def set_material_properties(self, **kwargs):
err_msg = "The following argument is required but was not set or passed: "
absorption_cross_section = common.dictionary_key_helper(dictionary=kwargs, key="absorption_cross_section",
exception_msg=err_msg + "absorption_cross_section")
scattering_cross_section = common.dictionary_key_helper(dictionary=kwargs, key="scattering_cross_section",
exception_msg=err_msg + "scattering_cross_section")
if self.material_object is None:
raise RuntimeError("The material has not been set (or reset). Please set it by calling"
" 'set_material()' to set the material details of the sample.")
self.material_object.set_material_properties(abs_cross_sect=absorption_cross_section,
scattering_cross_sect=scattering_cross_section)
def __init__(self, kwargs):
# By using kwargs we get a better error than "init takes n arguments"
height = common.dictionary_key_helper(dictionary=kwargs, key="height",
exception_msg=property_err_string.format("height"))
radius = common.dictionary_key_helper(dictionary=kwargs, key="radius",
exception_msg=property_err_string.format("radius"))
_Cylinder._validate_constructor_inputs(height=height, radius=radius)
SampleDetails.validate_constructor_inputs({"height": height, "radius": radius})
self.height = float(height)
self.radius = float(radius)
self.shape_type = "cylinder"
def set_material(self, **kwargs):
chemical_formula = common.dictionary_key_helper(dictionary=kwargs, key="chemical_formula",
exception_msg="The following argument is required but was not"
" passed: chemical_formula")
number_density = common.dictionary_key_helper(dictionary=kwargs, key="number_density", throws=False)
if self.material_object is not None:
self.print_sample_details()
raise RuntimeError("The material has already been set to the above details. If the properties"
" have not been set they can be modified with 'set_material_properties()'. Otherwise"
" to change the material call 'reset_sample_material()'")
self.material_object = _Material(chemical_formula=chemical_formula, number_density=number_density)
def test_dictionary_key_helper(self):
good_key_name = "key_exists"
bad_key_name = "key_does_not_exist"
test_dictionary = {good_key_name: 123}
e_msg = "test message"
with self.assertRaises(KeyError):
common.dictionary_key_helper(dictionary=test_dictionary, key=bad_key_name)
with assertRaisesRegex(self, KeyError, e_msg):
common.dictionary_key_helper(dictionary=test_dictionary, key=bad_key_name, exception_msg=e_msg)
self.assertEqual(common.dictionary_key_helper(dictionary=test_dictionary, key=good_key_name), 123)
def set_sample_details(self, **kwargs):
kwarg_name = "sample"
sample_details_obj = common.dictionary_key_helper(
dictionary=kwargs, key=kwarg_name,
exception_msg="The argument containing sample details was not found. Please"
" set the following argument: " + kwarg_name)
self._sample_details = sample_details_obj
def __init__(self, kwargs):
# By using kwargs we get a better error than "init takes n arguments"
thickness = common.dictionary_key_helper(dictionary=kwargs, key="thickness",
exception_msg=property_err_string.format("thickness"))
width = common.dictionary_key_helper(dictionary=kwargs, key="width",
exception_msg=property_err_string.format("width"))
height = common.dictionary_key_helper(dictionary=kwargs, key="height",
exception_msg=property_err_string.format("height"))
angle = common.dictionary_key_helper(dictionary=kwargs, key="angle",
exception_msg=property_err_string.format("angle"))
SampleDetails.validate_constructor_inputs({"thickness": thickness, "width": width, "height": height,
"angle": angle})
self.thickness = float(thickness)
self.width = float(width)
self.height = float(height)
self.angle = float(angle)
self.shape_type = "slab"
def set_material(self, **kwargs):
chemical_formula = common.dictionary_key_helper(
dictionary=kwargs,
key="chemical_formula",
