosetta.core.pose.Pose) -> str
C++: core::pose::metrics::EnergyDependentCalculator::get(const std::string &, const class core::pose::Pose &) –> std::string
- notify_energy_change(self: pyrosetta.rosetta.core.pose.metrics.EnergyDependentCalculator) None ¶
C++: core::pose::metrics::EnergyDependentCalculator::notify_energy_change() –> void
- notify_structure_change(self: pyrosetta.rosetta.core.pose.metrics.PoseMetricCalculator) None ¶
C++: core::pose::metrics::PoseMetricCalculator::notify_structure_change() –> void
- class pyrosetta.rosetta.protocols.pose_metric_calculators.PackstatCalculator¶
Bases:
StructureDependentCalculator
- assign(self: pyrosetta.rosetta.protocols.pose_metric_calculators.PackstatCalculator, : pyrosetta.rosetta.protocols.pose_metric_calculators.PackstatCalculator) pyrosetta.rosetta.protocols.pose_metric_calculators.PackstatCalculator ¶
C++: protocols::pose_metric_calculators::PackstatCalculator::operator=(const class protocols::pose_metric_calculators::PackstatCalculator &) –> class protocols::pose_metric_calculators::PackstatCalculator &
- clone(self: pyrosetta.rosetta.protocols.pose_metric_calculators.PackstatCalculator) pyrosetta.rosetta.core.pose.metrics.PoseMetricCalculator ¶
C++: protocols::pose_metric_calculators::PackstatCalculator::clone() const –> class std::shared_ptr<class core::pose::metrics::PoseMetricCalculator>
- get(*args, **kwargs)¶
Overloaded function.
get(self: pyrosetta.rosetta.core.pose.metrics.StructureDependentCalculator, key: str, val: pyrosetta.rosetta.basic.MetricValueBase, this_pose: pyrosetta.rosetta.core.pose.Pose) -> None
C++: core::pose::metrics::StructureDependentCalculator::get(const std::string &, class basic::MetricValueBase &, const class core::pose::Pose &) –> void
get(self: pyrosetta.rosetta.core.pose.metrics.StructureDependentCalculator, key: str, this_pose: pyrosetta.rosetta.core.pose.Pose) -> str
C++: core::pose::metrics::StructureDependentCalculator::get(const std::string &, const class core::pose::Pose &) –> std::string
- notify_energy_change(self: pyrosetta.rosetta.core.pose.metrics.PoseMetricCalculator) None ¶
C++: core::pose::metrics::PoseMetricCalculator::notify_energy_change() –> void
- notify_structure_change(self: pyrosetta.rosetta.core.pose.metrics.StructureDependentCalculator) None ¶
C++: core::pose::metrics::StructureDependentCalculator::notify_structure_change() –> void
- class pyrosetta.rosetta.protocols.pose_metric_calculators.PiPiCalculator¶
Bases:
StructureDependentCalculator
- assign(self: pyrosetta.rosetta.protocols.pose_metric_calculators.PiPiCalculator, : pyrosetta.rosetta.protocols.pose_metric_calculators.PiPiCalculator) pyrosetta.rosetta.protocols.pose_metric_calculators.PiPiCalculator ¶
C++: protocols::pose_metric_calculators::PiPiCalculator::operator=(const class protocols::pose_metric_calculators::PiPiCalculator &) –> class protocols::pose_metric_calculators::PiPiCalculator &
- clone(self: pyrosetta.rosetta.protocols.pose_metric_calculators.PiPiCalculator) pyrosetta.rosetta.core.pose.metrics.PoseMetricCalculator ¶
C++: protocols::pose_metric_calculators::PiPiCalculator::clone() const –> class std::shared_ptr<class core::pose::metrics::PoseMetricCalculator>
- get(*args, **kwargs)¶
Overloaded function.
