feat WIP: read lcms and transform to jcamp

chem_spectra/controller/transform_api.py

@@ -13,6 +13,7 @@
 )
 
 from chem_spectra.model.transformer import TransformerModel as TraModel
+from chem_spectra.lib.composer.lcms import LCMSComposer
 from chem_spectra.lib.converter.bagit.base import BagItBaseConverter
 from chem_spectra.model.molecule import MoleculeModel
 
@@ -62,6 +63,52 @@ def zip_jcamp_n_img():
                 )
             )
             rsp.headers['X-Extra-Info-JSON'] = json.dumps({'spc_type': 'bagit', 'invalid_molfile': invalid_molfile})
+        elif isinstance(cmpsr, LCMSComposer):
+            # check if composered model is hplc ms
+            # list_jcamps, list_images, list_csv, combined_image = cmpsr.data, cmpsr.images, cmpsr.list_csv, cmpsr.combined_image
+            # dst_list = []
+            # for idx in range(len(list_jcamps)):
+            #     tf_jcamp = list_jcamps[idx]
+            #     tf_img = list_images[idx]
+            #     tf_csv = list_csv[idx]
+            #     tf_arr = [tf_jcamp, tf_img, tf_csv]
+            #     dst_list.append(tf_arr)
+
+            # if combined_image is not None:
+            #     dst_list.append(combined_image)
+
+            # memory = to_zip_bag_it_response(dst_list)
+            # rsp = make_response(
+            #     send_file(
+            #         memory,
+            #         download_name='spectrum.zip',
+            #         as_attachment=True
+            #     )
+            # )
+            # rsp.headers['X-Extra-Info-JSON'] = json.dumps({'spc_type': 'bagit', 'invalid_molfile': invalid_molfile})
+            list_jcamps = cmpsr.data
+            dst_list = [[list_jcamps[0]], [list_jcamps[1]], [list_jcamps[2]]]
+            print(dst_list)
+            # dst_list = []
+            # for idx in range(len(list_jcamps)):
+            #     tf_jcamp = list_jcamps[idx]
+            #     tf_img = list_images[idx]
+            #     tf_csv = list_csv[idx]
+            #     tf_arr = [tf_jcamp, tf_img, tf_csv]
+            #     dst_list.append(tf_arr)
+
+            # if combined_image is not None:
+            #     dst_list.append(combined_image)
+
+            memory = to_zip_bag_it_response(dst_list)
+            rsp = make_response(
+                send_file(
+                    memory,
+                    download_name='spectrum.zip',
+                    as_attachment=True
+                )
+            )
+            rsp.headers['X-Extra-Info-JSON'] = json.dumps({'spc_type': 'bagit', 'invalid_molfile': False})
         elif isinstance(cmpsr, collections.abc.Sequence):
             dst_list = []
             spc_type = ''

chem_spectra/lib/composer/base.py

@@ -136,6 +136,7 @@ def generate_original_metadata(self):
             )
         content.append('\n\n')
         return content
+
     def gen_ending(self):
         return [
             '##END=\n',