def test_stog_apply_lorch_with_plot_flag(self, mock_show): # Load S(Q) for Argon from test data stog = StoG(**self.kwargs_for_stog_input) stog.files = self.kwargs_for_files['Files'] stog.plot_flag = True stog.read_all_data() stog.merge_data() stog.transform_merged() q, sq, r, gr = stog.fourier_filter() stog.apply_lorch(q, sq, r) mock_show.assert_called_with()
def test_stog_apply_lorch_default(self): # Number of decimal places for precision places = 5 # Load S(Q) for Argon from test data stog = StoG(**self.kwargs_for_stog_input) stog.files = self.kwargs_for_files['Files'] stog.plot_flag = False stog.read_all_data() stog.merge_data() stog.transform_merged() q, sq, r, gr = stog.fourier_filter() stog.apply_lorch(q, sq, r) self.assertAlmostEqual( stog.df_gr_master.iloc[self.real_space_first][stog.gr_lorch_title], self.gofr_lorch_target[0], places=places)