get(self: pyrosetta.rosetta.core.pose.metrics.StructureDependentCalculator, key: str, val: pyrosetta.rosetta.basic.MetricValueBase, this_pose: pyrosetta.rosetta.core.pose.Pose) -> None
C++: core::pose::metrics::StructureDependentCalculator::get(const std::string &, class basic::MetricValueBase &, const class core::pose::Pose &) –> void
get(self: pyrosetta.rosetta.core.pose.metrics.StructureDependentCalculator, key: str, this_pose: pyrosetta.rosetta.core.pose.Pose) -> str
C++: core::pose::metrics::StructureDependentCalculator::get(const std::string &, const class core::pose::Pose &) –> std::string
- notify_energy_change(self: pyrosetta.rosetta.core.pose.metrics.PoseMetricCalculator) None ¶
C++: core::pose::metrics::PoseMetricCalculator::notify_energy_change() –> void
- notify_structure_change(self: pyrosetta.rosetta.core.pose.metrics.StructureDependentCalculator) None ¶
C++: core::pose::metrics::StructureDependentCalculator::notify_structure_change() –> void
- class pyrosetta.rosetta.protocols.pose_metric_calculators.ResidueDecompositionByChainCalculator¶
Bases:
ResidueDecompositionCalculator
- assign(self: pyrosetta.rosetta.protocols.pose_metric_calculators.ResidueDecompositionByChainCalculator, : pyrosetta.rosetta.protocols.pose_metric_calculators.ResidueDecompositionByChainCalculator) pyrosetta.rosetta.protocols.pose_metric_calculators.ResidueDecompositionByChainCalculator ¶
C++: protocols::pose_metric_calculators::ResidueDecompositionByChainCalculator::operator=(const class protocols::pose_metric_calculators::ResidueDecompositionByChainCalculator &) –> class protocols::pose_metric_calculators::ResidueDecompositionByChainCalculator &
- chain_letters(*args, **kwargs)¶
Overloaded function.
chain_letters(self: pyrosetta.rosetta.protocols.pose_metric_calculators.ResidueDecompositionByChainCalculator) -> pyrosetta.rosetta.utility.vector1_std_set_char_t
C++: protocols::pose_metric_calculators::ResidueDecompositionByChainCalculator::chain_letters() const –> const class utility::vector1<class std::set<char, struct std::less<char>, class std::allocator<char> >, class std::allocator<class std::set<char, struct std::less<char>, class std::allocator<char> > > > &
chain_letters(self: pyrosetta.rosetta.protocols.pose_metric_calculators.ResidueDecompositionByChainCalculator, chain_letters: pyrosetta.rosetta.utility.vector1_std_set_char_t) -> None
C++: protocols::pose_metric_calculators::ResidueDecompositionByChainCalculator::chain_letters(const class utility::vector1<class std::set<char, struct std::less<char>, class std::allocator<char> >, class std::allocator<class std::set<char, struct std::less<char>, class std::allocator<char> > > > &) –> void
- chain_numbers(*args, **kwargs)¶
Overloaded function.
chain_numbers(self: pyrosetta.rosetta.protocols.pose_metric_calculators.ResidueDecompositionByChainCalculator) -> pyrosetta.rosetta.utility.vector1_std_set_unsigned_long_t
C++: protocols::pose_metric_calculators::ResidueDecompositionByChainCalculator::chain_numbers() const –> const class utility::vector1<class std::set<unsigned long, struct std::less<unsigned long>, class std::allocator<unsigned long> >, class std::allocator<class std::set<unsigned long, struct std::less<unsigned long>, class std::allocator<unsigned long> > > > &
chain_numbers(self: pyrosetta.rosetta.protocols.pose_metric_calculators.ResidueDecompositionByChainCalculator, chain_numbers: pyrosetta.rosetta.utility.vector1_std_set_unsigned_long_t) -> None
C++: protocols::pose_metric_calculators::ResidueDecompositionByChainCalculator::chain_numbers(const class utility::vector1<class std::set<unsigned long, struct std::less<unsigned long>, class std::allocator<unsigned long> >, class std::allocator<class std::set<unsigned long, struct std::less<unsigned long>, class std::allocator<unsigned long> > > > &) –> void
- clone(self: pyrosetta.rosetta.protocols.pose_metric_calculators.ResidueDecompositionByChainCalculator) pyrosetta.rosetta.core.pose.metrics.PoseMetricCalculator ¶
C++: protocols::pose_metric_calculators::ResidueDecompositionByChainCalculator::clone() const –> class std::shared_ptr<class core::pose::metrics::PoseMetricCalculator>
- get(*args, **kwargs)¶
Overloaded function.
get(self: pyrosetta.rosetta.core.pose.metrics.StructureDependentCalculator, key: str, val: pyrosetta.rosetta.basic.MetricValueBase, this_pose: pyrosetta.rosetta.core.pose.Pose) -> None
C++: core::pose::metrics::StructureDependentCalculator::get(const std::string &, class basic::MetricValueBase &, const class core::pose::Pose &) –> void
get(self: pyrosetta.rosetta.core.pose.metrics.StructureDependentCalculator, key: str, this_pose: pyrosetta.rosetta.core.pose.Pose) -> str
C++: core::pose::metrics::StructureDependentCalculator::get(const std::string &, const class core::pose::Pose &) –> std::string
- notify_energy_change(self: pyrosetta.rosetta.core.pose.metrics.PoseMetricCalculator) None ¶
C++: core::pose::metrics::PoseMetricCalculator::notify_energy_change() –> void
- notify_structure_change(self: pyrosetta.rosetta.core.pose.metrics.StructureDependentCalculator) None ¶
C++: core::pose::metrics::StructureDependentCalculator::notify_structure_change() –> void
- use_numbers(*args, **kwargs)¶
Overloaded function.
