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VesuvioProfileTest.py
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VesuvioProfileTest.py
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# Mantid Repository : https://github.com/mantidproject/mantid
#
# Copyright © 2018 ISIS Rutherford Appleton Laboratory UKRI,
# NScD Oak Ridge National Laboratory, European Spallation Source,
# Institut Laue - Langevin & CSNS, Institute of High Energy Physics, CAS
# SPDX - License - Identifier: GPL - 3.0 +
import unittest
from vesuvio.profiles import (create_from_str, GaussianMassProfile,
MultivariateGaussianMassProfile,
GramCharlierMassProfile)
# --------------------------------------------------------------------------------
# Gaussian
# --------------------------------------------------------------------------------
class GaussianMassProfileTest(unittest.TestCase):
# ---------------- Success cases ---------------------------
def test_string_with_fixed_width_produces_valid_object(self):
function_str = "function=Gaussian,width=10"
mass = 16.0
profile = create_from_str(function_str, mass)
self.assertTrue(isinstance(profile, GaussianMassProfile))
self.assertAlmostEqual(mass, profile.mass)
self.assertAlmostEqual(10.0, profile.width)
def test_string_with_constrained_width_produces_valid_object(self):
function_str = "function=Gaussian,width=[2, 5, 7]"
mass = 16.0
profile = create_from_str(function_str, mass)
self.assertTrue(isinstance(profile, GaussianMassProfile))
self.assertAlmostEqual(mass, profile.mass)
self.assertEqual([2, 5, 7], profile.width)
def test_function_string_has_expected_form_with_no_defaults(self):
test_profiles = GaussianMassProfile(10, 16)
expected = "name=GaussianComptonProfile,Mass=16.000000,Width=10.000000;"
self.assertEqual(expected, test_profiles.create_fit_function_str())
def test_function_string_has_expected_form_with_defaults_given(self):
test_profiles = GaussianMassProfile(10, 16)
param_prefix = "f1."
param_vals = {"f1.Width": 11.0, "f1.Intensity": 4.5}
expected = "name=GaussianComptonProfile,Mass=16.000000,Width=11.000000,Intensity=4.500000;"
self.assertEqual(expected, test_profiles.create_fit_function_str(param_vals, param_prefix))
def test_constraint_str_is_only_intensity_for_fixed_width(self):
test_profile = GaussianMassProfile(10, 16)
self.assertEqual("Intensity > 0.0", test_profile.create_constraint_str())
def test_constraint_str_for_constrained_width(self):
test_profile = GaussianMassProfile([2, 5, 7], 16)
self.assertEqual("2.000000 < Width < 7.000000,Intensity > 0.0", test_profile.create_constraint_str())
# and with prefix
self.assertEqual("2.000000 < f0.Width < 7.000000,f0.Intensity > 0.0", test_profile.create_constraint_str("f0."))
def test_ties_str_for_fixed_width(self):
test_profile = GaussianMassProfile(10, 16)
self.assertEqual("Mass=16.000000,Width=10.000000", test_profile.create_ties_str())
def test_ties_str_for_constrained_width_contains_only_mass(self):
test_profile = GaussianMassProfile([2, 5, 7], 16)
self.assertEqual("Mass=16.000000", test_profile.create_ties_str())
# and with prefix
self.assertEqual("f0.Mass=16.000000", test_profile.create_ties_str("f0."))
# ---------------- Failure cases ---------------------------
def test_string_not_starting_with_function_equals_name_gives_error(self):
function_str = "function=Gaussia,width=[2, 5, 7]"
mass = 16.0
self.assertRaises(TypeError, GaussianMassProfile.from_str,
function_str, mass)
def test_string_not_starting_with_function_gives_error(self):
function_str = "Gaussian,width=[2, 5, 7]"
mass = 16.0
self.assertRaises(TypeError, GaussianMassProfile.from_str,
function_str, mass)
def test_string_with_wrong_function_gives_error(self):
function_str = "function=GramCharlier,width=[2, 5, 7]"
mass = 16.0
self.assertRaises(TypeError, GaussianMassProfile.from_str,
function_str, mass)
# --------------------------------------------------------------------------------
# Multivariate Gaussian
# --------------------------------------------------------------------------------
class MultivariateGaussianMassProfileTest(unittest.TestCase):
# ---------------- Success cases ---------------------------
def test_function_string_has_expected_form_with_no_defaults(self):
test_profiles = MultivariateGaussianMassProfile(None, 16)
expected = "name=MultivariateGaussianComptonProfile,IntegrationSteps=64,Mass=16.000000,SigmaX=1.000000," \
"SigmaY=1.000000,SigmaZ=1.000000;"
self.assertEqual(expected, test_profiles.create_fit_function_str())
def test_function_string_has_expected_form_with_defaults_given(self):
test_profiles = MultivariateGaussianMassProfile(None, 16)
param_prefix = "f1."
