update generate_api

FAIRChemistry · Mar 5, 2024 · be9dc26 · be9dc26
1 parent 9b99b71
commit be9dc26
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Showing 2 changed files with 10 additions and 15 deletions.
diff --git a/.github/workflows/generate_api.yaml b/.github/workflows/generate_api.yaml
@@ -8,9 +8,7 @@ jobs:
     steps:
     - uses: actions/checkout@v2
     - name: Generate sdRDM library
-      uses: JR-1991/generate-sdrdm-api@v3
-      with:
-        library_name: "FAIRFlowChemistry"
-        schema_path: "./specifications/datamodel.md"
-        schema: "true"
-        branch: "main"
+        uses: JR-1991/[email protected]
+        with:
+          library_name: "FAIRFlowChemistry"
+          schema_path: "./specifications/datamodel.md"
diff --git a/Main.ipynb b/Main.ipynb
@@ -205,7 +205,7 @@
     "        str(root)+'/data/Rohdaten/7.1_nm_OMC_washing/GC_Data/230706-3-CV-PEG20-068-GTA25-washing/JH-1H 2023-07-06 12-32-22/NV-F0104.D/report00.CSV',\n",
     "        str(root)+'/data/Rohdaten/7.1_nm_OMC_washing/GC_Data/230706-3-CV-PEG20-068-GTA25-washing/JH-1H 2023-07-06 12-32-22/NV-F0104.D/REPORT01.CSV']\n",
     "\n",
-    "e_chem = str(root)+'/data/Rohdaten/9.2_nm/Gammry_Data/230705-1-CV-PEG35-052-GTA25/GSTATIC.DTA'\n",
+    "e_chem = [str(root)+'/data/Rohdaten/9.2_nm/Gammry_Data/230705-1-CV-PEG35-052-GTA25/GSTATIC.DTA']\n",
     "mfm    = [str(root)+'/data/Rohdaten/9.2_nm/MFM_Data/1-CV-PEG35-052-GTA25/GSS_1-CV-PEG35-052-GTA25_200_20c_1h.csv',\n",
     "          str(root)+'/data/Rohdaten/9.2_nm/MFM_Data/2-CV-PEG35-052-GTA25/GSS_2-CV-PEG35-052-GTA25_200_20c_1h.csv',]\n",
     "gc     = [str(root)+'/data/Rohdaten/9.2_nm/GC_Data/230705-1-CV-PEG35-052-GTA25/JH-1H 2023-07-05 18-32-59/NV-F0102.D/report00.CSV',\n",
@@ -222,24 +222,21 @@
     "        str(root)+'/data/Rohdaten/9.2_nm/GC_Data/230705-2-CV-PEG35-052-GTA25/JH-1H 2023-07-05 20-04-01/NV-F0104.D/report00.CSV',\n",
     "        str(root)+'/data/Rohdaten/9.2_nm/GC_Data/230705-2-CV-PEG35-052-GTA25/JH-1H 2023-07-05 20-04-01/NV-F0104.D/REPORT01.CSV']\n",
     "\n",
-    "e_chem = str(root)+'/data/raw_data/01_EChem/CAD14-Cu@AB/GSTATIC.DTA'\n",
+    "e_chem = [str(root)+'/data/raw_data/01_EChem/CAD14-Cu@AB/GSTATIC.DTA']\n",
     "mfm    = [str(root)+'/data/raw_data/03_MFM/CAD14-Cu@AB/Bench-2h-GSS_CAD14-Cu@AB_200_50c_24h_truncated.csv']\n",
     "gc     = [str(root)+'/data/raw_data/02_GC/CAD14-Cu@AB/JH-1H 2023-02-06 10-00-18/NV-F0102.D/report00.CSV',\n",
     "        str(root)+'/data/raw_data/02_GC/CAD14-Cu@AB/JH-1H 2023-02-06 10-00-18/NV-F0102.D/REPORT01.CSV',\n",
     "        str(root)+'/data/raw_data/02_GC/CAD14-Cu@AB/JH-1H 2023-02-06 10-00-18/NV-F0103.D/report00.CSV',\n",
     "        str(root)+'/data/raw_data/02_GC/CAD14-Cu@AB/JH-1H 2023-02-06 10-00-18/NV-F0103.D/REPORT01.CSV',\n",
     "        str(root)+'/data/raw_data/02_GC/CAD14-Cu@AB/JH-1H 2023-02-06 10-00-18/NV-F0104.D/report00.CSV',\n",
     "        str(root)+'/data/raw_data/02_GC/CAD14-Cu@AB/JH-1H 2023-02-06 10-00-18/NV-F0104.D/REPORT01.CSV']\n",
-    "calib  = str(root)+'/data/additional_data/calibration.json'\n",
-    "correc = str(root)+'/data/additional_data/correction_factors.json'\n",
-    "farada = str(root)+'/data/additional_data/faraday_coefficients.json'\n",
+    "species = [str(root)+'/data/additional_data/species_data.yaml']\n",
     "\n",
-    "rrdw.galvano_files.value = [e_chem]\n",
+    "\n",
+    "rrdw.galvano_files.value = e_chem\n",
     "rrdw.MFM_files.value   = mfm\n",
     "rrdw.GC_files.value    = gc\n",
-    "rrdw.calib_files.value = [calib]\n",
-    "rrdw.correction_files.value = [correc]\n",
-    "rrdw.faraday_files.value    = [farada]"
+    "rrdw.species_file.value = species"
    ]
   },
   {