use_numbers(self: pyrosetta.rosetta.protocols.pose_metric_calculators.ResidueDecompositionByChainCalculator) -> bool
C++: protocols::pose_metric_calculators::ResidueDecompositionByChainCalculator::use_numbers() const –> bool
use_numbers(self: pyrosetta.rosetta.protocols.pose_metric_calculators.ResidueDecompositionByChainCalculator, use_numbers: bool) -> None
C++: protocols::pose_metric_calculators::ResidueDecompositionByChainCalculator::use_numbers(bool) –> void
- class pyrosetta.rosetta.protocols.pose_metric_calculators.ResidueDecompositionCalculator¶
Bases:
StructureDependentCalculator
- assign(self: pyrosetta.rosetta.protocols.pose_metric_calculators.ResidueDecompositionCalculator, : pyrosetta.rosetta.protocols.pose_metric_calculators.ResidueDecompositionCalculator) pyrosetta.rosetta.protocols.pose_metric_calculators.ResidueDecompositionCalculator ¶
C++: protocols::pose_metric_calculators::ResidueDecompositionCalculator::operator=(const class protocols::pose_metric_calculators::ResidueDecompositionCalculator &) –> class protocols::pose_metric_calculators::ResidueDecompositionCalculator &
- clone(self: pyrosetta.rosetta.protocols.pose_metric_calculators.ResidueDecompositionCalculator) pyrosetta.rosetta.core.pose.metrics.PoseMetricCalculator ¶
C++: protocols::pose_metric_calculators::ResidueDecompositionCalculator::clone() const –> class std::shared_ptr<class core::pose::metrics::PoseMetricCalculator>
- get(*args, **kwargs)¶
Overloaded function.
get(self: pyrosetta.rosetta.core.pose.metrics.StructureDependentCalculator, key: str, val: pyrosetta.rosetta.basic.MetricValueBase, this_pose: pyrosetta.rosetta.core.pose.Pose) -> None
C++: core::pose::metrics::StructureDependentCalculator::get(const std::string &, class basic::MetricValueBase &, const class core::pose::Pose &) –> void
get(self: pyrosetta.rosetta.core.pose.metrics.StructureDependentCalculator, key: str, this_pose: pyrosetta.rosetta.core.pose.Pose) -> str
C++: core::pose::metrics::StructureDependentCalculator::get(const std::string &, const class core::pose::Pose &) –> std::string
- notify_energy_change(self: pyrosetta.rosetta.core.pose.metrics.PoseMetricCalculator) None ¶
C++: core::pose::metrics::PoseMetricCalculator::notify_energy_change() –> void
- notify_structure_change(self: pyrosetta.rosetta.core.pose.metrics.StructureDependentCalculator) None ¶
C++: core::pose::metrics::StructureDependentCalculator::notify_structure_change() –> void
- class pyrosetta.rosetta.protocols.pose_metric_calculators.RotamerBoltzCalculator¶
Bases:
StructureDependentCalculator
- assign(self: pyrosetta.rosetta.protocols.pose_metric_calculators.RotamerBoltzCalculator, : pyrosetta.rosetta.protocols.pose_metric_calculators.RotamerBoltzCalculator) pyrosetta.rosetta.protocols.pose_metric_calculators.RotamerBoltzCalculator ¶
C++: protocols::pose_metric_calculators::RotamerBoltzCalculator::operator=(const class protocols::pose_metric_calculators::RotamerBoltzCalculator &) –> class protocols::pose_metric_calculators::RotamerBoltzCalculator &
- clone(self: pyrosetta.rosetta.protocols.pose_metric_calculators.RotamerBoltzCalculator) pyrosetta.rosetta.core.pose.metrics.PoseMetricCalculator ¶
C++: protocols::pose_metric_calculators::RotamerBoltzCalculator::clone() const –> class std::shared_ptr<class core::pose::metrics::PoseMetricCalculator>
- computeAllBoltz(self: pyrosetta.rosetta.protocols.pose_metric_calculators.RotamerBoltzCalculator, pose: pyrosetta.rosetta.core.pose.Pose) None ¶
C++: protocols::pose_metric_calculators::RotamerBoltzCalculator::computeAllBoltz(const class core::pose::Pose &) –> void
- computeBoltzWeight(self: pyrosetta.rosetta.protocols.pose_metric_calculators.RotamerBoltzCalculator, pose: pyrosetta.rosetta.core.pose.Pose, resi: int) float ¶
C++: protocols::pose_metric_calculators::RotamerBoltzCalculator::computeBoltzWeight(class core::pose::Pose &, unsigned long) –> double
- get(*args, **kwargs)¶
Overloaded function.
