diff --git a/pes_to_spec/model.py b/pes_to_spec/model.py index d86499c0905f70b50c5872a246555c04b6b53dd8..0e253f28b4a4e4ff20f26d4a481bf729b652dcb7 100644 --- a/pes_to_spec/model.py +++ b/pes_to_spec/model.py @@ -66,7 +66,7 @@ class HighResolutionSmoother(TransformerMixin, BaseEstimator): Returns: The object itself. """ - self.energy = fit_params["energy"] + self.energy = np.copy(fit_params["energy"]) if len(self.energy.shape) == 2: self.energy = self.energy[0,:] return self @@ -536,6 +536,10 @@ class Model(TransformerMixin, BaseEstimator): """Get channels used in training.""" return self.x_model.named_steps["select"].channels + def get_energy_values(self) -> np.ndarray: + """Get x-axis of high-resolution data.""" + return self.y_model.named_steps["smoothen"].energy + def debug_peak_finding(self, low_res_data: Dict[str, np.ndarray], filename: str): """ Produce image to understand if the peak finding step worked well.