fix: move refinement params dict to start metadata

pdf_agents/agents.py

@@ -34,6 +34,7 @@ def __init__(
         roi: Optional[Tuple] = None,
         norm_region: Optional[Tuple] = None,
         offline=False,
+        metadata=None,
         **kwargs,
     ):
         if offline:
@@ -75,6 +76,8 @@ def __init__(
             roi_key=self.roi_key,
             roi=self.roi,
         )
+        metadata = metadata or {}
+        md.update(metadata)
         super().__init__(*args, metadata=md, **_default_kwargs)
 
     def measurement_plan(self, point: ArrayLike) -> Tuple[str, List, Dict]:

pdf_agents/gsas.py

@@ -49,6 +49,7 @@ def __init__(
         cif_paths: List[Union[str, Path]],
         refinement_params: List[dict],
         inst_param_path: Union[str, Path],
+        metadata: dict = None,
         **kwargs,
     ):
         self._cif_paths = cif_paths
@@ -57,7 +58,9 @@ def __init__(
         self._recent_x = None
         self._recent_y = None
         self._recent_uid = None
-        super().__init__(**kwargs)
+        metadata = metadata or {}
+        metadata.update(refinement_params)
+        super().__init__(metadata=metadata, **kwargs)
         self.report_on_tell = True
 
     @property
@@ -184,7 +187,6 @@ def report(self) -> Dict[str, ArrayLike]:
             observable=self._recent_y,
             cif_paths=self.cif_paths,
             inst_param_path=self.inst_param_path,
-            refinement_params=self.refinement_params,
             gsas_rwps=np.array(gsas_rwps),
             gsas_ycalcs=np.stack(gsas_ycalcs),
             gsas_ydiffs=np.stack(gsas_ydiffs),

pdf_agents/startup_scripts/mmm5-tax-day/gsas.py

@@ -22,7 +22,7 @@
 
 report_producer = RefinementAgent.get_default_producer()
 
-    
+
 agent = RefinementAgent(
     # GSAS Args
     cif_paths=["/src/pdf-agents/assets/fcc.cif"],