def test_solver_should_be_solved(self):
solver = single_electron.EigenSolver(self.grids, self.potential_fn)
# The solver is not solved.
with self.assertRaisesRegexp(ValueError,
r'Input solver is not solved.'):
single_electron.solved_1dsolver_to_example(solver,
self.potential_params)
def test_example_output(self):
solver = single_electron.EigenSolver(self.grids, self.potential_fn)
solver.solve_ground_state()
example = single_electron.solved_1dsolver_to_example(
solver, self.potential_params)
self.assertLen(example.features.feature['density'].float_list.value,
10)
self.assertLen(example.features.feature['potential'].float_list.value,
10)
np.testing.assert_allclose(
example.features.feature['kinetic_energy'].float_list.value,
[0.82937312])
np.testing.assert_allclose(
example.features.feature['total_energy'].float_list.value,
[0.07467839])
np.testing.assert_allclose(
example.features.feature['dx'].float_list.value,
# dx = (1 + 1) / (10 - 1)
[0.2222222222])
np.testing.assert_allclose(
example.features.feature['mu'].float_list.value,
self.potential_params['mu'])
np.testing.assert_allclose(
example.features.feature['sigma'].float_list.value,
self.potential_params['sigma'])
np.testing.assert_allclose(
example.features.feature['coeff'].float_list.value,
self.potential_params['coeff'])