exception_msg="The following argument is required but was not"
" passed: chemical_formula")
number_density = common.dictionary_key_helper(dictionary=kwargs,
key="number_density",
throws=False)
if self.material_object is not None:
self.print_sample_details()
raise RuntimeError(
"The material has already been set to the above details. If the properties"
" have not been set they can be modified with 'set_material_properties()'. Otherwise"
" to change the material call 'reset_sample_material()'")
self.material_object = _Material(chemical_formula=chemical_formula,
number_density=number_density)
def __init__(self, kwargs):
# By using kwargs we get a better error than "init takes n arguments"
height = common.dictionary_key_helper(
dictionary=kwargs,
key="height",
exception_msg=property_err_string.format("height"))
radius = common.dictionary_key_helper(
dictionary=kwargs,
key="radius",
exception_msg=property_err_string.format("radius"))
_Cylinder._validate_constructor_inputs(height=height, radius=radius)
SampleDetails.validate_constructor_inputs({
"height": height,
"radius": radius
})
self.height = float(height)
self.radius = float(radius)
self.shape_type = "cylinder"
def set_sample_details(self, **kwargs):
self._switch_mode_specific_inst_settings(kwargs.get("mode"))
kwarg_name = "sample"
sample_details_obj = common.dictionary_key_helper(
dictionary=kwargs,
key=kwarg_name,
exception_msg=
"The argument containing sample details was not found. Please"
" set the following argument: " + kwarg_name)
self._sample_details = sample_details_obj
def test_dictionary_key_helper(self):
good_key_name = "key_exists"
bad_key_name = "key_does_not_exist"
test_dictionary = {good_key_name: 123}
e_msg = "test message"
with self.assertRaises(KeyError):
common.dictionary_key_helper(dictionary=test_dictionary,
key=bad_key_name)
with self.assertRaisesRegex(KeyError, e_msg):
common.dictionary_key_helper(dictionary=test_dictionary,
key=bad_key_name,
exception_msg=e_msg)
self.assertEqual(
common.dictionary_key_helper(dictionary=test_dictionary,
key=good_key_name), 123)
def test_dictionary_key_helper_handles_mixed_case(self):
mixed_case_name = "tEsT_KeY"
lower_case_name = mixed_case_name.lower()
expected_val = 456
mixed_case_dict = {mixed_case_name: expected_val}
# Check by default it doesn't try to account for key
with self.assertRaises(KeyError):
common.dictionary_key_helper(dictionary=mixed_case_dict, key=lower_case_name)
# Next check if we have the flag set to False it still throws
with self.assertRaises(KeyError):
common.dictionary_key_helper(dictionary=mixed_case_dict, key=lower_case_name, case_insensitive=False)
# Check we actually get the key when we do ask for case insensitive checks
try:
val = common.dictionary_key_helper(dictionary=mixed_case_dict, key=lower_case_name, case_insensitive=True)
self.assertEqual(val, expected_val)
except KeyError:
self.fail("dictionary_key_helper did not perform case insensitive lookup")
def __init__(self, kwargs, sample_height, sample_radius, sample_center):
# By using kwargs we get a better error than "init takes n arguments"
container_radius = common.dictionary_key_helper(dictionary=kwargs, key="radius",
exception_msg=property_err_string.format("radius"))
SampleDetails.validate_constructor_inputs({"container_radius": container_radius})
self.container_radius = float(container_radius)
self.shape_type = "HollowCylinder"
self.sample_radius = sample_radius
self.sample_height = sample_height
self.sample_center = sample_center
def test_dictionary_key_helper_handles_mixed_case(self):
mixed_case_name = "tEsT_KeY"
lower_case_name = mixed_case_name.lower()
expected_val = 456
mixed_case_dict = {mixed_case_name: expected_val}
# Check by default it doesn't try to account for key
with self.assertRaises(KeyError):
common.dictionary_key_helper(dictionary=mixed_case_dict, key=lower_case_name)
# Next check if we have the flag set to False it still throws
with self.assertRaises(KeyError):