get(self: pyrosetta.rosetta.core.pose.metrics.StructureDependentCalculator, key: str, val: pyrosetta.rosetta.basic.MetricValueBase, this_pose: pyrosetta.rosetta.core.pose.Pose) -> None
C++: core::pose::metrics::StructureDependentCalculator::get(const std::string &, class basic::MetricValueBase &, const class core::pose::Pose &) –> void
get(self: pyrosetta.rosetta.core.pose.metrics.StructureDependentCalculator, key: str, this_pose: pyrosetta.rosetta.core.pose.Pose) -> str
C++: core::pose::metrics::StructureDependentCalculator::get(const std::string &, const class core::pose::Pose &) –> std::string
- notify_energy_change(self: pyrosetta.rosetta.core.pose.metrics.PoseMetricCalculator) None ¶
C++: core::pose::metrics::PoseMetricCalculator::notify_energy_change() –> void
- notify_structure_change(self: pyrosetta.rosetta.core.pose.metrics.StructureDependentCalculator) None ¶
C++: core::pose::metrics::StructureDependentCalculator::notify_structure_change() –> void
- set_energy_landscape_evaluator(self: pyrosetta.rosetta.protocols.pose_metric_calculators.RotamerBoltzCalculator, evaluator: protocols::toolbox::EnergyLandscapeEvaluator) None ¶
C++: protocols::pose_metric_calculators::RotamerBoltzCalculator::set_energy_landscape_evaluator(class std::shared_ptr<const class protocols::toolbox::EnergyLandscapeEvaluator>) –> void
- set_lazy(self: pyrosetta.rosetta.protocols.pose_metric_calculators.RotamerBoltzCalculator, lazy: bool) None ¶
C++: protocols::pose_metric_calculators::RotamerBoltzCalculator::set_lazy(const bool) –> void
- set_residue_selector(self: pyrosetta.rosetta.protocols.pose_metric_calculators.RotamerBoltzCalculator, selector: pyrosetta.rosetta.core.select.residue_selector.ResidueSelector) None ¶
C++: protocols::pose_metric_calculators::RotamerBoltzCalculator::set_residue_selector(class std::shared_ptr<const class core::select::residue_selector::ResidueSelector>) –> void
- set_scorefxn(self: pyrosetta.rosetta.protocols.pose_metric_calculators.RotamerBoltzCalculator, scorefxn: pyrosetta.rosetta.core.scoring.ScoreFunction) None ¶
C++: protocols::pose_metric_calculators::RotamerBoltzCalculator::set_scorefxn(class std::shared_ptr<const class core::scoring::ScoreFunction>) –> void
- class pyrosetta.rosetta.protocols.pose_metric_calculators.RotamerRecovery¶
Bases:
pybind11_object
- bb_bins_from_pose(self: pyrosetta.rosetta.protocols.pose_metric_calculators.RotamerRecovery, pose: pyrosetta.rosetta.core.pose.Pose) pyrosetta.rosetta.utility.vector1_char ¶
C++: protocols::pose_metric_calculators::RotamerRecovery::bb_bins_from_pose(const class core::pose::Pose &) –> class utility::vector1<char, class std::allocator<char> >
- chis_from_pose(self: pyrosetta.rosetta.protocols.pose_metric_calculators.RotamerRecovery, pose: pyrosetta.rosetta.core.pose.Pose) pyrosetta.rosetta.utility.vector1_utility_vector1_double_std_allocator_double_t ¶
C++: protocols::pose_metric_calculators::RotamerRecovery::chis_from_pose(const class core::pose::Pose &) –> class utility::vector1<class utility::vector1<double, class std::allocator<double> >, class std::allocator<class utility::vector1<double, class std::allocator<double> > > >
- get_rotamer_recovery(*args, **kwargs)¶
Overloaded function.
