def test_flatten_empty_history():
"""Test that flatten works when the objects are empty and go through a whole history."""
procured = ProcessSpec(name="procured")
input = MaterialSpec(name="foo", process=procured)
transform = ProcessSpec(name="transformed")
ingredient = IngredientSpec(name="input", material=input, process=transform)
procured_run = ProcessRun(name="procured", spec=procured)
input_run = MaterialRun(name="foo", process=procured_run, spec=input)
transform_run = ProcessRun(name="transformed", spec=transform)
ingredient_run = IngredientRun(material=input_run, process=transform_run, spec=ingredient)
assert len(flatten(procured, 'test-scope')) == 1
assert 'test-scope' in procured.uids
assert len(flatten(input, 'test-scope')) == 1
assert len(flatten(ingredient, 'test-scope')) == 3
assert len(flatten(transform, 'test-scope')) == 3
assert len(flatten(procured_run, 'test-scope')) == 3
assert len(flatten(input_run, 'test-scope')) == 3
assert len(flatten(ingredient_run, 'test-scope')) == 7
assert len(flatten(transform_run, 'test-scope')) == 7
def test_mat_spec_properties(caplog):
"""Make sure template validations and level controls behave as expected."""
prop_tmpl = PropertyTemplate("Name", bounds=IntegerBounds(0, 2))
cond_tmpl = ConditionTemplate("Name", bounds=IntegerBounds(0, 2))
mat_tmpl = MaterialTemplate("Material Template", properties=[[prop_tmpl, IntegerBounds(0, 1)]])
mat_spec = MaterialSpec("Material Spec", template=mat_tmpl)
good_prop = PropertyAndConditions(
property=Property("Name", value=NominalInteger(1), template=prop_tmpl),
conditions=[Condition("Name", value=NominalInteger(1), template=cond_tmpl)]
)
bad_prop = PropertyAndConditions(
property=Property("Name", value=NominalInteger(2), template=prop_tmpl),
conditions=[Condition("Name", value=NominalInteger(1), template=cond_tmpl)]
)
bad_cond = PropertyAndConditions( # This will pass since we don't have a condition constraint
property=Property("Name", value=NominalInteger(1), template=prop_tmpl),
conditions=[Condition("Name", value=NominalInteger(2), template=cond_tmpl)]
)
with validation_level(WarningLevel.IGNORE):
mat_spec.properties.append(good_prop)
assert len(caplog.records) == 0, "Warning encountered on IGNORE"
mat_spec.properties.append(bad_prop)
assert len(caplog.records) == 0, "Warning encountered on IGNORE"
mat_spec.properties.append(bad_cond)
assert len(caplog.records) == 0, "Warning encountered on IGNORE"
with validation_level(WarningLevel.WARNING):
mat_spec.properties.append(good_prop)
assert len(caplog.records) == 0, "Warning encountered on Good value"
mat_spec.properties.append(bad_prop)
assert len(caplog.records) == 1, "No warning encountered on Bad Value"
mat_spec.properties.append(bad_cond)
assert len(caplog.records) == 1, "Warning encountered on Bad condition"
with validation_level(WarningLevel.FATAL):
mat_spec.properties.append(good_prop) # This is fine
with pytest.raises(ValueError):
mat_spec.properties.append(bad_prop)
mat_spec.properties.append(bad_cond) # This should probably not be fine
def test_material_run():
"""
Test the ability to create a MaterialRun that is linked to a MaterialSpec.
Make sure all enumerated values are respected, and check consistency after
serializing and deserializing.
