Update tests to match new ref1d

EasyScience · Jan 7, 2025 · aeebf5d · aeebf5d
1 parent ca05ac0
commit aeebf5d
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Showing 5 changed files with 18 additions and 17 deletions.
diff --git a/pyproject.toml b/pyproject.toml
@@ -32,7 +32,7 @@ dependencies = [
     "easyscience>=1.2.0",
     "scipp>=23.12.0",
     "refnx>=0.1.15",
-    "refl1d>=0.8.14",
+    "refl1d",
     "orsopy>=0.0.4",
     "pint==0.23", # Only to ensure that unit is reported as dimensionless rather than empty string
     "xhtml2pdf>=0.2.16"

diff --git a/tests/sample/assemblies/test_surfactant_layer.py b/tests/sample/assemblies/test_surfactant_layer.py
@@ -101,6 +101,7 @@ def test_constain_solvent_roughness(self):
 
     def test_dict_repr(self):
         p = SurfactantLayer()
+
         assert p._dict_repr == {
             'EasySurfactantLayer': {
                 'head_layer': {
@@ -125,9 +126,9 @@ def test_dict_repr(self):
                         'material': {
                             'C32D64 in Air': {
                                 'solvent_fraction': '0.000 dimensionless',
-                                'sld': '8.297e-6 1/Å^2',
+                                'sld': '8.292e-6 1/Å^2',
                                 'isld': '0.000e-6 1/Å^2',
-                                'material': {'C32D64': {'sld': '8.297e-6 1/Å^2', 'isld': '0.000e-6 1/Å^2'}},
+                                'material': {'C32D64': {'sld': '8.292e-6 1/Å^2', 'isld': '0.000e-6 1/Å^2'}},
                                 'solvent': {'Air': {'sld': '0.000e-6 1/Å^2', 'isld': '0.000e-6 1/Å^2'}},
                             }
                         },

diff --git a/tests/sample/elements/layers/test_layer_area_per_molecule.py b/tests/sample/elements/layers/test_layer_area_per_molecule.py
@@ -24,7 +24,7 @@ def test_default(self):
         assert p.roughness.value == 3.3
         assert str(p.roughness.unit) == 'Å'
         assert p.roughness.fixed is True
-        assert_almost_equal(p.material.sld, 2.2691419)
+        assert_almost_equal(p.material.sld, 2.268770124481328)
         assert_almost_equal(p.material.isld, 0)
         assert p.material.name == 'C10H18NO8P in D2O'
         assert p.solvent.sld.value == 6.36
@@ -66,18 +66,18 @@ def test_from_pars_constraint(self):
         )
         assert p.molecular_formula == 'C8O10H12P'
         assert p.area_per_molecule == 50
-        assert_almost_equal(p.material.sld, 0.31513666667)
+        assert_almost_equal(p.material.sld, 0.31494833333333333)
         assert p.thickness.value == 12
         assert p.roughness.value == 2
         assert p.solvent.sld.value == -0.561
         assert p.solvent.isld.value == 0
         assert p.solvent_fraction == 0.5
         p.area_per_molecule = 30
         assert p.area_per_molecule == 30
-        assert_almost_equal(p.material.sld, 0.712227778)
+        assert_almost_equal(p.material.sld, 0.7119138888888887)
         p.thickness.value = 10
         assert p.thickness.value == 10
-        assert_almost_equal(p.material.sld, 0.910773333)
+        assert_almost_equal(p.material.sld, 0.9103966666666665)
 
     def test_solvent_change(self):
         h2o = Material(-0.561, 0, 'H2O')
@@ -93,7 +93,7 @@ def test_solvent_change(self):
         assert p.molecular_formula == 'C8O10H12P'
         assert p.area_per_molecule == 50
         print(p.material)
-        assert_almost_equal(p.material.sld, 0.31513666667)
+        assert_almost_equal(p.material.sld,  0.31494833333333333)
         assert p.thickness.value == 12
         assert p.roughness.value == 2
         assert p.solvent.sld.value == -0.561
@@ -103,7 +103,7 @@ def test_solvent_change(self):
         p.solvent = d2o
         assert p.molecular_formula == 'C8O10H12P'
         assert p.area_per_molecule == 50
-        assert_almost_equal(p.material.sld, 3.7631366667)
+        assert_almost_equal(p.material.sld, 3.762948333333333)
         assert p.thickness.value == 12
         assert p.roughness.value == 2
         assert p.solvent.sld.value == 6.335
@@ -123,7 +123,7 @@ def test_molecular_formula_change(self):
         )
         assert p.molecular_formula == 'C8O10H12P'
         assert p.area_per_molecule == 50
-        assert_almost_equal(p.material.sld, 0.31513666667)
+        assert_almost_equal(p.material.sld, 0.31494833333333333)
         assert p.thickness.value == 12
         assert p.roughness.value == 2
 
@@ -134,7 +134,7 @@ def test_molecular_formula_change(self):
         p.molecular_formula = 'C8O10D12P'
         assert p.molecular_formula == 'C8O10D12P'
         assert p.area_per_molecule == 50
-        assert_almost_equal(p.material.sld, 1.3566266666666666)
+        assert_almost_equal(p.material.sld, 1.3558483333333333)
         assert p.thickness.value == 12
         assert p.roughness.value == 2
         assert p.solvent.sld.value == -0.561

diff --git a/tests/sample/elements/materials/test_material_density.py b/tests/sample/elements/materials/test_material_density.py
@@ -22,25 +22,25 @@ def test_default(self):
     def test_default_constraint(self):
         p = MaterialDensity()
         assert p.density.value == 2.33
-        assert_almost_equal(p.sld.value, 2.073705382)
+        assert_almost_equal(p.sld.value, 2.0737423003838087)
         p.density.value = 2
-        assert_almost_equal(p.sld.value, 1.780004619)
+        assert_almost_equal(p.sld.value, 1.7800363093423253)
 
     def test_from_pars(self):
         p = MaterialDensity('Co', 8.9, 'Cobalt')
         assert p.density.value == 8.9
-        assert_almost_equal(p.sld.value, 2.2645412328256)
+        assert_almost_equal(p.sld.value,2.264541463379026)
         assert p.chemical_structure == 'Co'
 
     def test_chemical_structure_change(self):
         p = MaterialDensity('Co', 8.9, 'Cobolt')
         assert p.density.value == 8.9
-        assert_almost_equal(p.sld.value, 2.2645412328256)
+        assert_almost_equal(p.sld.value, 2.264541463379026)
         assert_almost_equal(p.isld.value, 0.0)
         assert p.chemical_structure == 'Co'
         p.chemical_structure = 'B'
         assert p.density.value == 8.9
-        assert_almost_equal(p.sld.value, 4.820107844970)
+        assert_almost_equal(p.sld.value, 4.82010833570636)
         assert_almost_equal(p.isld.value, -0.19098540517806603)
         assert p.chemical_structure == 'B'
 

diff --git a/tests/special/test_calculations.py b/tests/special/test_calculations.py
@@ -27,7 +27,7 @@ def test_neutron_scattering_length_B(self) -> None:
 
     def test_molecular_weight(self) -> None:
         a = molecular_weight('H2O')
-        assert_almost_equal(a, 18.01528)
+        assert_almost_equal(a, 18.015)
 
     def test_area_per_molecule_to_sld(self) -> None:
         a = area_per_molecule_to_scattering_length_density(2, 1, 0.5)