pleiades.sammy.fitting.options module
This module defines the FitOptions class for configuring SAMMY fits.
SAMMY is a nuclear physics code that requires different configuration options. The FitOptions class encapsulates these options and provides factory methods for different modes of operation.
- class pleiades.sammy.fitting.options.FitOptions(*, r_matrix: RMatrixOptions = <factory>, quantum_numbers: QuantumNumbersOptions = <factory>, experimental_data: ExperimentalDataInputOptions = <factory>, broadening: BroadeningOptions = <factory>, endf: ENDFOptions = <factory>, bayes_solution: BayesSolutionOptions = <factory>, lpt_output: LPTOutputOptions = <factory>, angular_distribution: AngularDistributionOptions | None = None, averages: AveragesOptions | None = None, data_covariance: CovarianceMatrixOptions | None = None, p_covariance_in: CovarianceMatrixOptions | None = None, p_covariance_out: CovarianceMatrixOutputOptions | None = None, multiple_scattering: MultipleScatteringCorrectionsOptions | None = None, cross_section: CrossSectionOptions | None = None, physical_constants: PhysicalConstantsOptions | None = None, plot_file: PlotFileOptions | None = None, special_analysis: SpecialAnalysisOptions | None = None, urr: URROptions | None = None)[source]
Bases:
BaseModelContainer for all fit options with SAMMY based on alphanumerics modules.
This class uses the actual alphanumerics classes that implement validation, mutual exclusivity enforcement, and command generation.
- r_matrix
Options for the R-matrix formalism
- quantum_numbers
Options for spin group and quantum numbers
- experimental_data
Options for data format
- broadening
Options for broadening calculations
- endf
Options for ENDF file usage
- bayes_solution
Options for Bayes fitting
- lpt_output
Options for LPT file output
- angular_distribution
Options for angular distributions
- averages
Options for energy averages
- data_covariance
Options for data covariance
- p_covariance_in
Options for parameter covariance input
- p_covariance_out
Options for parameter covariance output
- multiple_scattering
Options for multiple scattering corrections
- cross_section
Options for cross section calculations
- physical_constants
Options for physical constants
- plot_file
Options for plot file generation
- special_analysis
Options for special analysis
- urr
Options for unresolved resonance region
- Type:
- r_matrix: RMatrixOptions
- quantum_numbers: QuantumNumbersOptions
- experimental_data: ExperimentalDataInputOptions
- broadening: BroadeningOptions
- endf: ENDFOptions
- bayes_solution: BayesSolutionOptions
- lpt_output: LPTOutputOptions
- angular_distribution: AngularDistributionOptions | None
- averages: AveragesOptions | None
- data_covariance: CovarianceMatrixOptions | None
- p_covariance_in: CovarianceMatrixOptions | None
- p_covariance_out: CovarianceMatrixOutputOptions | None
- multiple_scattering: MultipleScatteringCorrectionsOptions | None
- cross_section: CrossSectionOptions | None
- physical_constants: PhysicalConstantsOptions | None
- plot_file: PlotFileOptions | None
- special_analysis: SpecialAnalysisOptions | None
- urr: URROptions | None
- get_alphanumeric_commands() List[str][source]
Generate all SAMMY alphanumeric commands from constituent options.
- Returns:
List of all alphanumeric commands for SAMMY INP file
- Return type:
List[str]
- classmethod from_endf_config() FitOptions[source]
Create a FitOptions instance configured for ENDF extraction.
ENDF mode is used for extracting resonance information from ENDF files without Bayesian fitting.
Mandatory fields: - UID 12: PUT QUANTUM NUMBERS into parameter file - UID 15: INPUT IS ENDF/B FILE 2 - UID 37: DATA ARE ENDF/B FILE - UID 103: DO NOT SOLVE BAYES Equations
Optional field: - UID 16: USE ENERGY RANGE FROm endf/b file 2
- Returns:
Instance configured for ENDF extraction
- Return type:
- classmethod from_fitting_config() FitOptions[source]
Create a FitOptions instance configured for Bayesian fitting.
Fitting mode is used for customized Bayesian fitting of nuclear data.
Mandatory fields: - UID 2: REICH-MOORE FORMALISm is wanted - UID 10: KEY-WORD PARTICLE-PAir definitions are given - UID 11: QUANTUM NUMBERS ARE in parameter file - UID 34: USE TWENTY SIGNIFICAnt digits - UID 61: BROADENING IS NOT WAnted (or 60 is wanted) - UID 102: SOLVE BAYES EQUATIONs - UID 133: CHI SQUARED IS WANTEd
Optional fields depend on specific use case.
- Returns:
Instance configured for Bayesian fitting
- Return type:
- classmethod from_multi_isotope_config() FitOptions[source]
Create a FitOptions instance configured for multi-isotope JSON mode fitting.
Multi-isotope mode combines ENDF extraction and Bayesian fitting in a single step using JSON configuration files for multiple isotopes.
Key features for multi-isotope mode (following SAMMY expert recommendations): - REICH-MOORE FORMALISM IS WANTED - USE NEW SPIN GROUP Format - USE TWENTY SIGNIFICANT DIGITS - BROADENING IS WANTED - INPUT IS ENDF/B FILE 2 - SOLVE BAYES EQUATIONS - CHI SQUARED IS WANTED
Note: Removed unnecessary alphanumerics per expert recommendation to avoid undocumented cross-firing between alphanumeric commands in SAMMY.
- Returns:
Instance configured for multi-isotope JSON mode fitting
- Return type:
- classmethod from_custom_config(**kwargs) FitOptions[source]
Create a FitOptions instance with custom settings.
Custom mode is for advanced users who need granular control over all options.
- Parameters:
**kwargs – Keyword arguments for specific alphanumerics options
- Returns:
Instance with custom configuration
- Return type:
- model_config = {}
Configuration for the model, should be a dictionary conforming to [ConfigDict][pydantic.config.ConfigDict].