def test_circular_crawl():
"""Test that make_instance can handle a circular set of linked objects."""
proc = ProcessSpec("process name")
mat = MaterialSpec("material name", process=proc)
IngredientSpec(name="ingredient name", material=mat, process=proc)
mat_run = make_instance(mat)
assert mat_run == mat_run.process.ingredients[0].material
def test_make_instance():
"""Build up several linked objects and test their properties."""
msr_spec = MeasurementSpec()
assert isinstance(make_instance(msr_spec), MeasurementRun)
mat_spec = MaterialSpec(name='Mat name')
mat_spec.process = ProcessSpec(name='Pro name')
IngredientSpec(name='Ing label', process=mat_spec.process)
mat_spec.process.ingredients[0].material = MaterialSpec(name='Baby mat name')
mat_run = make_instance(mat_spec)
assert isinstance(mat_run, MaterialRun)
assert isinstance(mat_run.process, ProcessRun)
assert isinstance(mat_run.process.ingredients[0], IngredientRun)
assert isinstance(mat_run.process.ingredients[0].material, MaterialRun)
assert mat_run.process.spec == mat_run.spec.process
ingredient = mat_run.process.ingredients[0]
assert ingredient.spec == mat_run.spec.process.ingredients[0]
assert ingredient.material.spec == mat_run.spec.process.ingredients[0].material
def make_strehlow_objects(table=None, template_scope=DEMO_TEMPLATE_SCOPE):
"""Make a table with Strehlow & Cook data."""
tmpl = make_templates(template_scope)
if table is None:
table = import_table()
# Specs
msr_spec = MeasurementSpec(name='Band gap',
template=tmpl["Band gap measurement"]
)
def real_mapper(prop):
"""Mapping methods for RealBounds."""
if 'uncertainty' in prop['scalars'][0]:
if prop['units'] == 'eV': # Arbitrarily convert to attojoules
mean = convert_units(value=float(prop['scalars'][0]['value']),
starting_unit=prop['units'],
final_unit='aJ'
)
std = convert_units(value=float(prop['scalars'][0]['value']),
starting_unit=prop['units'],
final_unit='aJ'
)
val = NormalReal(mean=mean,
units='aJ',
std=std
)
else:
val = NormalReal(mean=float(prop['scalars'][0]['value']),
units=prop['units'],
std=float(prop['scalars'][0]['uncertainty'])
)
else:
val = NominalReal(nominal=float(prop['scalars'][0]['value']),
units=prop['units']
)
return val
content_map = {
RealBounds: real_mapper,
CategoricalBounds: lambda prop: NominalCategorical(category=prop['scalars'][0]['value']),
type(None): lambda bnd: 'Label'
}
datapoints = []
compounds = dict()
for row in table:
formula = formula_clean(row['chemicalFormula'])
if formula not in compounds:
compounds[formula] = MaterialSpec(
name=formula_latex(formula),
template=tmpl["Chemical"],
process=ProcessSpec(name="Sample preparation",
template=tmpl["Sample preparation"]
))
spec = compounds[formula]
run = make_instance(spec)
datapoints.append(run)
if not spec.properties:
spec.properties.append(
PropertyAndConditions(
property=Property(name=spec.template.properties[0][0].name,
value=EmpiricalFormula(formula=formula),
template=spec.template.properties[0][0])
))
msr = make_instance(msr_spec)
msr.material = run
# 2 categories in the PIF need to be split to avoid repeat Attribute Templates in a Run
name_map = {
'Phase': 'Crystal system',
'Transition': 'Bands'
}
origin_map = {
'EXPERIMENTAL': Origin.MEASURED,
'COMPUTATIONAL': Origin.COMPUTED
}
seen = set() # Some conditions come in from multiple properties on the same object
for prop in row['properties']:
origin = origin_map.get(prop.get('dataType', None), Origin.UNKNOWN)
if 'method' in prop:
method = 'Method: ' + prop['method']['name']
else:
method = 'Method: unreported'
for attr in [prop] + prop.get('conditions', []):
if attr['name'] in seen:
# Early return if it's a repeat
continue
seen.add(attr['name'])
template = tmpl[attr['name']]
# Figure out if we need to split this column
if attr['name'] in name_map:
value = attr['scalars'][0]['value']
if value not in template.bounds.categories:
template = tmpl[name_map[attr['name']]]
# Move into GEMD structure
if type(template) == PropertyTemplate:
msr.properties.append(
Property(name=template.name,
template=template,
value=content_map[type(template.bounds)](attr),
origin=origin,
notes=method
))
elif type(template) == ConditionTemplate:
msr.conditions.append(
Condition(name=template.name,
template=template,
value=content_map[type(template.bounds)](attr),
origin=origin,
notes=method
))
return datapoints
def make_cake(seed=None, tmpl=None, cake_spec=None, toothpick_img=None):
"""Define all objects that go into making a demo cake."""