common.dictionary_key_helper(dictionary=mixed_case_dict, key=lower_case_name, case_insensitive=False)
# Check we actually get the key when we do ask for case insensitive checks
try:
val = common.dictionary_key_helper(dictionary=mixed_case_dict, key=lower_case_name, case_insensitive=True)
self.assertEqual(val, expected_val)
except KeyError:
self.fail("dictionary_key_helper did not perform case insensitive lookup")
def set_container(self, **kwargs):
chemical_formula = common.dictionary_key_helper(dictionary=kwargs, key="chemical_formula",
exception_msg="The following argument is required but was not"
" passed: chemical_formula")
number_density = common.dictionary_key_helper(dictionary=kwargs, key="number_density", throws=False)
number_density_effective = common.dictionary_key_helper(dictionary=kwargs, key="number_density_effective",
throws=False)
packing_fraction = common.dictionary_key_helper(dictionary=kwargs, key="packing_fraction", throws=False)
if self.container_material_object is not None:
self.print_container_details()
raise RuntimeError("The container material has already been set to the above details. "
"To change the material call 'reset_sample_material()'")
self.container_material_object = _Material(chemical_formula=chemical_formula, number_density=number_density,
number_density_effective=number_density_effective, packing_fraction=packing_fraction)
if self._shape_type.capitalize() == "Cylinder":
self._container_shape = _HollowCylinder(kwargs, sample_height=self.height(), sample_radius=self.radius(),
sample_center=self.center())
elif self._shape_type.capitalize() == "Slab":
self._container_shape = _FlatPlateHolder(kwargs, sample_width=self.width(), sample_height=self.height(),
sample_thickness=self.thickness(), sample_angle=self.angle(),
sample_center=self.center())
def __init__(self, **kwargs):
self._shape_type = common.dictionary_key_helper(dictionary=kwargs, key="shape", throws=False)
if self._shape_type is None:
self._shape_type = "cylinder"
warning = "Failed to supply parameter \"shape\" to SampleDetails - defaulting to \"cylinder\""
print("WARNING: {}".format(warning)) # Show warning in script window
logger.warning(warning) # Show warning in Mantid logging area
center = common.dictionary_key_helper(dictionary=kwargs, key="center",
exception_msg=property_err_string.format("center"))
SampleDetails._validate_center(center)
self._center = [float(i) for i in center] # List of X, Y, Z position
if self._shape_type == "cylinder":
self._shape = _Cylinder(kwargs)
elif self._shape_type == "slab":
self._shape = _Slab(kwargs)
else:
raise KeyError("Shape type \"" + self._shape_type + "\" not supported: current supported shape types are "
"\"cylinder\" and \"slab\"")
self.material_object = None
def __init__(self, **kwargs):
self._shape_type = common.dictionary_key_helper(dictionary=kwargs, key="shape", throws=False)
if self._shape_type is None:
self._shape_type = "cylinder"
warning = "Failed to supply parameter \"shape\" to SampleDetails - defaulting to \"cylinder\""
print("WARNING: {}".format(warning)) # Show warning in script window
logger.warning(warning) # Show warning in Mantid logging area
center = common.dictionary_key_helper(dictionary=kwargs, key="center",
exception_msg=property_err_string.format("center"))
SampleDetails._validate_center(center)
self._center = [float(i) for i in center] # List of X, Y, Z position
if self._shape_type == "cylinder":
self._shape = _Cylinder(kwargs)
elif self._shape_type == "slab":
self._shape = _Slab(kwargs)
else:
raise KeyError("Shape type \"" + self._shape_type + "\" not supported: current supported shape types are "
"\"cylinder\" and \"slab\"")
self.material_object = None
def create_vanadium_sample_details_obj(config_dict):
"""
Creates a SampleDetails object based on a vanadium sample which is found
in the advanced config of an instrument.
