PyCOMPADRE: Compadre Toolkit

Important: Be sure to initialize Kokkos before setting up any objects from this library, by created a scoped KokkosParser object, i.e:

kp = pycompadre.KokkosParser()

When kp goes out of scope, then Kokkos will be finalized.

GMLS type objects are passed to ParticleHelper objects. Be sure to deallocate in reverse order, i.e.:

>> kp = pycompadre.KokkosParser()
>> gmls_obj = GMLS(...)
>> gmls_helper = ParticleHelper(gmls_object)
...
...
>> del gmls_obj
>> del gmls_helper
>> del kp

Project details at: https://github.com/sandialabs/compadre

Implementation details at: https://github.com/sandialabs/compadre/blob/master/pycompadre/pycompadre.cpp

Compadre_DEBUG: False Compadre_BUILD_TYPE: RelWithDebInfo

Classes

pycompadre.KokkosParser

class pycompadre.KokkosParser(*args, **kwargs)

Class wrapping the functionality of Kokkos::ScopeGuard. Multiple instances can can be instantiated and go out of scope with only one instance initiating Kokkos and the last instance finalizing Kokkos when it goes out of scope.

__init__(self, args: collections.abc.Sequence[str], print: bool = False) → None
__init__(self, print: bool = False) → None
status = <nanobind.nb_func object>

pycompadre.GMLS

class pycompadre.GMLS(*args, **kwargs)
__init__(self, poly_order: int, dimension: int = 3, dense_solver_type: str = 'QR', problem_type: str = 'STANDARD', constraint_type: str = 'NO_CONSTRAINT', curvature_poly_order: int = 2) → None
__init__(self, reconstruction_space: pycompadre._pycompadre.ReconstructionSpace, sampling_functional: pycompadre._pycompadre.SamplingFunctional, poly_order: int, dimension: int = 3, dense_solver_type: str = 'QR', problem_type: str = 'STANDARD', constraint_type: str = 'NO_CONSTRAINT', curvature_poly_order: int = 2) → None
__init__(self, reconstruction_space: pycompadre._pycompadre.ReconstructionSpace, polynomial_sampling_functional: pycompadre._pycompadre.SamplingFunctional, data_sampling_functional: pycompadre._pycompadre.SamplingFunctional, poly_order: int, dimension: int = 3, dense_solver_type: str = 'QR', problem_type: str = 'STANDARD', constraint_type: str = 'NO_CONSTRAINT', curvature_poly_order: int = 2) → None
addTargets(self, arg: pycompadre._pycompadre.TargetOperation, /) → None
addTargets(self, arg: collections.abc.Sequence[pycompadre._pycompadre.TargetOperation], /) → None

Overloaded function.

  1. addTargets(self, arg: pycompadre._pycompadre.TargetOperation, /) -> None

Add a target operation.

  1. addTargets(self, arg: collections.abc.Sequence[pycompadre._pycompadre.TargetOperation], /) -> None

Add a list of target operations.

containsValidAlphas(self) → bool
generateAlphas(self, number_of_batches: int = 1, keep_coefficients: bool = False, clear_cache: bool = True) → None
getNN(self, arg0: int, arg1: pycompadre._pycompadre.ReconstructionSpace, /) → int

Heuristic number of neighbors.

getNP(self, arg0: int, arg1: pycompadre._pycompadre.ReconstructionSpace, /) → int

Get size of basis.

getSolutionSet(self, validity_check: bool = True) → pycompadre._pycompadre.SolutionSet
getWeightingParameter(self, parameter index: int = 0) → int

Get weighting kernel parameter[index].

getWeightingType(self) → pycompadre._pycompadre.WeightingFunctionType

Get the weighting type.

setDimensionOfQuadraturePoints(self, dim: int) → None
setOrderOfQuadraturePoints(self, order: int) → None
setQuadratureType(self, quadrature_type: str) → None
setSourceExtraData(self, arg: numpy.ndarray[dtype=float64], /) → None
setTargetExtraData(self, arg: numpy.ndarray[dtype=float64], /) → None
setWeightingParameter(self, parameter value: int, parameter index: int = 0) → None

Set weighting kernel parameter[index] to parameter value.

setWeightingPower(self, parameter value: int, parameter index: int = 0) → None

Set weighting kernel parameter[index] to parameter value. [DEPRECATED]

setWeightingType(self, arg: str, /) → None
setWeightingType(self, arg: pycompadre._pycompadre.WeightingFunctionType, /) → None

Overloaded function.

  1. setWeightingType(self, arg: str, /) -> None

Set the weighting type with a string.

  1. setWeightingType(self, arg: pycompadre._pycompadre.WeightingFunctionType, /) -> None

Set the weighting type with a WeightingFunctionType.

pycompadre.ParticleHelper

class pycompadre.ParticleHelper(*args, **kwargs)

Class to manage calling PointCloudSearch, moving data to/from Numpy arrays in Kokkos::Views, and applying GMLS solutions to multidimensional data arrays

__init__(self) → None
__init__(self, gmls_instance: pycompadre._pycompadre.GMLS) → None

Overloaded function.