import struct
import hashlib
if seed is not None:
random.seed(seed)
# Code to generate quasi-repeatable run annotations
# Note there are potential machine dependencies
md5 = hashlib.md5()
for x in random.getstate()[1]:
md5.update(struct.pack(">I", x))
run_key = md5.hexdigest()
######################################################################
# Parent Objects
if tmpl is None:
tmpl = make_cake_templates()
if cake_spec is None:
cake_spec = make_cake_spec(tmpl)
######################################################################
# Objects
cake_obj = make_instance(cake_spec)
operators = ['gwash', 'jadams', 'thomasj', 'jmadison', 'jmonroe']
producers = ['Fresh Farm', 'Sunnydale', 'Greenbrook']
drygoods = ['Acme', 'A1', 'Reliable', "Big Box"]
cake_obj.process.source = PerformedSource(
performed_by=random.choice(operators), performed_date='2015-03-14')
def _randomize_object(item):
# Add in the randomized particular values
if not isinstance(item, (MaterialRun, ProcessRun, IngredientRun)):
return
item.add_uid(DEMO_SCOPE, '{}-{}'.format(item.spec.uids[DEMO_SCOPE],
run_key))
if item.spec.tags is not None:
item.tags = list(item.spec.tags)
if item.spec.notes: # Neither None or empty string
item.notes = 'The spec says "{}"'.format(item.spec.notes)
if isinstance(item, MaterialRun):
if 'raw material' in item.tags:
if 'produce' in item.tags:
supplier = random.choice(producers)
else:
supplier = random.choice(drygoods)
item.name = "{} {}".format(supplier, item.spec.name)
if isinstance(item, ProcessRun):
if item.template.name == "Procuring":
item.source = PerformedSource(performed_by='hamilton',
performed_date='2015-02-17')
item.name = "{} {}".format(item.template.name,
item.output_material.name)
else:
item.source = cake_obj.process.source
if isinstance(item, IngredientRun):
fuzz = 0.95 + 0.1 * random.random()
if item.spec.absolute_quantity is not None:
item.absolute_quantity = \
NormalReal(mean=fuzz * item.spec.absolute_quantity.nominal,
std=0.05 * item.spec.absolute_quantity.nominal,
units=item.spec.absolute_quantity.units)
if item.spec.volume_fraction is not None:
# The only element here is dry mix, and it's almost entirely flour
item.volume_fraction = \
NormalReal(mean=0.01 * (fuzz - 0.5) + item.spec.volume_fraction.nominal,
std=0.005,
units=item.spec.volume_fraction.units)
if item.spec.mass_fraction is not None:
item.mass_fraction = \
UniformReal(lower_bound=(fuzz - 0.05) * item.spec.mass_fraction.nominal,
upper_bound=(fuzz + 0.05) * item.spec.mass_fraction.nominal,
units=item.spec.mass_fraction.units)
if item.spec.number_fraction is not None:
item.number_fraction = \
NormalReal(mean=fuzz * item.spec.number_fraction.nominal,
std=0.05 * item.spec.number_fraction.nominal,
units=item.spec.number_fraction.units)
recursive_foreach(cake_obj, _randomize_object)
frosting = \
next(x.material for x in cake_obj.process.ingredients if 'rosting' in x.name)
baked = \
next(x.material for x in cake_obj.process.ingredients if 'aked' in x.name)
def _find_name(name, material):
"""Recursively search for the right material."""
