diff --git a/scripts/Diffraction/isis_powder/routines/sample_details.py b/scripts/Diffraction/isis_powder/routines/sample_details.py
index 0bce02dd8e6afa92e69b47cdac285a0f71e1c03f..74449c7e58ec8018a465df2d454cdedb6db3068c 100644
--- a/scripts/Diffraction/isis_powder/routines/sample_details.py
+++ b/scripts/Diffraction/isis_powder/routines/sample_details.py
@@ -91,6 +91,9 @@ class SampleDetails(object):
if len(center) != 3:
raise ValueError("The center must have three values corresponding to X, Y, Z position of the sample."
" For example [0. ,1., 2.]")
+ for val in center:
+ _check_can_convert_to_float(property_name="center", value=val)
+
# All properties validated at this point
@@ -153,16 +156,21 @@ class _Material(object):
def _check_value_is_physical(property_name, value):
original_value = value
- value = convert_to_float(value)
- if value is None:
- raise ValueError("Could not convert the " + property_name + " to a number."
- " The input was: '" + str(original_value) + "'")
+ value = _check_can_convert_to_float(property_name=property_name, value=value)
if value <= 0 or math.isnan(value):
raise ValueError("The value set for " + property_name + " was: " + str(original_value)
+ " which is impossible for a physical object")
+def _check_can_convert_to_float(property_name, value):
+ original_value = value
+ value = convert_to_float(value)
+ if value is None:
+ raise ValueError("Could not convert the " + property_name + " to a number."
+ " The input was: '" + str(original_value) + "'")
+ return value
+
def convert_to_float(val):
try:
val = float(val)
diff --git a/scripts/test/ISISPowderSampleDetailsTest.py b/scripts/test/ISISPowderSampleDetailsTest.py
index a4fb928496bc1d4ebba704d25c28141047924dba..ccdb6d518aeca02be3a3efaef6d0d721d3cc052c 100644
--- a/scripts/test/ISISPowderSampleDetailsTest.py
+++ b/scripts/test/ISISPowderSampleDetailsTest.py
@@ -44,7 +44,7 @@ class ISISPowderSampleDetailsTest(unittest.TestCase):
self.assertEqual(sample_details_obj_str.radius, float(height_radius_string))
self.assertEqual(sample_details_obj_str.center, [2.0, 3.0, 5.0])
- def test_constructor_non_numeric_input(self):
+ def test_constructor_non_number_input(self):
good_input = 1.0
good_center_input = [1.0, 2.0, 3.0]
empty_input_value = ''
@@ -102,11 +102,6 @@ class ISISPowderSampleDetailsTest(unittest.TestCase):
with assertRaisesRegex(self, ValueError, "The value set for radius was: -1"):
sample_details.SampleDetails(height=good_input, radius=negative_string, center=good_center_input)
- # Test center lists correctly detect incorrect values
- with assertRaisesRegex(self, ValueError, "The value set for center was: 0"):
- sample_details.SampleDetails(height=good_input, radius=good_input,
- center=[zero_value, good_input, good_input])
-
def test_set_material(self):
sample_details_obj = sample_details.SampleDetails(height=1.0, radius=1.0, center=[2, 3, 4])
@@ -156,22 +151,22 @@ class ISISPowderSampleDetailsTest(unittest.TestCase):
self.assertIsNone(material_obj_one_char.scattering_cross_section)
self.assertFalse(material_obj_one_char._is_material_props_set)
- # Check if it accepts two character elements without numeric density
+ # Check if it accepts two character elements without number density
material_obj_two_char = sample_details._Material(chemical_formula=chemical_formula_two_char_element)
self.assertIsNotNone(material_obj_two_char)
self.assertEqual(material_obj_two_char.chemical_formula, chemical_formula_two_char_element)
self.assertIsNone(material_obj_two_char.number_density)
- # Check it stores numeric density if passed
+ # Check it stores number density if passed
material_obj_number_density = sample_details._Material(chemical_formula=chemical_formula_two_char_element,
- number_density=number_density_sample)
+ number_density=number_density_sample)
self.assertEqual(material_obj_number_density.number_density, number_density_sample)
- # Check that it raises an error if we have a non-elemental formula without numeric density
- with assertRaisesRegex(self, ValueError, "A numeric density formula must be set on a chemical formula"):
+ # Check that it raises an error if we have a non-elemental formula without number density
+ with assertRaisesRegex(self, ValueError, "A number density formula must be set on a chemical formula"):
sample_details._Material(chemical_formula=chemical_formula_complex)
- # Check it constructs if it is given the numeric density too
+ # Check it constructs if it is given the number density too
material_obj_num_complex_formula = sample_details._Material(chemical_formula=chemical_formula_complex,
number_density=number_density_sample)
self.assertEqual(material_obj_num_complex_formula.chemical_formula, chemical_formula_complex)
@@ -234,23 +229,23 @@ class ISISPowderSampleDetailsTest(unittest.TestCase):
assertRegex(self, captured_std_out_default, "Center X:" + str(float(expected_center[0])))
assertRegex(self, captured_std_out_default, "Material has not been set")
- # Test with material set but not numeric density
+ # Test with material set but not number density
sys.stdout = std_out_buffer = io.BytesIO()
sample_details_obj.set_material(chemical_formula=chemical_formula)
sample_details_obj.print_sample_details()
captured_std_out_material_default = std_out_buffer.getvalue()
assertRegex(self, captured_std_out_material_default, "Material properties:")
assertRegex(self, captured_std_out_material_default, "Chemical formula: " + chemical_formula)
- assertRegex(self, captured_std_out_material_default, "Numeric Density: Set from elemental properties")
+ assertRegex(self, captured_std_out_material_default, "Number Density: Set from elemental properties")
- # Test with material and numeric density
+ # Test with material and number density
sys.stdout = std_out_buffer = io.BytesIO()
sample_details_obj.reset_sample_material()
sample_details_obj.set_material(chemical_formula=chemical_formula_two, number_density=expected_number_density)
sample_details_obj.print_sample_details()
captured_std_out_material_set = std_out_buffer.getvalue()
assertRegex(self, captured_std_out_material_set, "Chemical formula: " + chemical_formula_two)
- assertRegex(self, captured_std_out_material_set, "Numeric Density: " + str(expected_number_density))
+ assertRegex(self, captured_std_out_material_set, "Number Density: " + str(expected_number_density))
# Test with no material properties set - we can reuse buffer from previous test
assertRegex(self, captured_std_out_material_default, "Absorption cross section: Calculated by Mantid")