get_rotamer_recovery(self: pyrosetta.rosetta.protocols.pose_metric_calculators.RotamerRecovery, native: pyrosetta.rosetta.core.pose.Pose, compared_poses: pyrosetta.rosetta.utility.vector1_core_pose_Pose) -> None
C++: protocols::pose_metric_calculators::RotamerRecovery::get_rotamer_recovery(class core::pose::Pose &, class utility::vector1<class core::pose::Pose, class std::allocator<class core::pose::Pose> > &) –> void
get_rotamer_recovery(self: pyrosetta.rosetta.protocols.pose_metric_calculators.RotamerRecovery, native: pyrosetta.rosetta.core.pose.Pose, compared_pose: pyrosetta.rosetta.core.pose.Pose) -> None
C++: protocols::pose_metric_calculators::RotamerRecovery::get_rotamer_recovery(class core::pose::Pose &, class core::pose::Pose &) –> void
- get_ss(self: pyrosetta.rosetta.protocols.pose_metric_calculators.RotamerRecovery, pose: pyrosetta.rosetta.core.pose.Pose) pyrosetta.rosetta.utility.vector1_char ¶
C++: protocols::pose_metric_calculators::RotamerRecovery::get_ss(class core::pose::Pose &) –> class utility::vector1<char, class std::allocator<char> >
- print_rot_vec(self: pyrosetta.rosetta.protocols.pose_metric_calculators.RotamerRecovery, rot_vec: pyrosetta.rosetta.utility.vector1_unsigned_long, out: pyrosetta.rosetta.std.ostream) None ¶
C++: protocols::pose_metric_calculators::RotamerRecovery::print_rot_vec(class utility::vector1<unsigned long, class std::allocator<unsigned long> >, std::ostream &) –> void
- rots_from_pose(self: pyrosetta.rosetta.protocols.pose_metric_calculators.RotamerRecovery, pose: pyrosetta.rosetta.core.pose.Pose) pyrosetta.rosetta.utility.vector1_utility_vector1_unsigned_long_std_allocator_unsigned_long_t ¶
C++: protocols::pose_metric_calculators::RotamerRecovery::rots_from_pose(const class core::pose::Pose &) –> class utility::vector1<class utility::vector1<unsigned long, class std::allocator<unsigned long> >, class std::allocator<class utility::vector1<unsigned long, class std::allocator<unsigned long> > > >
- torsion2big_bin(self: pyrosetta.rosetta.protocols.pose_metric_calculators.RotamerRecovery, phi: float, psi: float, omega: float) str ¶
C++: protocols::pose_metric_calculators::RotamerRecovery::torsion2big_bin(const float, const float, const float) –> char
- class pyrosetta.rosetta.protocols.pose_metric_calculators.SHOBuriedUnsatisfiedPolarsCalculator¶
Bases:
StructureDependentCalculator
- assign(self: pyrosetta.rosetta.protocols.pose_metric_calculators.SHOBuriedUnsatisfiedPolarsCalculator, : pyrosetta.rosetta.protocols.pose_metric_calculators.SHOBuriedUnsatisfiedPolarsCalculator) pyrosetta.rosetta.protocols.pose_metric_calculators.SHOBuriedUnsatisfiedPolarsCalculator ¶
C++: protocols::pose_metric_calculators::SHOBuriedUnsatisfiedPolarsCalculator::operator=(const class protocols::pose_metric_calculators::SHOBuriedUnsatisfiedPolarsCalculator &) –> class protocols::pose_metric_calculators::SHOBuriedUnsatisfiedPolarsCalculator &
- burunsat_atoms(self: pyrosetta.rosetta.protocols.pose_metric_calculators.SHOBuriedUnsatisfiedPolarsCalculator) pyrosetta.rosetta.utility.vector1_core_id_AtomID ¶
returns the set of target atoms classified as “buried unsatisfied”
C++: protocols::pose_metric_calculators::SHOBuriedUnsatisfiedPolarsCalculator::burunsat_atoms() –> const class utility::vector1<class core::id::AtomID, class std::allocator<class core::id::AtomID> > &
- clone(self: pyrosetta.rosetta.protocols.pose_metric_calculators.SHOBuriedUnsatisfiedPolarsCalculator) pyrosetta.rosetta.core.pose.metrics.PoseMetricCalculator ¶
clones this calculator
C++: protocols::pose_metric_calculators::SHOBuriedUnsatisfiedPolarsCalculator::clone() const –> class std::shared_ptr<class core::pose::metrics::PoseMetricCalculator>
- get(*args, **kwargs)¶
Overloaded function.