if name in material.name:
return material
for ingredient in material.process.ingredients:
result = _find_name(name, ingredient.material)
if result:
return result
return
flour = _find_name('Flour', cake_obj)
salt = _find_name('Salt', cake_obj)
sugar = _find_name('Sugar', cake_obj)
# Add measurements
cake_taste = MeasurementRun(name='Final Taste', material=cake_obj)
cake_appearance = MeasurementRun(name='Final Appearance',
material=cake_obj)
frosting_taste = MeasurementRun(name='Frosting Taste', material=frosting)
frosting_sweetness = MeasurementRun(name='Frosting Sweetness',
material=frosting)
baked_doneness = MeasurementRun(name='Baking doneness', material=baked)
flour_content = MeasurementRun(name='Flour nutritional analysis',
material=flour)
salt_content = MeasurementRun(name='Salt elemental analysis',
material=salt)
sugar_content = MeasurementRun(name='Sugar elemental analysis',
material=sugar)
if toothpick_img is not None:
baked_doneness.file_links.append(toothpick_img)
# and spec out the measurements
cake_taste.spec = MeasurementSpec(name='Taste',
template=tmpl['Taste test'])
cake_appearance.spec = MeasurementSpec(name='Appearance')
frosting_taste.spec = cake_taste.spec # Taste
frosting_sweetness.spec = MeasurementSpec(name='Sweetness')
baked_doneness.spec = MeasurementSpec(name='Doneness',
template=tmpl["Doneness"])
flour_content.spec = MeasurementSpec(name='Nutritional analysis',
template=tmpl["Nutritional Analysis"])
salt_content.spec = MeasurementSpec(name='Elemental analysis',
template=tmpl["Elemental Analysis"])
sugar_content.spec = salt_content.spec
# Note that while specs are regenerated each make_cake invocation, they are all identical
for msr in (cake_taste, cake_appearance, frosting_taste,
frosting_sweetness, baked_doneness, flour_content,
salt_content, sugar_content):
msr.spec.add_uid(DEMO_SCOPE, msr.spec.name.lower())
msr.add_uid(
DEMO_SCOPE,
'{}--{}-{}'.format(msr.spec.uids[DEMO_SCOPE],
msr.material.spec.uids[DEMO_SCOPE], run_key))
######################################################################
# Let's add some attributes
baked.process.conditions.append(
Condition(name='Cooking time',
template=tmpl['Cooking time'],
origin=Origin.MEASURED,
value=NominalReal(nominal=48, units='min')))
baked.process.conditions.append(
Condition(name='Oven temperature',
origin="measured",
value=NominalReal(nominal=362, units='degF')))
cake_taste.properties.append(
Property(name='Tastiness',
origin=Origin.MEASURED,
template=tmpl['Tastiness'],
value=UniformInteger(4, 5)))
cake_appearance.properties.append(
Property(name='Visual Appeal',
origin=Origin.MEASURED,
value=NominalInteger(nominal=5)))
frosting_taste.properties.append(
Property(name='Tastiness',
origin=Origin.MEASURED,
template=tmpl['Tastiness'],
value=NominalInteger(nominal=4)))
frosting_sweetness.properties.append(
Property(name='Sweetness (Sucrose-basis)',
origin=Origin.MEASURED,
value=NominalReal(nominal=1.7, units='')))
baked_doneness.properties.append(
Property(name='Toothpick test',
origin="measured",
template=tmpl["Toothpick test"],
value=NominalCategorical("crumbs")))
baked_doneness.properties.append(
Property(name='Color',
origin="measured",
template=tmpl["Color"],
value=DiscreteCategorical({
"Pale": 0.05,
"Golden brown": 0.65,
"Deep brown": 0.3
})))
flour_content.properties.append(
Property(name='Nutritional Information',
value=NominalComposition({
"dietary-fiber":
1 * (0.99 + 0.02 * random.random()),
"sugars":
1 * (0.99 + 0.02 * random.random()),
"other-carbohydrate":
20 * (0.99 + 0.02 * random.random()),
"protein":
4 * (0.99 + 0.02 * random.random()),
"other":
4 * (0.99 + 0.02 * random.random())
}),
template=tmpl["Nutritional Information"],
origin="measured"))
flour_content.conditions.append(
Condition(name='Sample Mass',