"""
# Define a property, and make sure that an inappropriate value for origin throws ValueError
with pytest.raises(ValueError):
prop = Property(name="A property",
origin="bad origin",
value=NominalReal(17, units=''))
# Create a MaterialSpec with a property
prop = Property(name="A property",
origin="specified",
value=NominalReal(17, units=''))
mat_spec = MaterialSpec(name="a specification for a material",
properties=PropertyAndConditions(prop),
notes="Funny lookin'")
# Make sure that when property is serialized, origin (an enumeration) is serialized as a string
copy_prop = json.loads(dumps(mat_spec))
copy_origin = copy_prop["context"][0]["properties"][0]['property'][
'origin']
assert isinstance(copy_origin, str)
# Create a MaterialRun, and make sure an inappropriate value for sample_type throws ValueError
with pytest.raises(ValueError):
mat = MaterialRun(spec=mat_spec, sample_type="imaginary")
mat = MaterialRun(spec=mat_spec, sample_type="virtual")
# ensure that serialization does not change the MaterialRun
copy = loads(dumps(mat))
assert dumps(copy) == dumps(mat), \
"Material run is modified by serialization or deserialization"
def test_equality():
"""Test that equality check works as expected."""
spec = MaterialSpec("A spec",
properties=PropertyAndConditions(
property=Property("a property", value=NominalReal(3, ''))),
tags=["a tag"])
mat1 = MaterialRun("A material", spec=spec)
mat2 = MaterialRun("A material", spec=spec, tags=["A tag"])
assert mat1 == deepcopy(mat1)
assert mat1 != mat2
assert mat1 != "A material"
mat3 = deepcopy(mat1)
assert mat1 == mat3, "Copy somehow failed"
MeasurementRun("A measurement", material=mat3)
assert mat1 != mat3
mat4 = deepcopy(mat3)
assert mat4 == mat3, "Copy somehow failed"
mat4.measurements[0].tags.append('A tag')
assert mat4 != mat3
mat5 = next(x for x in flatten(mat4, 'test-scope') if isinstance(x, MaterialRun))
assert mat5 == mat4, "Flattening removes measurement references, but that's okay"
def make_data_island(density,
bulk_modulus,
firing_temperature,
binders,
powders,
tag=None):
"""Helper function to create a relatively involved data island."""
binder_specs = keymap(lambda x: MaterialSpec(name=x), binders)
powder_specs = keymap(lambda x: MaterialSpec(name=x), powders)
binder_runs = keymap(lambda x: MaterialRun(name=x.name, spec=x),
binder_specs)
powder_runs = keymap(lambda x: MaterialRun(name=x.name, spec=x),
powder_specs)
all_input_materials = keymap(lambda x: x.spec.name,
merge(binder_runs, powder_runs))
mixing_composition = Condition(
name="composition", value=NominalComposition(all_input_materials))
mixing_process = ProcessRun(name="Mixing",
tags=["mixing"],
conditions=[mixing_composition])
binder_ingredients = []
for run in binder_runs:
binder_ingredients.append(
IngredientRun(
material=run,
process=mixing_process,
mass_fraction=NominalReal(binders[run.spec.name], ''),
))
powder_ingredients = []
for run in powder_runs:
powder_ingredients.append(
IngredientRun(
material=run,
process=mixing_process,
mass_fraction=NominalReal(powders[run.spec.name], ''),
))
green_sample = MaterialRun("Green", process=mixing_process)
measured_firing_temperature = Condition(
name="Firing Temperature",
value=UniformReal(firing_temperature - 0.5, firing_temperature + 0.5,
'degC'),
template=firing_temperature_template)
specified_firing_setting = Parameter(name="Firing setting",
value=DiscreteCategorical("hot"))
firing_spec = ProcessSpec("Firing", template=firing_template)
firing_process = ProcessRun(name=firing_spec.name,
conditions=[measured_firing_temperature],
parameters=[specified_firing_setting],
spec=firing_spec)
IngredientRun(material=green_sample,
process=firing_process,
mass_fraction=NormalReal(1.0, 0.0, ''),
volume_fraction=NormalReal(1.0, 0.0, ''),
number_fraction=NormalReal(1.0, 0.0, ''))
measured_density = Property(name="Density",
value=NominalReal(density, ''),
template=density_template)
measured_modulus = Property(name="Bulk modulus",
value=NormalReal(bulk_modulus,
bulk_modulus / 100.0, ''))
measurement_spec = MeasurementSpec("Mechanical Properties",
template=measurement_template)
measurement = MeasurementRun(
measurement_spec.name,
properties=[measured_density, measured_modulus],
spec=measurement_spec)
tags = [tag] if tag else []
material_spec = MaterialSpec("Coupon", template=material_template)
material_run = MaterialRun(material_spec.name,
process=firing_process,
tags=tags,
spec=material_spec)
measurement.material = material_run
return material_run
def make_cake_spec(tmpl=None):
"""Define a recipe for making a cake."""