get(self: pyrosetta.rosetta.core.pose.metrics.StructureDependentCalculator, key: str, val: pyrosetta.rosetta.basic.MetricValueBase, this_pose: pyrosetta.rosetta.core.pose.Pose) -> None
C++: core::pose::metrics::StructureDependentCalculator::get(const std::string &, class basic::MetricValueBase &, const class core::pose::Pose &) –> void
get(self: pyrosetta.rosetta.core.pose.metrics.StructureDependentCalculator, key: str, this_pose: pyrosetta.rosetta.core.pose.Pose) -> str
C++: core::pose::metrics::StructureDependentCalculator::get(const std::string &, const class core::pose::Pose &) –> std::string
- hbond_energy(self: pyrosetta.rosetta.protocols.pose_metric_calculators.SHOBuriedUnsatisfiedPolarsCalculator, aid: pyrosetta.rosetta.core.id.AtomID, ps: pyrosetta.rosetta.core.pose.Pose) float ¶
returns the total H-bond energy of an atom
C++: protocols::pose_metric_calculators::SHOBuriedUnsatisfiedPolarsCalculator::hbond_energy(class core::id::AtomID, const class core::pose::Pose &) const –> double
- notify_energy_change(self: pyrosetta.rosetta.core.pose.metrics.PoseMetricCalculator) None ¶
C++: core::pose::metrics::PoseMetricCalculator::notify_energy_change() –> void
- notify_structure_change(self: pyrosetta.rosetta.core.pose.metrics.StructureDependentCalculator) None ¶
C++: core::pose::metrics::StructureDependentCalculator::notify_structure_change() –> void
- other_atoms(self: pyrosetta.rosetta.protocols.pose_metric_calculators.SHOBuriedUnsatisfiedPolarsCalculator) pyrosetta.rosetta.utility.vector1_core_id_AtomID ¶
returns the set of target atoms classified as “other”
C++: protocols::pose_metric_calculators::SHOBuriedUnsatisfiedPolarsCalculator::other_atoms() –> const class utility::vector1<class core::id::AtomID, class std::allocator<class core::id::AtomID> > &
- print_all_info(self: pyrosetta.rosetta.protocols.pose_metric_calculators.SHOBuriedUnsatisfiedPolarsCalculator, ps: pyrosetta.rosetta.core.pose.Pose) None ¶
prints all information in this calculator
C++: protocols::pose_metric_calculators::SHOBuriedUnsatisfiedPolarsCalculator::print_all_info(const class core::pose::Pose &) const –> void
- recompute_and_print(self: pyrosetta.rosetta.protocols.pose_metric_calculators.SHOBuriedUnsatisfiedPolarsCalculator, ps: pyrosetta.rosetta.core.pose.Pose) None ¶
recomputes all data from scratch and prints it to screen
C++: protocols::pose_metric_calculators::SHOBuriedUnsatisfiedPolarsCalculator::recompute_and_print(const class core::pose::Pose &) –> void
- class pyrosetta.rosetta.protocols.pose_metric_calculators.SaltBridgeCalculator¶
Bases:
StructureDependentCalculator
- assign(self: pyrosetta.rosetta.protocols.pose_metric_calculators.SaltBridgeCalculator, : pyrosetta.rosetta.protocols.pose_metric_calculators.SaltBridgeCalculator) pyrosetta.rosetta.protocols.pose_metric_calculators.SaltBridgeCalculator ¶
C++: protocols::pose_metric_calculators::SaltBridgeCalculator::operator=(const class protocols::pose_metric_calculators::SaltBridgeCalculator &) –> class protocols::pose_metric_calculators::SaltBridgeCalculator &
- clone(self: pyrosetta.rosetta.protocols.pose_metric_calculators.SaltBridgeCalculator) pyrosetta.rosetta.core.pose.metrics.PoseMetricCalculator ¶
C++: protocols::pose_metric_calculators::SaltBridgeCalculator::clone() const –> class std::shared_ptr<class core::pose::metrics::PoseMetricCalculator>
- get(*args, **kwargs)¶
Overloaded function.
get(self: pyrosetta.rosetta.core.pose.metrics.StructureDependentCalculator, key: str, val: pyrosetta.rosetta.basic.MetricValueBase, this_pose: pyrosetta.rosetta.core.pose.Pose) -> None
C++: core::pose::metrics::StructureDependentCalculator::get(const std::string &, class basic::MetricValueBase &, const class core::pose::Pose &) –> void
get(self: pyrosetta.rosetta.core.pose.metrics.StructureDependentCalculator, key: str, this_pose: pyrosetta.rosetta.core.pose.Pose) -> str
C++: core::pose::metrics::StructureDependentCalculator::get(const std::string &, const class core::pose::Pose &) –> std::string
- notify_energy_change(self: pyrosetta.rosetta.core.pose.metrics.PoseMetricCalculator) None ¶
C++: core::pose::metrics::PoseMetricCalculator::notify_energy_change() –> void
- notify_structure_change(self: pyrosetta.rosetta.core.pose.metrics.StructureDependentCalculator) None ¶
C++: core::pose::metrics::StructureDependentCalculator::notify_structure_change() –> void
- class pyrosetta.rosetta.protocols.pose_metric_calculators.SemiExplicitWaterUnsatisfiedPolarsCalculator¶
Bases:
EnergyDependentCalculator
- assign(self: pyrosetta.rosetta.protocols.pose_metric_calculators.SemiExplicitWaterUnsatisfiedPolarsCalculator, : pyrosetta.rosetta.protocols.pose_metric_calculators.SemiExplicitWaterUnsatisfiedPolarsCalculator) pyrosetta.rosetta.protocols.pose_metric_calculators.SemiExplicitWaterUnsatisfiedPolarsCalculator ¶
C++: protocols::pose_metric_calculators::SemiExplicitWaterUnsatisfiedPolarsCalculator::operator=(const class protocols::pose_metric_calculators::SemiExplicitWaterUnsatisfiedPolarsCalculator &) –> class protocols::pose_metric_calculators::SemiExplicitWaterUnsatisfiedPolarsCalculator &
- clone(self: pyrosetta.rosetta.protocols.pose_metric_calculators.SemiExplicitWaterUnsatisfiedPolarsCalculator) pyrosetta.rosetta.core.pose.metrics.PoseMetricCalculator ¶
C++: protocols::pose_metric_calculators::SemiExplicitWaterUnsatisfiedPolarsCalculator::clone() const –> class std::shared_ptr<class core::pose::metrics::PoseMetricCalculator>
- get(*args, **kwargs)¶
Overloaded function.