value=NormalReal(mean=99 + 2 * random.random(),
std=1.5,
units='mg'),
template=tmpl["Sample Mass"],
origin="measured"))
flour_content.parameters.append(
Parameter(name='Expected Sample Mass',
value=NominalReal(nominal=0.1, units='g'),
template=tmpl["Expected Sample Mass"],
origin="specified"))
flour_content.spec.conditions.append(
Condition(name='Sample Mass',
value=NominalReal(nominal=100, units='mg'),
template=tmpl["Sample Mass"],
origin="specified"))
flour_content.spec.parameters.append(
Parameter(name='Expected Sample Mass',
value=NominalReal(nominal=0.1, units='g'),
template=tmpl["Expected Sample Mass"],
origin="specified"))
salt_content.properties.append(
Property(name="Composition",
value=EmpiricalFormula(
formula="NaClCa0.006Si0.006O0.018K0.000015I0.000015"),
template=tmpl["Chemical Formula"],
origin="measured"))
salt_content.conditions.append(
Condition(name='Sample Mass',
value=NormalReal(mean=99 + 2 * random.random(),
std=1.5,
units='mg'),
template=tmpl["Sample Mass"],
origin="measured"))
salt_content.parameters.append(
Parameter(name='Expected Sample Mass',
value=NominalReal(nominal=0.1, units='g'),
template=tmpl["Expected Sample Mass"],
origin="specified"))
salt_content.spec.conditions.append(
Condition(name='Sample Mass',
value=NominalReal(nominal=100, units='mg'),
template=tmpl["Sample Mass"],
origin="specified"))
sugar_content.properties.append(
Property(
name="Composition",
value=EmpiricalFormula(formula='C11.996H21.995O10.997S0.00015'),
template=tmpl["Chemical Formula"],
origin="measured"))
sugar_content.conditions.append(
Condition(name='Sample Mass',
value=NormalReal(mean=99 + 2 * random.random(),
std=1.5,
units='mg'),
template=tmpl["Sample Mass"],
origin="measured"))
sugar_content.spec.parameters.append(
Parameter(name='Expected Sample Mass',
value=NominalReal(nominal=0.1, units='g'),
template=tmpl["Expected Sample Mass"],
origin="specified"))
cake_obj.notes = cake_obj.notes + "; Très délicieux! 😀"
cake_obj.file_links = [
FileLink(
filename="Photo",
url='https://storcpdkenticomedia.blob.core.windows.net/media/'
'recipemanagementsystem/media/recipe-media-files/recipes/retail/x17/'
'16730-beckys-butter-cake-600x600.jpg?ext=.jpg')
]
return cake_obj
def test_invalid_instance():
"""Calling make_instance on a non-spec should throw a TypeError."""
not_specs = [MeasurementRun("meas"), Condition("cond"), UniformReal(0, 1, ''), 'foo', 10]
for not_spec in not_specs:
with pytest.raises(TypeError):
make_instance(not_spec)
def make_cake(seed=None, tmpl=None, cake_spec=None):
"""Define all objects that go into making a demo cake."""
import struct
import hashlib
if seed is not None:
random.seed(seed)
######################################################################
# Parent Objects
if tmpl is None:
tmpl = make_cake_templates()
if cake_spec is None:
cake_spec = make_cake_spec(tmpl)
######################################################################
# Objects
cake = make_instance(cake_spec)
operators = ['gwash', 'jadams', 'thomasj', 'jmadison', 'jmonroe']
cake.process.source = PerformedSource(
performed_by=random.choice(operators), performed_date='2015-03-14')
# Replace Abstract/In General
queue = [cake]
while queue:
item = queue.pop(0)
if item.spec.tags is not None:
item.tags = list(item.spec.tags)
if item.spec.notes: # None or empty string
item.notes = 'The spec says "{}"'.format(item.spec.notes)
if isinstance(item, MaterialRun):
item.name = item.name.replace('Abstract ', '')
queue.append(item.process)
elif isinstance(item, ProcessRun):
item.name = item.name.replace(', in General', '')
queue.extend(item.ingredients)
if item.template.name == "Procurement":
item.source = PerformedSource(performed_by='hamilton',
performed_date='2015-02-17')
else:
item.source = cake.process.source
elif isinstance(item, IngredientRun):