###############################################################################################
# Templates
if tmpl is None:
tmpl = make_cake_templates()
count = dict()
def ingredient_kwargs(material):
# Pulls the elements of a material that all ingredients consume out
count[material.name] = count.get(material.name, 0) + 1
return {
"name":
"{} input{}".format(material.name.replace('Abstract ', ''),
" (Again)" * (count[material.name] - 1)),
"tags":
list(material.tags),
"material":
material
}
###############################################################################################
# Objects
cake = MaterialSpec(
name="Abstract Cake",
template=tmpl["Dessert"],
process=ProcessSpec(
name='Icing Cake, in General',
template=tmpl["Icing"],
tags=['spreading'],
notes='The act of covering a baked output with frosting'),
properties=[
PropertyAndConditions(
Property(name="Tastiness",
value=NominalInteger(5),
template=tmpl["Tastiness"],
origin="specified"))
],
file_links=FileLink(
filename="Becky's Butter Cake",
url='https://www.landolakes.com/recipe/16730/becky-s-butter-cake/'
),
tags=['cake::butter cake', 'dessert::baked::cake', 'iced::chocolate'],
notes=
'Butter cake recipe reminiscent of the 1-2-3-4 cake that Grandma may have baked.'
)
########################
frosting = MaterialSpec(
name="Abstract Frosting",
template=tmpl["Dessert"],
process=ProcessSpec(
name='Mixing Frosting, in General',
template=tmpl["Mixing"],
tags=['mixing'],
notes='Combining ingredients to make a sweet frosting'),
tags=['frosting::chocolate', 'topping::chocolate'],
notes='Chocolate frosting')
IngredientSpec(**ingredient_kwargs(frosting),
notes='Seems like a lot of frosting',
labels=['coating'],
process=cake.process,
absolute_quantity=NominalReal(nominal=0.751, units='kg'))
baked_cake = MaterialSpec(
name="Abstract Baked Cake",
template=tmpl["Generic Material"],
process=ProcessSpec(
name='Baking, in General',
template=tmpl["Baking in an oven"],
tags=['oven::baking'],
notes='Using heat to convert batter into a solid matrix'),
tags=[],
notes='The cakey part of the cake')
IngredientSpec(**ingredient_kwargs(baked_cake),
labels=['substrate'],
process=cake.process)
########################
batter = MaterialSpec(
name="Abstract Batter",
template=tmpl["Generic Material"],
process=ProcessSpec(
name='Mixing Batter, in General',
template=tmpl["Mixing"],
tags=['mixing'],
notes='Combining ingredients to make a baking feedstock'),
tags=[],
notes='The fluid that converts to cake with heat')
IngredientSpec(**ingredient_kwargs(batter),
labels=['precursor'],
process=baked_cake.process)
########################
wetmix = MaterialSpec(
name="Abstract Wet Mix",
template=tmpl["Generic Material"],
process=ProcessSpec(
name='Mixing Wet, in General',
template=tmpl["Mixing"],
tags=['mixing'],
notes='Combining wet ingredients to make a baking feedstock'),
tags=[],
notes='The wet fraction of a batter')
IngredientSpec(**ingredient_kwargs(wetmix),
labels=['wet'],
process=batter.process)
drymix = MaterialSpec(
name="Abstract Dry Mix",
template=tmpl["Generic Material"],
process=ProcessSpec(
name='Mixing Dry, in General',
