update parser

IKZ-Berlin · Jul 15, 2024 · bd66816 · bd66816
1 parent 2eba99a
commit bd66816
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Showing 4 changed files with 383 additions and 4 deletions.
diff --git a/src/nomad_ikz_raman/parsers/ramanparser.py b/src/nomad_ikz_raman/parsers/ramanparser.py
@@ -34,24 +34,42 @@ class RawFileRamanData(EntryData):
 
 
 class RamanParser(MatchingParser):
-    def parse(
+        def parse(
         self,
         mainfile: str,
         archive: 'EntryArchive',
         logger: 'BoundLogger',
         child_archives: dict[str, 'EntryArchive'] = None,
     ) -> None:
         logger.info('RamanParser.parse', parameter=configuration.parameter)
-        # archive.results = Results(material=Material(elements=['H', 'O']))
-
         data_file = mainfile.split('/')[-1]
-        entry = Ramanspectroscopy.m_from_dict(Ramanspectroscopy.m_def)  # .a_template)
+        entry = Ramanspectroscopy() #.m_from_dict(Ramanspectroscopy.m_def.a_template)
         entry.data_file = data_file
+        entry.name = "".join(data_file.split(".")[:-1])
         file_name = f'{"".join(data_file.split(".")[:-1])}.archive.json'
         archive.data = RawFileRamanData(
             measurement=create_archive(entry, archive, file_name)
         )
         archive.metadata.entry_name = f'{data_file} data file'
+    # def parse(
+    #     self,
+    #     mainfile: str,
+    #     archive: 'EntryArchive',
+    #     logger: 'BoundLogger',
+    #     child_archives: dict[str, 'EntryArchive'] = None,
+    # ) -> None:
+    #     logger.info('RamanParser.parse', parameter=configuration.parameter)
+    #     data_file = mainfile.split('/')[-1]
+    #     # entry = Ramanspectroscopy.m_from_dict(
+    #     #     Ramanspectroscopy.m_def.a_template
+    #     # )  # .a_template)
+    #     entry = Ramanspectroscopy()
+    #     entry.data_file = data_file
+    #     file_name = f'{"".join(data_file.split(".")[:-1])}.archive.json'
+    #     archive.data = RawFileRamanData(
+    #         measurement=create_archive(entry, archive, file_name)
+    #     )
+    #     archive.metadata.entry_name = f'{data_file} data file'
 
 
 # if self.data_file is not None:

diff --git a/src/nomad_ikz_raman/schema_packages/raman.py b/src/nomad_ikz_raman/schema_packages/raman.py
@@ -581,6 +581,7 @@ def normalize(self, archive: 'EntryArchive', logger: 'BoundLogger') -> None:
                 raman_dict = read_function(file.name)
                 #    raman_dict = read_function(file.name)  # , logger)
                 # write_function(raman_dict, archive, logger)
+                self.name = file.name.split('/')[-1].split('.xml')[0]
                 self.title = raman_dict.get(
                     'Title',
                 )

diff --git a/src/nomad_ikz_raman/schema_packages/raman_horiba_xml_reader.py b/src/nomad_ikz_raman/schema_packages/raman_horiba_xml_reader.py
@@ -59,6 +59,7 @@ def parse_raman_xml(file_path):
             get_text(root.find(".//LSX[@ID='0x6D746164']/LSX[@ID='0x7D6C61DB']")),
             date_format,
         ),
+        #'Sample':
         'AcquisitionDate':  # datetime.strptime(
         get_text(root.find(".//LSX[@ID='0x7CECDBD7']/LSX/LSX[@ID='0x7D6C61DB']")),
         # date_format,