  1. __init__(self) -> None

    Requires follow-on call to setGMLSObject(gmls_obj) before use

  2. __init__(self, gmls_instance: pycompadre._pycompadre.GMLS) -> None

applyStencil(self, input_data: numpy.ndarray[dtype=float64], target_operation: pycompadre._pycompadre.TargetOperation = TargetOperation.ScalarPointEvaluation, sampling_functional: pycompadre._pycompadre.SamplingFunctional = <pycompadre._pycompadre.SamplingFunctional object at 0x7f133926efa0>, evaluation_site_local_index: int = 0) → numpy.ndarray[dtype=float64]
applyStencilAllTargetsAllAdditionalEvaluationSites(self, input_data: numpy.ndarray[dtype=float64], target_operation: pycompadre._pycompadre.TargetOperation = TargetOperation.ScalarPointEvaluation, sampling_functional: pycompadre._pycompadre.SamplingFunctional = <pycompadre._pycompadre.SamplingFunctional object at 0x7f1338011dd0>) → numpy.ndarray[dtype=float64]
applyStencilSingleTarget(self, input_data: numpy.ndarray[dtype=float64], target_operation: pycompadre._pycompadre.TargetOperation = TargetOperation.ScalarPointEvaluation, sampling_functional: pycompadre._pycompadre.SamplingFunctional = <pycompadre._pycompadre.SamplingFunctional object at 0x7f1338011da0>, evaluation_site_local_index: int = 0) → float
generateKDTree(self, arg: numpy.ndarray[dtype=float64], /) → None
generateNeighborListsFromKNNSearchAndSet(self, target_sites: numpy.ndarray[dtype=float64], poly_order: int, dimension: int = 3, epsilon_multiplier: float = 1.6, max_search_radius: float = 0.0, scale_k_neighbor_radius: bool = True, scale_num_neighbors: bool = False) → None
getAdditionalEvaluationIndices(self) → pycompadre._pycompadre.NeighborLists
getGMLSObject(self) → pycompadre._pycompadre.GMLS
getNeighborLists(self) → pycompadre._pycompadre.NeighborLists
getPolynomialCoefficients(self, input_data: numpy.ndarray[dtype=float64]) → numpy.ndarray[dtype=float64]
getReferenceOutwardNormalDirection(self) → numpy.ndarray[dtype=float64]
getSourceSites(self) → numpy.ndarray[dtype=float64]
getTangentBundle(self) → numpy.ndarray[dtype=float64]
getTargetSites(self) → numpy.ndarray[dtype=float64]
getWindowSizes(self) → numpy.ndarray[dtype=float64]
setAdditionalEvaluationSitesData(self, additional_evaluation_sites_neighbor_lists: numpy.ndarray[dtype=int32], additional_evaluation_sites_coordinates: numpy.ndarray[dtype=float64]) → None
setGMLSObject(self, gmls_object: pycompadre._pycompadre.GMLS) → None
setNeighbors(self, neighbor_lists: numpy.ndarray[dtype=int32]) → None

Sets neighbor lists from 2D array where first column is number of neighbors for corresponding row’s target site.

setReferenceOutwardNormalDirection(self, reference_normal_directions: numpy.ndarray[dtype=float64], use_to_orient_surface: bool = True) → None
setTangentBundle(self, tangent_bundle: numpy.ndarray[dtype=float64]) → None
setTargetSites(self, target_coordinates: numpy.ndarray[dtype=float64]) → None
setWindowSizes(self, window_sizes: numpy.ndarray[dtype=float64]) → None

pycompadre.ReconstructionSpace

class pycompadre.ReconstructionSpace(*values)

pycompadre.TargetOperation

class pycompadre.TargetOperation(*values)

pycompadre.WeightingFunctionType

class pycompadre.WeightingFunctionType(*values)

pycompadre.NeighborLists

class pycompadre.NeighborLists
computeMaxNumNeighbors(self) → None

Compute maximum number of neighbors over all neighborhoods.

computeMinNumNeighbors(self) → None

Compute minimum number of neighbors over all neighborhoods.

getMaxNumNeighbors(self) → int

Get maximum number of neighbors over all neighborhoods.

getMinNumNeighbors(self) → int

Get minimum number of neighbors over all neighborhoods.

getNeighbor(self, target index: int, local neighbor number: int) → int

Get neighbor index from target index and local neighbor number.

getNumberOfNeighbors(self, target index: int) → int

Get number of neighbors for target.

getNumberOfTargets(self) → int

Number of targets.

getTotalNeighborsOverAllLists(self) → int

Get total storage size of all neighbor lists combined.

pycompadre.Quadrature

class pycompadre.Quadrature(*args, **kwargs)
__init__(self, order_of_quadrature_points: int, dimension_of_quadrature_points: int, quadrature_type: str = 'LINE') → None
getDimensionOfQuadraturePoints(self) → int
getNumberOfQuadraturePoints(self) → int
getOrderOfQuadraturePoints(self) → int
getQuadratureType(self) → pycompadre._pycompadre.QuadratureType
getSites(self) → numpy.ndarray[dtype=float64]
getWeights(self) → numpy.ndarray[dtype=float64]
validQuadrature(self) → bool

Has quadrature been generated.

pycompadre.Kokkos

Namespace with a subset of Kokkos functionality. KokkosParser class should be preferred.