param_vals = {
"f1.SigmaX": 5.0,
"f1.SigmaY": 8.0,
"f1.SigmaZ": 6.0,
"f1.Intensity": 4.5}
expected = "name=MultivariateGaussianComptonProfile,IntegrationSteps=64,Mass=16.000000,SigmaX=5.000000," \
"SigmaY=8.000000,SigmaZ=6.000000,Intensity=4.500000;"
self.assertEqual(expected, test_profiles.create_fit_function_str(param_vals, param_prefix))
def test_function_string_integration_steps(self):
test_profiles = MultivariateGaussianMassProfile(None, 16)
test_profiles.integration_steps = 256
expected = "name=MultivariateGaussianComptonProfile,IntegrationSteps=256,Mass=16.000000,SigmaX=1.000000," \
"SigmaY=1.000000,SigmaZ=1.000000;"
self.assertEqual(expected, test_profiles.create_fit_function_str())
def test_constraint_str(self):
test_profile = MultivariateGaussianMassProfile(None, 16)
self.assertEqual("Intensity > 0.0,SigmaX > 0.0,SigmaY > 0.0,SigmaZ > 0.0", test_profile.create_constraint_str())
def test_ties_str_for_fixed_width(self):
test_profile = MultivariateGaussianMassProfile(None, 16)
self.assertEqual("Mass=16.000000", test_profile.create_ties_str())
# ---------------- Failure cases ---------------------------
def test_string_not_starting_with_function_equals_name_gives_error(self):
function_str = "functipn=MultivariateGaussia,SigmaX=1.0,SigmaY=1.0,SigmaZ=1.0"
mass = 16.0
self.assertRaises(TypeError, MultivariateGaussianMassProfile.from_str,
function_str, mass)
def test_string_not_starting_with_function_gives_error(self):
function_str = "MultivariateGaussian,SigmaX=1.0,SigmaY=1.0,SigmaZ=1.0"
mass = 16.0
self.assertRaises(TypeError, MultivariateGaussianMassProfile.from_str,
function_str, mass)
def test_string_with_wrong_function_gives_error(self):
function_str = "function=Gaussian,width=[2, 5, 7]"
mass = 16.0
self.assertRaises(TypeError, MultivariateGaussianMassProfile.from_str,
function_str, mass)
# --------------------------------------------------------------------------------
# GramCharlier
# --------------------------------------------------------------------------------
class GramCharlierMassProfileTest(unittest.TestCase):
def test_string_with_fixed_width_produces_valid_object(self):
function_str = "function=GramCharlier,width=[2, 5,7],k_free=1,hermite_coeffs=[1,0,1],sears_flag=0,"
mass = 16.0
profile = create_from_str(function_str, mass)
self.assertTrue(isinstance(profile, GramCharlierMassProfile))
self.assertAlmostEqual(mass, profile.mass)
self.assertEqual([2, 5, 7], profile.width)
self.assertEqual([1, 0, 1], profile.hermite_co)
self.assertEqual(0, profile.sears_flag)
self.assertEqual(1, profile.k_free)
def test_function_string_has_expected_form_with_no_defaults(self):
test_profile = GramCharlierMassProfile(10, 16, [1, 0, 1], 1, 1)
expected = "name=GramCharlierComptonProfile,Mass=16.000000,HermiteCoeffs=1 0 1,Width=10.000000;"
self.assertEqual(expected, test_profile.create_fit_function_str())
def test_function_string_has_expected_form_with_given_values(self):
test_profile = GramCharlierMassProfile(10, 16, [1, 0, 1], 1, 1)
param_prefix = "f1."
