glassure package

Submodules

• glassure.configuration module
  • CalculationConfig
    • CalculationConfig.optimize
    • CalculationConfig.sample
    • CalculationConfig.transform
  • DataConfig
    • DataConfig.bkg
    • DataConfig.bkg_scaling
    • DataConfig.data
  • ExtrapolationConfig
    • ExtrapolationConfig.method
    • ExtrapolationConfig.overlap
    • ExtrapolationConfig.replace
    • ExtrapolationConfig.s0
  • FitNormalization
    • FitNormalization.TYPE
    • FitNormalization.container_scattering
    • FitNormalization.incoherent_scattering
    • FitNormalization.method
    • FitNormalization.multiple_scattering
    • FitNormalization.q_cutoff
  • IntNormalization
    • IntNormalization.TYPE
    • IntNormalization.attenuation_factor
    • IntNormalization.incoherent_scattering
  • OptimizeConfig
    • OptimizeConfig.iterations
    • OptimizeConfig.r_cutoff
    • OptimizeConfig.use_modification_fcn
  • Result
    • Result.calculation_config
    • Result.fr
    • Result.gr
    • Result.sq
  • SampleConfig
    • SampleConfig.composition
    • SampleConfig.density
    • SampleConfig.atomic_density
  • TransformConfig
    • TransformConfig.extrapolation
    • TransformConfig.fourier_transform_method
    • TransformConfig.kn_correction
    • TransformConfig.normalization
    • TransformConfig.q_max
    • TransformConfig.q_min
    • TransformConfig.r_max
    • TransformConfig.r_min
    • TransformConfig.r_step
    • TransformConfig.scattering_factor_source
    • TransformConfig.use_modification_fcn
    • TransformConfig.wavelength
• glassure.pattern module
  • BkgNotInRangeError
  • Pattern
    • Pattern.data
    • Pattern.extend_to()
    • Pattern.from_dict()
    • Pattern.from_file()
    • Pattern.limit()
    • Pattern.load()
    • Pattern.name
    • Pattern.rebin()
    • Pattern.save()
    • Pattern.smooth()
    • Pattern.to_dict()
    • Pattern.x
    • Pattern.y
  • serialize()
  • validate()
• glassure.transform module
  • calculate_fr()
  • calculate_gr()
  • calculate_sq()
  • calculate_sq_from_fr()
  • calculate_sq_from_gr()
• glassure.methods module
  • ExtrapolationMethod
    • ExtrapolationMethod.LINEAR
    • ExtrapolationMethod.POLY
    • ExtrapolationMethod.SPLINE
    • ExtrapolationMethod.STEP
  • FourierTransformMethod
    • FourierTransformMethod.FFT
    • FourierTransformMethod.INTEGRAL
  • NormalizationFitScaling
    • NormalizationFitScaling.LINEAR
    • NormalizationFitScaling.QUADRATIC
  • NormalizationMethod
    • NormalizationMethod.FIT
    • NormalizationMethod.INTEGRAL
  • ScatteringFactorSource
    • ScatteringFactorSource.BROWN_HUBBELL
    • ScatteringFactorSource.HAJDU
• glassure.utility module
  • calculate_f_mean_squared()
  • calculate_f_squared_mean()
  • calculate_incoherent_scattering()
  • calculate_s0()
  • calculate_weighting_factor()
  • convert_density_to_atoms_per_cubic_angstrom()
  • convert_two_theta_to_q_space()
  • convert_two_theta_to_q_space_raw()
  • extrapolate_to_zero_linear()
  • extrapolate_to_zero_poly()
  • extrapolate_to_zero_spline()
  • extrapolate_to_zero_step()
  • normalize_composition()
• glassure.optimization module
  • optimize_density()
  • optimize_sq()
• glassure.calc module
  • calculate_pdf()
  • create_calculate_pdf_configs()
  • validate_input()
• glassure.fitting module
  • i_q_peak()
  • t_r_peak()
• glassure.scattering_factors module
  • ElementNotImplementedException
  • ScatteringFactorCalculatorBrownHubbell
    • ScatteringFactorCalculatorBrownHubbell.elements
    • ScatteringFactorCalculatorBrownHubbell.get_coherent_scattering_factor()
    • ScatteringFactorCalculatorBrownHubbell.get_incoherent_intensity()
  • ScatteringFactorCalculatorHajdu
    • ScatteringFactorCalculatorHajdu.elements
    • ScatteringFactorCalculatorHajdu.get_coherent_scattering_factor()
    • ScatteringFactorCalculatorHajdu.get_incoherent_intensity()
  • ScatteringFactorCalculatorXraylib
    • ScatteringFactorCalculatorXraylib.elements
    • ScatteringFactorCalculatorXraylib.get_coherent_scattering_factor()
    • ScatteringFactorCalculatorXraylib.get_incoherent_intensity()
  • SourceNotImplementedException
  • calculate_coherent_scattering_factor()
  • calculate_incoherent_scattered_intensity()
  • get_available_elements()
  • get_calculator()
• glassure.transfer_function module
  • calculate_transfer_function()
• glassure.soller_correction module
  • Map
  • SollerCorrection
    • SollerCorrection.calculate_dispersion_angle_map()
    • SollerCorrection.transfer_function_dac()
    • SollerCorrection.transfer_function_from_region()
    • SollerCorrection.transfer_function_sample()
  • SollerCorrectionGui
  • calculate_angles()
  • calculate_rectangular_side_points()
  • calculate_x_axis_intercept()
  • calculate_y_axis_intercept()
  • vector_length()

Module contents