Restructured code to use classes compatible with joblib and minimize hacks when saving

pes_to_spec/model.py

@@ -518,7 +518,7 @@ class Model(TransformerMixin, BaseEstimator):
 
         # calculate the effect of the PCA
         high_res = self.y_model['smoothen'].transform(high_res_data)
-        high_pca = self.y_model.transform(high_res_data)
+        high_pca = self.y_model['pca'].transform(high_res)
         high_pca_rec = self.y_model['pca'].inverse_transform(high_pca)
         high_pca_unc = np.sqrt(np.mean((high_res - high_pca_rec)**2, axis=0, keepdims=True))
         self.y_model['unc'].set_uncertainty(high_pca_unc)