Add method to insert manual samples into the database

Introduce `create_manual_sample` method to handle the creation of manual samples using `SampleShortInfo`. This includes optional handling of data collection parameters and integrates with the existing API for database insertion.

daq/src/aaredaq/aaredb.py

@@ -68,12 +68,11 @@ class AareWrapper:
         print(ret)
 
     def create_manual_sample(
-        self,
-        s: SampleShortInfo,
-        p: SessionStatus,
-        cellparameters: Optional[str] = None,
-        spacegroupnumber: Optional[int] = None,
-
+            self,
+            s: SampleShortInfo,
+            p: SessionStatus,
+            cellparameters: Optional[str] = None,
+            spacegroupnumber: Optional[int] = None,
     ) -> Optional[object]:
         """
         Insert a new manual sample into the database using a SampleShortInfo object.
@@ -81,19 +80,25 @@ class AareWrapper:
         Args:
             s (SampleShortInfo): The sample info object to extract data from.
             p (SessionStatus): The session status object to extract data from.
+            cellparameters (Optional[str]): Unit cell parameters as a string.
+            spacegroupnumber (Optional[int]): Space group number.
 
         Returns:
             API response object or None if there was an error.
         """
         from aareDBclient.models import ManualSampleCreate, DataCollectionParameters
-        data_collection_parameters = DataCollectionParameters(
-            cellparameters="76.79, 76.79, 37.8, 90.0, 90.0, 90.0",
-            spacegroupnumber=96
-        )
+
+        data_collection_parameters = None
+        if cellparameters is not None and spacegroupnumber is not None:
+            data_collection_parameters = DataCollectionParameters(
+                cellparameters=cellparameters,
+                spacegroupnumber=spacegroupnumber
+            )
+
         manual_sample = ManualSampleCreate(
             pgroup=p.current_pgroup,
             sample_name=s.sample_name,
-            data_collection_parameters=data_collection_parameters,
+            data_collection_parameters=data_collection_parameters
         )
 
         try: