def molecular_weight(self):
"""The molecular weight of the species. (Note: value_si is in kg/molecule not kg/mol)"""
if self._molecular_weight is None and self.molecule is not None and len(
self.molecule) > 0:
self._molecular_weight = quantity.Mass(
self.molecule[0].get_molecular_weight(), 'kg/mol')
return self._molecular_weight
def test_amu(self):
"""
Test the creation of a mass quantity with units of amu.
"""
q = quantity.Mass(1.0, "amu")
self.assertAlmostEqual(q.value, 1.0, 6)
self.assertAlmostEqual(q.value_si, constants.amu, delta=1e-32)
self.assertEqual(q.units, "amu")
def test_kg(self):
"""
Test the creation of a mass quantity with units of kg.
"""
q = quantity.Mass(1.0, "kg")
self.assertAlmostEqual(q.value, 1.0, 6)
self.assertAlmostEqual(q.value_si, 1.0, delta=1e-6)
self.assertEqual(q.units, "kg")
def test_kgpermol(self):
"""
Test the creation of a mass quantity with units of kg/mol.
Note that kg/mol is automatically coerced to amu.
"""
q = quantity.Mass(1.0, "kg/mol")
self.assertAlmostEqual(q.value, 1000.0, 3)
self.assertAlmostEqual(q.value_si, 1000. * constants.amu, delta=1e-29)
self.assertEqual(q.units, "amu")
def molecular_weight(self, value):
self._molecular_weight = quantity.Mass(value)
def setMolecularWeight(self, value):
self._molecularWeight = quantity.Mass(value)