get(self: pyrosetta.rosetta.core.pose.metrics.EnergyDependentCalculator, key: str, val: pyrosetta.rosetta.basic.MetricValueBase, this_pose: pyrosetta.rosetta.core.pose.Pose) -> None
C++: core::pose::metrics::EnergyDependentCalculator::get(const std::string &, class basic::MetricValueBase &, const class core::pose::Pose &) –> void
get(self: pyrosetta.rosetta.core.pose.metrics.EnergyDependentCalculator, key: str, this_pose: pyrosetta.rosetta.core.pose.Pose) -> str
C++: core::pose::metrics::EnergyDependentCalculator::get(const std::string &, const class core::pose::Pose &) –> std::string
- name_of_hbond_calc(self: pyrosetta.rosetta.protocols.pose_metric_calculators.SemiExplicitWaterUnsatisfiedPolarsCalculator) str ¶
C++: protocols::pose_metric_calculators::SemiExplicitWaterUnsatisfiedPolarsCalculator::name_of_hbond_calc() const –> const std::string &
- notify_energy_change(self: pyrosetta.rosetta.core.pose.metrics.EnergyDependentCalculator) None ¶
C++: core::pose::metrics::EnergyDependentCalculator::notify_energy_change() –> void
- notify_structure_change(self: pyrosetta.rosetta.core.pose.metrics.PoseMetricCalculator) None ¶
C++: core::pose::metrics::PoseMetricCalculator::notify_structure_change() –> void
- semiexpl_water_hbgeom_score(self: pyrosetta.rosetta.protocols.pose_metric_calculators.SemiExplicitWaterUnsatisfiedPolarsCalculator, pose: pyrosetta.rosetta.core.pose.Pose, scorefxn: pyrosetta.rosetta.core.scoring.ScoreFunction, seqpos: int, atomno: int, new_rsd: pyrosetta.rosetta.core.conformation.Residue, new_atomno: int) float ¶
C++: protocols::pose_metric_calculators::SemiExplicitWaterUnsatisfiedPolarsCalculator::semiexpl_water_hbgeom_score(class core::pose::Pose, class std::shared_ptr<class core::scoring::ScoreFunction>, unsigned long, unsigned long, class core::conformation::Residue, unsigned long) –> double
- class pyrosetta.rosetta.protocols.pose_metric_calculators.SequenceComparison¶
Bases:
pybind11_object
- fill_designable_set(self: pyrosetta.rosetta.protocols.pose_metric_calculators.SequenceComparison, pose: pyrosetta.rosetta.core.pose.Pose, tf: pyrosetta.rosetta.core.pack.task.TaskFactory) pyrosetta.rosetta.std.set_unsigned_long_t ¶
C++: protocols::pose_metric_calculators::SequenceComparison::fill_designable_set(class core::pose::Pose &, class std::shared_ptr<class core::pack::task::TaskFactory> &) –> class std::set<unsigned long, struct std::less<unsigned long>, class std::allocator<unsigned long> >
- fill_num_neighbors(self: pyrosetta.rosetta.protocols.pose_metric_calculators.SequenceComparison, pose: pyrosetta.rosetta.core.pose.Pose, num_nbs: pyrosetta.rosetta.utility.vector1_unsigned_long) None ¶
C++: protocols::pose_metric_calculators::SequenceComparison::fill_num_neighbors(class core::pose::Pose &, class utility::vector1<unsigned long, class std::allocator<unsigned long> > &) –> void
- get_sequence_recovery(*args, **kwargs)¶
Overloaded function.
