def setUp(self):
self.flow_rate_vol = UnitScalar(1., units="liter/minute")
self.flow_rate_lin = UnitScalar(1., units="cm/minute")
column_type = ColumnType(**COLUMN_TYPE_DATA)
self.column = Column(column_type=column_type, **COLUMN_DATA)
self.column.column_type.diameter = UnitScalar(10, units='cm')
self.column.column_type.bed_height_range = UnitArray([10., 30.],
units="cm")
self.column.volume = UnitScalar(1, units='liter')
def setUp(self):
# Manual construction
column_type = ColumnType(**COLUMN_TYPE_DATA)
resin = Resin(**RESIN_DATA)
column = Column(column_type=column_type, resin=resin, **COLUMN_DATA)
method = Method(**METHOD_DATA)
self.sim_from_scratch = Simulation(name='Sim1',
column=column,
method=method,
output=None)
self.sim_from_std_exp = make_sample_simulation()
def setUp(self):
# Manual construction
column_type = ColumnType(**COLUMN_TYPE_DATA.copy())
resin = Resin(**RESIN_DATA.copy())
column = Column(column_type=column_type,
resin=resin,
**COLUMN_DATA.copy())
method = Method(**deepcopy(METHOD_DATA))
self.sim_from_scratch = Simulation(name='Sim1',
column=column,
method=method,
output=None)
self.expected_sec_times = array([0., 540., 1080., 1620., 7668.])
def make_sample_experiment(name='Run 1'):
""" Make a sample experiment for testing purposes from example data.
"""
from kromatography.model.column import Column, ColumnType
from kromatography.model.resin import Resin
from kromatography.model.method import Method
from kromatography.model.system import System, SystemType
from kromatography.model.experiment import Experiment
from kromatography.model.tests.example_model_data import COLUMN_TYPE_DATA,\
COLUMN_DATA, METHOD_DATA, RESIN_DATA, SYSTEM_TYPE_DATA, SYSTEM_DATA
column_type = ColumnType(**COLUMN_TYPE_DATA)
resin = Resin(**RESIN_DATA)
column = Column(column_type=column_type, resin=resin, **COLUMN_DATA)
system_type = SystemType(**SYSTEM_TYPE_DATA)
system = System(system_type=system_type, **SYSTEM_DATA)
method = Method(**METHOD_DATA)
expr = Experiment(
name=name, system=system, column=column, method=method,
output=None
)
return expr
def test_invalid_construction(self):
with self.assertRaises(ValueError):
self.column = Column()
def setUp(self):
self.column_type = ColumnType(**COLUMN_TYPE_DATA)
self.resin = Resin(**RESIN_DATA)
self.column = Column(column_type=self.column_type,
resin=self.resin,
**COLUMN_DATA)