Пример #1
0
 def test_class_method(self):
     template = PotentialTemplateLibrary()['HarmonicBondPotential']
     params = {'k': 1.0 * u.dimensionless, 'r_eq': 1.0 * u.dimensionless}
     harmonic_potential_from_template = Potential.from_template(
         template, params)
     harmonic_potential = Potential(name='HarmonicBondPotential',
                                    expression='0.5 * k * (r-r_eq)**2',
                                    independent_variables={'r'},
                                    parameters=params,
                                    template=False)
     assert harmonic_potential.name == harmonic_potential_from_template.name
     assert harmonic_potential.expression == harmonic_potential_from_template.expression
     assert harmonic_potential.independent_variables == harmonic_potential_from_template.independent_variables
Пример #2
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 def test_class_method_with_error(self):
     template = object()
     with pytest.raises(GMSOError):
         Potential.from_template(template, parameters=None)