template=tmpl["Mixing"],
tags=['mixing'],
notes='Combining dry ingredients to make a baking feedstock'),
tags=[],
notes='The dry fraction of a batter')
IngredientSpec(**ingredient_kwargs(drymix),
labels=['dry'],
process=batter.process,
absolute_quantity=NominalReal(nominal=3.052, units='cups'))
########################
flour = MaterialSpec(
name="Abstract Flour",
template=tmpl["Nutritional Material"],
properties=[
PropertyAndConditions(
property=Property(name="Nutritional Information",
value=NominalComposition({
"dietary-fiber":
1,
"sugars":
1,
"other-carbohydrate":
20,
"protein":
4,
"other":
4
}),
template=tmpl["Nutritional Information"],
origin="specified"),
conditions=Condition(name="Serving Size",
value=NominalReal(30, 'g'),
template=tmpl["Sample Mass"],
origin="specified"))
],
process=ProcessSpec(name='Buying Flour, in General',
template=tmpl["Procurement"],
tags=['purchase::dry-goods'],
notes='Purchasing all purpose flour'),
tags=[],
notes='All-purpose flour')
IngredientSpec(
**ingredient_kwargs(flour),
labels=['dry'],
process=drymix.process,
volume_fraction=NominalReal(nominal=0.9829, units='') # 3 cups
)
baking_powder = MaterialSpec(name="Abstract Baking Powder",
template=tmpl["Generic Material"],
process=ProcessSpec(
name='Buying Baking Powder, in General',
template=tmpl["Procurement"],
tags=['purchase::dry-goods'],
notes='Purchasing baking powder'),
tags=[],
notes='Leavening agent for cake')
IngredientSpec(
**ingredient_kwargs(baking_powder),
labels=['leavening', 'dry'],
process=drymix.process,
volume_fraction=NominalReal(nominal=0.0137, units='') # 2 teaspoons
)
salt = MaterialSpec(name="Abstract Salt",
template=tmpl["Formulaic Material"],
process=ProcessSpec(name='Buying Salt, in General',
template=tmpl["Procurement"],
tags=['purchase::dry-goods'],
notes='Purchasing salt'),
tags=[],
notes='Plain old NaCl',
properties=[
PropertyAndConditions(
Property(name='Formula',
value=EmpiricalFormula("NaCl")))
])
IngredientSpec(
**ingredient_kwargs(salt),
labels=['dry', 'seasoning'],
process=drymix.process,
volume_fraction=NominalReal(nominal=0.0034, units='') # 1/2 teaspoon
)
sugar = MaterialSpec(
name="Abstract Sugar",
template=tmpl["Formulaic Material"],
process=ProcessSpec(name='Buying Sugar, in General',
template=tmpl["Procurement"],
tags=['purchase::dry-goods'],
notes='Purchasing all purpose flour'),
tags=[],
notes='Sugar',
properties=[
PropertyAndConditions(
Property(name="Formula", value=EmpiricalFormula("C12H22O11"))),
PropertyAndConditions(
Property(name='SMILES',
value=Smiles(
"C(C1C(C(C(C(O1)OC2(C(C(C(O2)CO)O)O)CO)O)O)O)O"),
template=tmpl["Molecular Structure"]))
])
IngredientSpec(**ingredient_kwargs(sugar),
labels=['wet', 'sweetener'],
process=wetmix.process,
absolute_quantity=NominalReal(nominal=2, units='cups'))
butter = MaterialSpec(
name="Abstract Butter",
template=tmpl["Generic Material"],
process=ProcessSpec(name='Buying Butter, in General',
template=tmpl["Procurement"],
tags=['purchase::produce'],
notes='Purchasing butter'),
tags=[],
notes='Shortening for making rich, buttery baked goods')
IngredientSpec(**ingredient_kwargs(butter),
