use dynamic maldi msms mode key instead of hardcoded key

gtluu · Jun 3, 2024 · e1d72c6 · e1d72c6
1 parent 09e5b66
commit e1d72c6
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Showing 2 changed files with 10 additions and 13 deletions.
diff --git a/pyTDFSDK/classes.py b/pyTDFSDK/classes.py
@@ -280,12 +280,10 @@ def get_maldi_tsf_data(self):
                 self.ms_level = 1
             # MS/MS
             elif int(frames_dict['MsMsType']) in [2, 8, 9]:
-                if self.tsf_data.analysis['GlobalMetadata']['AcquisitionSoftwareVersion'] == '5.0.9':
-                    msms_mode = self.tsf_data.analysis['Properties'][(self.tsf_data.analysis['Properties']['Frame'] == self.frame) &
-                                                                     (self.tsf_data.analysis['Properties']['Property'] == 124)].to_dict(orient='records')[0]['Value']
-                else:
-                    msms_mode = self.tsf_data.analysis['Properties'][(self.tsf_data.analysis['Properties']['Frame'] == self.frame) &
-                                                                     (self.tsf_data.analysis['Properties']['Property'] == 41)].to_dict(orient='records')[0]['Value']
+                msms_mode_id = self.tsf_data.analysis['PropertyDefinitions'][(self.tsf_data.analysis['PropertyDefinitions']['PermanentName'] ==
+                                                                             'Mode_ScanMode')].to_dict(orient='records')[0]['Id']
+                msms_mode = self.tsf_data.analysis['Properties'][(self.tsf_data.analysis['Properties']['Frame'] == self.frame) &
+                                                                 (self.tsf_data.analysis['Properties']['Property'] == msms_mode_id)].to_dict(orient='records')[0]['Value']
                 framemsmsinfo_dict = self.tsf_data.analysis['FrameMsMsInfo'][self.tsf_data.analysis['FrameMsMsInfo']['Frame'] ==
                                                                              self.frame].to_dict(orient='records')[0]
                 # MALDI MS/MS, coded as MRM in the schema
@@ -630,12 +628,11 @@ def get_maldi_tdf_data(self):
                 self.scan_type = 'MS1 spectrum'
                 self.ms_level = 1
             elif int(frames_dict['MsMsType']) in [2, 8, 9]:
-                if self.tdf_data.analysis['GlobalMetadata']['AcquisitionSoftwareVersion'] == '5.0.9':
-                    msms_mode = self.tdf_data.analysis['Properties'][(self.tdf_data.analysis['Properties']['Frame'] == self.frame) &
-                                                                     (self.tdf_data.analysis['Properties']['Property'] == 124)].to_dict(orient='records')[0]['Value']
-                else:
-                    msms_mode = self.tdf_data.analysis['Properties'][(self.tdf_data.analysis['Properties']['Frame'] == self.frame) &
-                                                                     (self.tdf_data.analysis['Properties']['Property'] == 41)].to_dict(orient='records')[0]['Value']
+                msms_mode_id = self.tdf_data.analysis['PropertyDefinitions'][self.tdf_data.analysis['PropertyDefinitions']['PermanentName'] ==
+                                                                             'Mode_ScanMode'].to_dict(orient='records')[0]['Id']
+                msms_mode = self.tdf_data.analysis['Properties'][(self.tdf_data.analysis['Properties']['Frame'] == self.frame) &
+                                                                 (self.tdf_data.analysis['Properties']['Property'] == msms_mode_id)].to_dict(orient='records')[0][
+                    'Value']
                 framemsmsinfo_dict = self.tdf_data.analysis['FrameMsMsInfo'][self.tdf_data.analysis['FrameMsMsInfo']['Frame'] ==
                                                                              maldiframeinfo_dict['Frame']].to_dict(orient='records')[0]
                 # MALDI MS/MS, coded as MRM in the schema

diff --git a/setup.py b/setup.py
@@ -1,7 +1,7 @@
 from setuptools import setup
 
 setup(name='pyTDFSDK',
-      version='0.3.7',
+      version='0.3.8',
       description='Python wrapper for Bruker TDF-SDK',
       url='https://github.com/gtluu/pyTDFSDK',
       author='Gordon T. Luu',