get_sequence_recovery(self: pyrosetta.rosetta.protocols.pose_metric_calculators.SequenceComparison, native_poses: pyrosetta.rosetta.utility.vector1_core_pose_Pose, redesign_poses: pyrosetta.rosetta.utility.vector1_core_pose_Pose) -> None
main function that is called. calls measure_sequence_recovery
C++: protocols::pose_metric_calculators::SequenceComparison::get_sequence_recovery(class utility::vector1<class core::pose::Pose, class std::allocator<class core::pose::Pose> > &, class utility::vector1<class core::pose::Pose, class std::allocator<class core::pose::Pose> > &) –> void
get_sequence_recovery(self: pyrosetta.rosetta.protocols.pose_metric_calculators.SequenceComparison, native: pyrosetta.rosetta.core.pose.Pose, designed: pyrosetta.rosetta.core.pose.Pose) -> None
overflowed main function to compare only two proteins
C++: protocols::pose_metric_calculators::SequenceComparison::get_sequence_recovery(class core::pose::Pose &, class core::pose::Pose &) –> void
- measure_sequence_recovery(self: pyrosetta.rosetta.protocols.pose_metric_calculators.SequenceComparison, native_poses: pyrosetta.rosetta.utility.vector1_core_pose_Pose, redesign_poses: pyrosetta.rosetta.utility.vector1_core_pose_Pose) None ¶
measures the sequence recovery of a list of native proteins and a list of designed proteins. Outputs files to sequencerecovery.txt
C++: protocols::pose_metric_calculators::SequenceComparison::measure_sequence_recovery(class utility::vector1<class core::pose::Pose, class std::allocator<class core::pose::Pose> > &, class utility::vector1<class core::pose::Pose, class std::allocator<class core::pose::Pose> > &) –> void
- setup_tf(self: pyrosetta.rosetta.protocols.pose_metric_calculators.SequenceComparison, task_factory_: pyrosetta.rosetta.core.pack.task.TaskFactory) pyrosetta.rosetta.core.pack.task.TaskFactory ¶
sets up the task factory used for determing what the neighbor counts…what is on the surface and what is in the core
C++: protocols::pose_metric_calculators::SequenceComparison::setup_tf(class std::shared_ptr<class core::pack::task::TaskFactory>) –> class std::shared_ptr<class core::pack::task::TaskFactory>
- class pyrosetta.rosetta.protocols.pose_metric_calculators.SurfaceCalculator¶
Bases:
StructureDependentCalculator
- assign(self: pyrosetta.rosetta.protocols.pose_metric_calculators.SurfaceCalculator, : pyrosetta.rosetta.protocols.pose_metric_calculators.SurfaceCalculator) pyrosetta.rosetta.protocols.pose_metric_calculators.SurfaceCalculator ¶
C++: protocols::pose_metric_calculators::SurfaceCalculator::operator=(const class protocols::pose_metric_calculators::SurfaceCalculator &) –> class protocols::pose_metric_calculators::SurfaceCalculator &
- clone(self: pyrosetta.rosetta.protocols.pose_metric_calculators.SurfaceCalculator) pyrosetta.rosetta.core.pose.metrics.PoseMetricCalculator ¶
C++: protocols::pose_metric_calculators::SurfaceCalculator::clone() const –> class std::shared_ptr<class core::pose::metrics::PoseMetricCalculator>
- get(*args, **kwargs)¶
Overloaded function.
get(self: pyrosetta.rosetta.core.pose.metrics.StructureDependentCalculator, key: str, val: pyrosetta.rosetta.basic.MetricValueBase, this_pose: pyrosetta.rosetta.core.pose.Pose) -> None
C++: core::pose::metrics::StructureDependentCalculator::get(const std::string &, class basic::MetricValueBase &, const class core::pose::Pose &) –> void
get(self: pyrosetta.rosetta.core.pose.metrics.StructureDependentCalculator, key: str, this_pose: pyrosetta.rosetta.core.pose.Pose) -> str
C++: core::pose::metrics::StructureDependentCalculator::get(const std::string &, const class core::pose::Pose &) –> std::string
- notify_energy_change(self: pyrosetta.rosetta.core.pose.metrics.PoseMetricCalculator) None ¶
C++: core::pose::metrics::PoseMetricCalculator::notify_energy_change() –> void
- notify_structure_change(self: pyrosetta.rosetta.core.pose.metrics.StructureDependentCalculator) None ¶
C++: core::pose::metrics::StructureDependentCalculator::notify_structure_change() –> void
- pyrosetta.rosetta.protocols.pose_metric_calculators.residue_subset(setf: str, rset: pyrosetta.rosetta.utility.vector1_unsigned_long, ps: pyrosetta.rosetta.core.pose.Pose) None ¶
extracts the pose indexes of a selected subset of residues
C++: protocols::pose_metric_calculators::residue_subset(std::string, class utility::vector1<unsigned long, class std::allocator<unsigned long> > &, class core::pose::Pose &) –> void