labels=['wet', 'shortening'],
process=wetmix.process,
absolute_quantity=NominalReal(nominal=1, units='cups'))
IngredientSpec(
**ingredient_kwargs(butter),
labels=['shortening'],
process=frosting.process,
mass_fraction=NominalReal(nominal=0.1434,
units='') # 1/2 c @ 0.911 g/cc
)
eggs = MaterialSpec(name="Abstract Eggs",
template=tmpl["Generic Material"],
process=ProcessSpec(name='Buying Eggs, in General',
template=tmpl["Procurement"],
tags=['purchase::produce'],
notes='Purchasing eggs'),
tags=[],
notes='')
IngredientSpec(**ingredient_kwargs(eggs),
labels=['wet'],
absolute_quantity=NominalReal(nominal=4, units=''))
vanilla = MaterialSpec(
name="Abstract Vanilla",
template=tmpl["Generic Material"],
process=ProcessSpec(name='Buying Vanilla, in General',
template=tmpl["Procurement"],
tags=['purchase::dry-goods'],
notes='Purchasing vanilla'),
tags=[],
notes=
'Vanilla Extract is mostly alcohol but the most important component '
'is vanillin (see attached structure)',
properties=[
PropertyAndConditions(
Property(
name='Component Structure',
value=InChI(
"InChI=1S/C8H8O3/c1-11-8-4-6(5-9)2-3-7(8)10/h2-5,10H,1H3"
),
template=tmpl["Molecular Structure"]))
])
IngredientSpec(**ingredient_kwargs(vanilla),
labels=['wet', 'flavoring'],
process=wetmix.process,
absolute_quantity=NominalReal(nominal=2, units='teaspoons'))
IngredientSpec(
**ingredient_kwargs(vanilla),
labels=['flavoring'],
process=frosting.process,
mass_fraction=NominalReal(nominal=0.0231,
units='') # 2 tsp @ 0.879 g/cc
)
milk = MaterialSpec(name="Abstract Milk",
template=tmpl["Generic Material"],
process=ProcessSpec(name='Buying Milk, in General',
template=tmpl["Procurement"],
tags=['purchase::produce'],
notes='Purchasing milk'),
tags=[],
notes='')
IngredientSpec(**ingredient_kwargs(milk),
labels=['wet'],
process=batter.process,
absolute_quantity=NominalReal(nominal=1, units='cup'))
IngredientSpec(
**ingredient_kwargs(milk),
labels=[],
process=frosting.process,
mass_fraction=NominalReal(nominal=0.0816,
units='') # 1/4 c @ 1.037 g/cc
)
chocolate = MaterialSpec(name="Abstract Chocolate",
template=tmpl["Generic Material"],
process=ProcessSpec(
name='Buying Chocolate, in General',
template=tmpl["Procurement"],
tags=['purchase::dry-goods'],
notes='Purchasing chocolate'),
tags=[],
notes='')
IngredientSpec(
**ingredient_kwargs(chocolate),
labels=['flavoring'],
process=frosting.process,
mass_fraction=NominalReal(nominal=0.1132, units='') # 3 oz.
)
powder_sugar = MaterialSpec(
name="Abstract Powdered Sugar",
template=tmpl["Generic Material"],
process=ProcessSpec(name='Buying Powdered Sugar, in General',
template=tmpl["Procurement"],
tags=['purchase::dry-goods'],
notes='Purchasing powdered sugar'),
tags=[],
notes='Granulated sugar mixed with corn starch')
IngredientSpec(
**ingredient_kwargs(powder_sugar),
labels=['flavoring'],
process=frosting.process,
mass_fraction=NominalReal(nominal=0.6387,
units='') # 4 c @ 30 g/ 0.25 cups
)
# Crawl tree and annotate with uids; only add ids if there's nothing there
recursive_foreach(
cake, lambda obj: obj.uids or obj.add_uid(DEMO_SCOPE, obj.name))
return cake
