Expand sample data handling and grid display.

Integrated additional sample parameters into backend and frontend for enhanced data collection. Updated pyproject version to reflect these changes. This improves user interface flexibility and enriches displayed sample metadata.

backend/app/routers/dewar.py

@@ -330,35 +330,12 @@ async def get_dewar_samples(dewar_id: int, db: Session = Depends(get_db)):
                     {
                         "id": sample.id,
                         "position": sample.position,
-                        "dewar_name": dewar.dewar_name,  # Add Dewar name here
+                        "dewar_name": dewar.dewar_name,
                         "sample_name": sample.sample_name,
                         "priority": sample.priority,
                         "comments": sample.comments,
-                        # "directory":sample.directory,
                         "proteinname": sample.proteinname,
-                        # "oscillation": datacollection.oscillation,
+                        **(sample.data_collection_parameters or {}),
-                        # "aperture": 10,
-                        # "exposure": 11,
-                        # "totalrange": 12,
-                        # "transmission": 13,
-                        # "dose": 14,
-                        # "targetresolution": 15,
-                        # "datacollectiontype": 16,
-                        # "processingpipeline": 17,
-                        # "spacegroupnumber": 18,
-                        # "cellparameters": 19,
-                        # "rescutkey": 20,
-                        # "rescutvalue": 21,
-                        # "userresolution": 22,
-                        # "pdbid": 23,
-                        # "autoprocfull": 24,
-                        # "procfull": 25,
-                        # "adpenabled": 26,
-                        # "noano": 27,
-                        # "ffcscampaign": 28,
-                        # "trustedhigh": 29,
-                        # "autoprocextraparams": 30,
-                        # "chiphiangles": 31,
                     }
                     for sample in samples
                 ],

frontend/src/components/SampleSpreadsheetGrid.tsx

@@ -37,14 +37,33 @@ const SampleSpreadsheet: React.FC<SampleSpreadsheetProps> = ({ dewarId }) => {
                     proteinName: sample.proteinname,
                     priority: sample.priority,
                     comments: sample.comments,
+                    directory: sample.directory,
+                    oscillation: sample.oscillation,
+                    aperture: sample.aperture,
+                    exposure: sample.exposure,
+                    totalRange: sample.totalrange,
+                    transmission: sample.transmission,
+                    dose: sample.dose,
+                    targetResolution: sample.targetresolution,
+                    datacollectiontype: sample.datacollectiontype,
+                    processingpipeline: sample.processingpipeline,
+                    spacegroupnumber: sample.spacegroupnumber,
+                    cellparameters: sample.cellparameters,
+                    rescutkey: sample.rescutkey,
+                    //rescutvalues: sample.rescutvalues,
+                    pdbid: sample.pdbid,
+                    autoprocfull: sample.autoprocfull,
+                    procfull: sample.procfull,
+                    adpenabled: sample.adpenabled,
+                    noano: sample.noano,
+                    ffcscampaign: sample.ffcscampaign,
                 });
             });
         });
         setRows(allRows);
 
-        // Define table columns if not already set
         setColumns([
-            { field: "dewarName", headerName: "Dewar Name", width: 150, editable: false }, // Display Dewar Name
+            { field: "dewarName", headerName: "Dewar Name", width: 150, editable: false },
             { field: "puckName", headerName: "Puck Name", width: 150 },
             { field: "puckType", headerName: "Puck Type", width: 150 },
             { field: "crystalName", headerName: "Crystal Name", width: 200, editable: true },
@@ -52,6 +71,25 @@ const SampleSpreadsheet: React.FC<SampleSpreadsheetProps> = ({ dewarId }) => {
             { field: "position", headerName: "Position", width: 100, editable: true, type: "number" },
             { field: "priority", headerName: "Priority", width: 100, editable: true, type: "number" },
             { field: "comments", headerName: "Comments", width: 300, editable: true },
+            { field: "directory", headerName: "Directory", width: 200 },
+            { field: "oscillation", headerName: "Oscillation", width: 150, editable: true, type: "number" },
+            { field: "aperture", headerName: "Aperture", width: 150, editable: true, type: "number" },
+            { field: "exposure", headerName: "Exposure", width: 150, editable: true, type: "number" },
+            { field: "totalRange", headerName: "Total Range", width: 150, editable: true, type: "number" },
+            { field: "transmission", headerName: "Transmission", width: 150, editable: true, type: "number" },
+            { field: "dose", headerName: "Dose", width: 150, editable: true, type: "number" },
+            { field: "targetResolution", headerName: "Target Resolution", width: 200, editable: true, type: "number" },
+            { field: "datacollectiontype", headerName: "Data Collection Type", width: 200 },
+            { field: "processingpipeline", headerName: "Processing Pipeline", width: 200 },
+            { field: "spacegroupnumber", headerName: "Space Group Number", width: 150, type: "number" },
+            { field: "cellparameters", headerName: "Cell Parameters", width: 200 },
+            { field: "rescutkey", headerName: "Rescut Key", width: 150 },
+            { field: "pdbid", headerName: "PDB ID", width: 150 },
+            { field: "autoprocfull", headerName: "Auto Proc Full", width: 150 },
+            { field: "procfull", headerName: "Proc Full", width: 150 },
+            { field: "adpenabled", headerName: "ADP Enabled", width: 150, editable: true, type: "boolean" },
+            { field: "noano", headerName: "No Ano", width: 150, editable: true, type: "boolean" },
+            { field: "ffcscampaign", headerName: "FFCS Campaign", width: 200 },
         ]);
     } catch (error) {
         console.error("Error fetching dewar samples:", error);

pyproject.toml

@@ -4,7 +4,7 @@ build-backend = "setuptools.build_meta"
 
 [project]
 name = "aareDB"
-version = "0.1.0a9"
+version = "0.1.0a10"
 description = "Backend for next gen sample management system"
 authors = [{name = "Guillaume Gotthard", email = "guillaume.gotthard@psi.ch"}]
 license = {text = "MIT"}