:param config_dict: The advanced config dictionary of the instrument for the vanadium sample
:return: A sample details object which holds properties used in sample corrections
"""
height_key = "cylinder_sample_height"
radius_key = "cylinder_sample_radius"
pos_key = "cylinder_position"
formula_key = "chemical_formula"
number_density_key = "number_density"
e_msg = "The following key was not found in the advanced configuration for sample correction:\n"
height = common.dictionary_key_helper(dictionary=config_dict,
key=height_key,
exception_msg=e_msg + height_key)
radius = common.dictionary_key_helper(dictionary=config_dict,
key=radius_key,
exception_msg=e_msg + radius_key)
pos = common.dictionary_key_helper(dictionary=config_dict,
key=pos_key,
exception_msg=e_msg + pos_key)
formula = common.dictionary_key_helper(dictionary=config_dict,
key=formula_key,
exception_msg=e_msg + formula_key)
number_density = common.dictionary_key_helper(dictionary=config_dict,
key=number_density_key,
throws=False)
vanadium_sample_details = sample_details.SampleDetails(height=height,
radius=radius,
center=pos,
shape="cylinder")
vanadium_sample_details.set_material(chemical_formula=formula,
number_density=number_density)
return vanadium_sample_details
def __init__(self, kwargs):
# By using kwargs we get a better error than "init takes n arguments"
thickness = common.dictionary_key_helper(dictionary=kwargs, key="thickness",
exception_msg=property_err_string.format("thickness"))
width = common.dictionary_key_helper(dictionary=kwargs, key="width",
exception_msg=property_err_string.format("width"))
height = common.dictionary_key_helper(dictionary=kwargs, key="height",
exception_msg=property_err_string.format("height"))
angle = common.dictionary_key_helper(dictionary=kwargs, key="angle",
exception_msg=property_err_string.format("angle"))
SampleDetails.validate_constructor_inputs({"thickness": thickness, "width": width, "height": height,
"angle": angle})
self.thickness = float(thickness)
self.width = float(width)
self.height = float(height)
self.angle = float(angle)
self.shape_type = "slab"
center = common.dictionary_key_helper(dictionary=kwargs, key="center",
exception_msg=property_err_string.format("center"))
SampleDetails.validate_center(center)
self.center = [float(i) for i in center] # List of X, Y, Z position
def create_vanadium_sample_details_obj(config_dict):
"""
Creates a SampleDetails object based on a vanadium sample which is found
in the advanced config of an instrument.
:param config_dict: The advanced config dictionary of the instrument for the vanadium sample
:return: A sample details object which holds properties used in sample corrections
"""
height_key = "cylinder_sample_height"
radius_key = "cylinder_sample_radius"
pos_key = "cylinder_position"
formula_key = "chemical_formula"
number_density_key = "number_density"
e_msg = "The following key was not found in the advanced configuration for sample correction:\n"
height = common.dictionary_key_helper(dictionary=config_dict, key=height_key, exception_msg=e_msg + height_key)
radius = common.dictionary_key_helper(dictionary=config_dict, key=radius_key, exception_msg=e_msg + radius_key)
pos = common.dictionary_key_helper(dictionary=config_dict, key=pos_key, exception_msg=e_msg + pos_key)
formula = common.dictionary_key_helper(dictionary=config_dict, key=formula_key, exception_msg=e_msg + formula_key)
number_density = common.dictionary_key_helper(dictionary=config_dict, key=number_density_key, throws=False)
vanadium_sample_details = sample_details.SampleDetails(height=height, radius=radius, center=pos, shape="cylinder")
vanadium_sample_details.set_material(chemical_formula=formula, number_density=number_density)
return vanadium_sample_details
def __init__(self, **kwargs):
self._shape_type = common.dictionary_key_helper(dictionary=kwargs, key="shape", throws=False)
if self._shape_type is None:
self._shape_type = "cylinder"
warning = "Failed to supply parameter \"shape\" to SampleDetails - defaulting to \"cylinder\""
print("WARNING: {}".format(warning)) # Show warning in script window
logger.warning(warning) # Show warning in Mantid logging area
if self._shape_type == "cylinder":
self._shape = _Cylinder(kwargs)
elif self._shape_type == "slab":
self._shape = _Slab(kwargs)
else:
raise KeyError("Shape type \"" + self._shape_type + "\" not supported: current supported shape types are "
"\"cylinder\" and \"slab\"")
self.material_object = None
self.container_material_object = None
self._container_shape = None