queue.append(item.material)
fuzz = 0.95 + 0.1 * random.random()
if item.spec.absolute_quantity is not None:
item.absolute_quantity = \
NormalReal(mean=fuzz * item.spec.absolute_quantity.nominal,
std=0.05 * item.spec.absolute_quantity.nominal,
units=item.spec.absolute_quantity.units)
if item.spec.volume_fraction is not None:
# The only element here is dry mix, and it's almost entirely flour
item.volume_fraction = \
NormalReal(mean=0.01 * (fuzz - 0.5) + item.spec.volume_fraction.nominal,
std=0.005,
units=item.spec.volume_fraction.units)
if item.spec.mass_fraction is not None:
item.mass_fraction = \
UniformReal(lower_bound=(fuzz - 0.05) * item.spec.mass_fraction.nominal,
upper_bound=(fuzz + 0.05) * item.spec.mass_fraction.nominal,
units=item.spec.mass_fraction.units)
if item.spec.number_fraction is not None:
item.number_fraction = \
NormalReal(mean=fuzz * item.spec.number_fraction.nominal,
std=0.05 * item.spec.number_fraction.nominal,
units=item.spec.number_fraction.units)
else:
raise TypeError("Unexpected object in the queue")
frosting = \
next(x.material for x in cake.process.ingredients if 'rosting' in x.name)
baked = \
next(x.material for x in cake.process.ingredients if 'aked' in x.name)
def find_name(name, material):
# Recursively search for the right material
if name == material.name:
return material
for ingredient in material.process.ingredients:
result = find_name(name, ingredient.material)
if result:
return result
return
flour = find_name('Flour', cake)
salt = find_name('Salt', cake)
sugar = find_name('Sugar', cake)
# Add measurements
cake_taste = MeasurementRun(name='Final Taste', material=cake)
cake_appearance = MeasurementRun(name='Final Appearance', material=cake)
frosting_taste = MeasurementRun(name='Frosting Taste', material=frosting)
frosting_sweetness = MeasurementRun(name='Frosting Sweetness',
material=frosting)
baked_doneness = MeasurementRun(name='Baking doneness', material=baked)
flour_content = MeasurementRun(name='Flour nutritional analysis',
material=flour)
salt_content = MeasurementRun(name='Salt elemental analysis',
material=salt)
sugar_content = MeasurementRun(name='Sugar elemental analysis',
material=sugar)
# and spec out the measurements
cake_taste.spec = MeasurementSpec(name='Taste',
template=tmpl['Taste test'])
cake_appearance.spec = MeasurementSpec(name='Appearance')
frosting_taste.spec = cake_taste.spec # Taste
frosting_sweetness.spec = MeasurementSpec(name='Sweetness')
baked_doneness.spec = MeasurementSpec(name='Doneness',
template=tmpl["Doneness"])
flour_content.spec = MeasurementSpec(name='Nutritional analysis',
template=tmpl["Nutritional Analysis"])
salt_content.spec = MeasurementSpec(name='Elemental analysis',
template=tmpl["Elemental Analysis"])
sugar_content.spec = salt_content.spec
for msr in (cake_taste, cake_appearance, frosting_taste,
frosting_sweetness, baked_doneness, flour_content,
salt_content, sugar_content):
msr.spec.add_uid(DEMO_SCOPE, msr.spec.name)
######################################################################
# Let's add some attributes
baked.process.conditions.append(
Condition(name='Cooking time',
template=tmpl['Cooking time'],
origin=Origin.MEASURED,
value=NominalReal(nominal=48, units='min')))
baked.spec.process.conditions.append(
Condition(name='Cooking time',
template=tmpl['Cooking time'],
origin=Origin.SPECIFIED,
value=NormalReal(mean=50, std=5, units='min')))
baked.process.conditions.append(
Condition(name='Oven temperature',
origin="measured",
value=NominalReal(nominal=362, units='degF')))
baked.spec.process.parameters.append(
Parameter(name='Oven temperature setting',
template=tmpl['Oven temperature setting'],
origin="specified",
value=NominalReal(nominal=350, units='degF')))
cake_taste.properties.append(
Property(name='Tastiness',
