sas.qtgui.Perspectives.ParticleEditor.datamodel package

Submodules

sas.qtgui.Perspectives.ParticleEditor.datamodel.calculation module

class sas.qtgui.Perspectives.ParticleEditor.datamodel.calculation.AngularDistribution

Bases: ABC

Base class for angular distributions

abstract property n_points: int

Number of sample points

abstractmethod static name() → str

Name of this distribution

abstractmethod static parameters() → list[tuple[str, str, type]]

List of keyword arguments to constructor, names for GUI, and the type of value

abstractmethod sample_points_and_weights() → tuple[ndarray, ndarray]

Get sample q vector directions and associated weights

class sas.qtgui.Perspectives.ParticleEditor.datamodel.calculation.MagnetismDefinition(magnetism_function: MagnetismFunction, to_cartesian_conversion: CoordinateSystemTransform)

Bases: object

Definition of the magnetism vector fields

magnetism_function: MagnetismFunction

to_cartesian_conversion: CoordinateSystemTransform

class sas.qtgui.Perspectives.ParticleEditor.datamodel.calculation.ParticleDefinition(sld: SLDDefinition, magnetism: MagnetismDefinition | None)

Bases: object

Object containing the functions that define a particle

magnetism: MagnetismDefinition | None

sld: SLDDefinition

class sas.qtgui.Perspectives.ParticleEditor.datamodel.calculation.QSample(start, end, n_points, is_log)

Bases: object

Representation of Q Space sampling

class sas.qtgui.Perspectives.ParticleEditor.datamodel.calculation.QSpaceScattering(abscissa: sas.qtgui.Perspectives.ParticleEditor.datamodel.calculation.QSample, ordinate: numpy.ndarray, upper_error: numpy.ndarray | None = None, lower_error: numpy.ndarray | None = None)

Bases: object

abscissa: QSample

lower_error: ndarray | None = None

ordinate: ndarray

upper_error: ndarray | None = None

class sas.qtgui.Perspectives.ParticleEditor.datamodel.calculation.RealSpaceScattering(abscissa: numpy.ndarray, ordinate: numpy.ndarray)

Bases: object

abscissa: ndarray

ordinate: ndarray

class sas.qtgui.Perspectives.ParticleEditor.datamodel.calculation.SLDDefinition(sld_function: SLDFunction, to_cartesian_conversion: CoordinateSystemTransform)

Bases: object

Definition of the SLD scalar field

sld_function: SLDFunction

to_cartesian_conversion: CoordinateSystemTransform

class sas.qtgui.Perspectives.ParticleEditor.datamodel.calculation.SamplingDistribution(name: str, bin_edges: numpy.ndarray, counts: numpy.ndarray)

Bases: object

bin_edges: ndarray

counts: ndarray

name: str

class sas.qtgui.Perspectives.ParticleEditor.datamodel.calculation.ScatteringCalculation(q_sampling: QSample, angular_sampling: AngularDistribution, spatial_sampling_method: SpatialDistribution, particle_definition: ParticleDefinition, parameter_settings: CalculationParameters, polarisation_vector: ndarray | None, seed: int | None, bounding_surface_sld_check: bool, sample_chunk_size_hint: int = 100000)

Bases: object

Specification for a scattering calculation

angular_sampling: AngularDistribution

bin_count = 1000

bounding_surface_sld_check: bool

parameter_settings: CalculationParameters

particle_definition: ParticleDefinition

polarisation_vector: ndarray | None

q_sampling: QSample

sample_chunk_size_hint: int = 100000

seed: int | None

spatial_sampling_method: SpatialDistribution

class sas.qtgui.Perspectives.ParticleEditor.datamodel.calculation.ScatteringOutput(q_space: sas.qtgui.Perspectives.ParticleEditor.datamodel.calculation.QSpaceScattering | None, calculation_time: float, seed_used: int | None)

Bases: object

calculation_time: float

q_space: QSpaceScattering | None

seed_used: int | None

class sas.qtgui.Perspectives.ParticleEditor.datamodel.calculation.SpatialDistribution(radius: float, n_points: int, n_desired_points)

Bases: ABC

Base class for point generators

Batches need to be usable for bootstrapping, the run needs to be split into n_bootstrap sections, and the output saved for each section, so that it can be rebuilt in different combinations to establish a variance.

property allows_bootstrap: bool

bounding_surface_check_points() → tuple[ndarray, ndarray, ndarray]

abstractmethod generate(start_index: int, end_index: int) → tuple[ndarray, ndarray, ndarray]

Generate points from start_index up to end_index

property info: str

Information to be displayed in the settings window next to the point number input

sas.qtgui.Perspectives.ParticleEditor.datamodel.parameters module

class sas.qtgui.Perspectives.ParticleEditor.datamodel.parameters.Background

Bases: Parameter

Parameter representing the background intensity, always present

class sas.qtgui.Perspectives.ParticleEditor.datamodel.parameters.CalculationParameters(solvent_sld: float, background: float, scale: float, sld_parameters: dict, magnetism_parameters: dict)

Bases: NamedTuple

Object containing the parameters for a simulation

background: float

Alias for field number 1

magnetism_parameters: dict

Alias for field number 4

scale: float

Alias for field number 2

sld_parameters: dict

Alias for field number 3

solvent_sld: float

Alias for field number 0

class sas.qtgui.Perspectives.ParticleEditor.datamodel.parameters.FunctionParameter(name: str, value: float, in_use: bool, set_by: ValueSource)

Bases: Parameter

property in_use

is_function_parameter = True

class sas.qtgui.Perspectives.ParticleEditor.datamodel.parameters.MagnetismParameterContainer(parameter: FunctionParameter, linked: bool)

Bases: NamedTuple

Entry describing a magnetism parameter, keeps track of whether it should be linked to an SLD parameter

linked: bool

Alias for field number 1

parameter: FunctionParameter

Alias for field number 0

class sas.qtgui.Perspectives.ParticleEditor.datamodel.parameters.Parameter(name: str, value: float)

Bases: object

Base class for parameter descriptions

property in_use

is_function_parameter = False

class sas.qtgui.Perspectives.ParticleEditor.datamodel.parameters.Scale

Bases: Parameter

Parameter representing the scaling, always present

class sas.qtgui.Perspectives.ParticleEditor.datamodel.parameters.SolventSLD

Bases: Parameter

Parameter representing the solvent SLD, always present

class sas.qtgui.Perspectives.ParticleEditor.datamodel.parameters.ValueSource(*values)

Bases: Enum

Item that decribes where the current parameter came from

CODE = 1

DEFAULT = 0

FIT = 3

MANUAL = 2

sas.qtgui.Perspectives.ParticleEditor.datamodel.types module

class sas.qtgui.Perspectives.ParticleEditor.datamodel.types.CoordinateSystemTransform(*args, **kwargs)

Bases: Protocol

Type of functions that can represent a coordinate transform

class sas.qtgui.Perspectives.ParticleEditor.datamodel.types.MagnetismFunction(*args, **kwargs)

Bases: Protocol

Type of functions that can represent magnetism profiles

class sas.qtgui.Perspectives.ParticleEditor.datamodel.types.SLDFunction(*args, **kwargs)

Bases: Protocol

Type of functions that can represent SLD profiles

Module contents