param_vals = {"f1.Width": 11.0, "f1.FSECoeff": 0.1, "f1.C_0": 0.25,
"f1.C_2": 0.5, "f1.C_4": 0.75}
expected = "name=GramCharlierComptonProfile,Mass=16.000000,HermiteCoeffs=1 0 1," \
"Width=11.000000,FSECoeff=0.100000,C_0=0.250000,C_4=0.750000;"
self.assertEqual(expected, test_profile.create_fit_function_str(param_vals, param_prefix))
def test_constraint_str_for_fixed_width(self):
test_profile = GramCharlierMassProfile(10, 16, [1, 0, 1], k_free=1, sears_flag=1)
expected = "C_0 > 0.0,C_4 > 0.0"
self.assertEqual(expected, test_profile.create_constraint_str())
def test_constraint_str_for_constrained_width(self):
test_profile = GramCharlierMassProfile([2, 5, 7], 16, [1, 0, 1], k_free=1, sears_flag=1)
expected = "2.000000 < Width < 7.000000,C_0 > 0.0,C_4 > 0.0"
self.assertEqual(expected, test_profile.create_constraint_str())
prefix = "f0."
expected = "2.000000 < f0.Width < 7.000000,f0.C_0 > 0.0,f0.C_4 > 0.0"
self.assertEqual(expected, test_profile.create_constraint_str(prefix))
def test_ties_str_for_constrained_width_and_k_is_free_is_empty(self):
test_profile = GramCharlierMassProfile([2, 5, 7], 16, [1, 0, 1], k_free=1, sears_flag=1)
expected = "Mass=16.000000"
self.assertEqual(expected, test_profile.create_ties_str())
def test_ties_str_for_constrained_width(self):
# k is free
test_profile = GramCharlierMassProfile([2, 5, 7], 16, [1, 0, 1], k_free=1, sears_flag=1)
expected = "Mass=16.000000"
self.assertEqual(expected, test_profile.create_ties_str())
# k is tied, sears=0
test_profile = GramCharlierMassProfile([2, 5, 7], 16, [1, 0, 1], k_free=0, sears_flag=0)
expected = "f0.Mass=16.000000,f0.FSECoeff=0"
self.assertEqual(expected, test_profile.create_ties_str("f0."))
# k is tied, sears=1
test_profile = GramCharlierMassProfile([2, 5, 7], 16, [1, 0, 1], k_free=0, sears_flag=1)
expected = "f0.Mass=16.000000,f0.FSECoeff=f0.Width*sqrt(2)/12"
self.assertEqual(expected, test_profile.create_ties_str("f0."))
def test_ties_str_for_fixed_width(self):
test_profile = GramCharlierMassProfile(5, 16, [1, 0, 1], k_free=1, sears_flag=1)
expected = "Mass=16.000000,Width=5.000000"
self.assertEqual(expected, test_profile.create_ties_str())
# k is tied, sears=0
test_profile = GramCharlierMassProfile(5, 16, [1, 0, 1], k_free=0, sears_flag=0)
expected = "f0.Mass=16.000000,f0.Width=5.000000,f0.FSECoeff=0"
self.assertEqual(expected, test_profile.create_ties_str("f0."))
# k is tied, sears=1
test_profile = GramCharlierMassProfile(5, 16, [1, 0, 1], k_free=0, sears_flag=1)
expected = "f0.Mass=16.000000,f0.Width=5.000000,f0.FSECoeff=f0.Width*sqrt(2)/12"
self.assertEqual(expected, test_profile.create_ties_str("f0."))
# ---------------- Failure cases ---------------------------
def test_string_not_starting_with_function_equals_name_gives_error(self):
function_str = "function=GramCharlie,width=[2, 5, 7]"
mass = 16.0
self.assertRaises(TypeError, GramCharlierMassProfile.from_str,
function_str, mass)
def test_string_not_starting_with_function_gives_error(self):
function_str = "GramCharlie,width=[2, 5, 7]"
mass = 16.0
self.assertRaises(TypeError, GramCharlierMassProfile.from_str,
function_str, mass)
def test_string_with_wrong_function_gives_error(self):
function_str = "function=Gaussian,width=[2, 5, 7]"
mass = 16.0
self.assertRaises(TypeError, GramCharlierMassProfile.from_str,
function_str, mass)
if __name__ == '__main__':
unittest.main()