origin=Origin.MEASURED,
template=tmpl['Tastiness'],
value=UniformInteger(4, 5)))
cake_appearance.properties.append(
Property(name='Visual Appeal',
origin=Origin.MEASURED,
value=NominalInteger(nominal=5)))
frosting_taste.properties.append(
Property(name='Tastiness',
origin=Origin.MEASURED,
template=tmpl['Tastiness'],
value=NominalInteger(nominal=4)))
frosting_sweetness.properties.append(
Property(name='Sweetness (Sucrose-basis)',
origin=Origin.MEASURED,
value=NominalReal(nominal=1.7, units='')))
baked_doneness.properties.append(
Property(name='Toothpick test',
origin="measured",
template=tmpl["Toothpick test"],
value=NominalCategorical("crumbs")))
baked_doneness.properties.append(
Property(name='Color',
origin="measured",
template=tmpl["Color"],
value=DiscreteCategorical({
"Pale": 0.05,
"Golden brown": 0.65,
"Deep brown": 0.3
})))
flour_content.properties.append(
Property(name='Nutritional Information',
value=NominalComposition({
"dietary-fiber":
1 * (0.99 + 0.02 * random.random()),
"sugars":
1 * (0.99 + 0.02 * random.random()),
"other-carbohydrate":
20 * (0.99 + 0.02 * random.random()),
"protein":
4 * (0.99 + 0.02 * random.random()),
"other":
4 * (0.99 + 0.02 * random.random())
}),
template=tmpl["Nutritional Information"],
origin="measured"))
flour_content.conditions.append(
Condition(name='Sample Mass',
value=NormalReal(mean=99 + 2 * random.random(),
std=1.5,
units='mg'),
template=tmpl["Sample Mass"],
origin="measured"))
flour_content.parameters.append(
Parameter(name='Expected Sample Mass',
value=NominalReal(nominal=0.1, units='g'),
template=tmpl["Expected Sample Mass"],
origin="specified"))
flour_content.spec.conditions.append(
Condition(name='Sample Mass',
value=NominalReal(nominal=100, units='mg'),
template=tmpl["Sample Mass"],
origin="specified"))
flour_content.spec.parameters.append(
Parameter(name='Expected Sample Mass',
value=NominalReal(nominal=0.1, units='g'),
template=tmpl["Expected Sample Mass"],
origin="specified"))
salt_content.properties.append(
Property(name="Composition",
value=EmpiricalFormula(
formula="NaClCa0.006Si0.006O0.018K0.000015I0.000015"),
template=tmpl["Chemical Formula"],
origin="measured"))
salt_content.conditions.append(
Condition(name='Sample Mass',
value=NormalReal(mean=99 + 2 * random.random(),
std=1.5,
units='mg'),
template=tmpl["Sample Mass"],
origin="measured"))
salt_content.parameters.append(
Parameter(name='Expected Sample Mass',
value=NominalReal(nominal=0.1, units='g'),
template=tmpl["Expected Sample Mass"],
origin="specified"))
salt_content.spec.conditions.append(
Condition(name='Sample Mass',
value=NominalReal(nominal=100, units='mg'),
template=tmpl["Sample Mass"],
origin="specified"))
sugar_content.properties.append(
Property(
name="Composition",
value=EmpiricalFormula(formula='C11.996H21.995O10.997S0.00015'),
template=tmpl["Chemical Formula"],
origin="measured"))
sugar_content.conditions.append(
Condition(name='Sample Mass',
value=NormalReal(mean=99 + 2 * random.random(),
std=1.5,
units='mg'),
template=tmpl["Sample Mass"],
origin="measured"))
sugar_content.spec.parameters.append(
Parameter(name='Expected Sample Mass',
value=NominalReal(nominal=0.1, units='g'),
template=tmpl["Expected Sample Mass"],
origin="specified"))
# Code to generate quasi-repeatable run annotations
# Note there are potential machine dependencies
md5 = hashlib.md5()
for x in random.getstate()[1]:
md5.update(struct.pack(">I", x))
run_key = md5.hexdigest()
# 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 + run_key))
cake.notes = cake.notes + "; Très délicieux! 😀"
cake.file_links = [
FileLink(
filename="Photo",
url='https://www.landolakes.com/RecipeManagementSystem/media/'
'Recipe-Media-Files/Recipes/Retail/x17/16730-beckys-butter-cake-600x600.jpg?ext=.jpg'
)
]
return cake