adds rastering and annealing metadata incl. UoM's

src/main.py

@@ -297,16 +297,22 @@ def build_nexus_file(pld_fabrication, output_path):
             nx_layer.attrs["NX_class"] = "NXsubentry"
             layer_dict = multilayer_dict[layer]
             # Sub-groups of a layer
+            ## Target
             nx_target = nx_layer.create_group("target")
             nx_target.attrs["NX_class"] = "NXsample"
             target_dict = layer_dict["target"]
+            ## Rastering and Annealing
             nx_laser_rastering = nx_layer.create_group("laser_rastering")
-            nx_pre_annealing = nx_layer.create_group("pre_annealing")
-            nx_post_annealing = nx_layer.create_group("post_annealing")
             nx_laser_rastering.attrs["NX_class"] = "NXprocess"
+            rastering_dict = layer_dict["laser_rastering"]
+            nx_pre_annealing = nx_layer.create_group("pre_annealing")
             nx_pre_annealing.attrs["NX_class"] = "NXprocess"
+            pre_ann_dict = layer_dict["pre_annealing"]
+            nx_post_annealing = nx_layer.create_group("post_annealing")
             nx_post_annealing.attrs["NX_class"] = "NXprocess"
+            post_ann_dict = layer_dict["post_annealing"]
 
+            ## Target metadata
             try:
                 nx_target.create_dataset("name", data = target_dict["name"])
                 nx_target.create_dataset("chemical_formula", data = target_dict["chemical_formula"])
@@ -320,6 +326,7 @@ def build_nexus_file(pld_fabrication, output_path):
                 nx_target.create_dataset("batch_id", data = target_dict["batch_id"])
             except TypeError as te:
                 raise TypeError(te)
+            ## Other layer-specific metadata
             try:
                 nx_layer.create_dataset("start_time", data = layer_dict["start_time"])
                 nx_layer.create_dataset("operator", data = layer_dict["operator"])
@@ -346,6 +353,34 @@ def build_nexus_file(pld_fabrication, output_path):
                 nx_layer["laser_energy"].attrs["units"] = layer_dict["laser_energy"]["units"]
             except TypeError as te:
                 raise TypeError(te)
+            ## Rastering metadata
+            try:
+                nx_laser_rastering.create_dataset("geometry", data = rastering_dict["geometry"])
+                nx_laser_rastering.create_dataset("positions", data = rastering_dict["positions"])
+                nx_laser_rastering.create_dataset("velocities", data = rastering_dict["velocities"])
+            except TypeError as te:
+                raise TypeError(te)
+            ## Annealing metadata
+            try:
+                nx_pre_annealing.create_dataset("ambient_gas", data = pre_ann_dict["ambient_gas"])
+                nx_pre_annealing.create_dataset("pressure", data = pre_ann_dict["pressure"]["value"])
+                nx_pre_annealing["pressure"].attrs["units"] = pre_ann_dict["pressure"]["units"]
+                nx_pre_annealing.create_dataset("temperature", data = pre_ann_dict["temperature"]["value"])
+                nx_pre_annealing["temperature"].attrs["units"] = pre_ann_dict["temperature"]["units"]
+                nx_pre_annealing.create_dataset("duration", data = pre_ann_dict["duration"]["value"])
+                nx_pre_annealing["duration"].attrs["units"] = pre_ann_dict["duration"]["units"]
+            except TypeError as te:
+                raise TypeError(te)
+            try:
+                nx_post_annealing.create_dataset("ambient_gas", data = post_ann_dict["ambient_gas"])
+                nx_post_annealing.create_dataset("pressure", data = post_ann_dict["pressure"]["value"])
+                nx_post_annealing["pressure"].attrs["units"] = post_ann_dict["pressure"]["units"]
+                nx_post_annealing.create_dataset("temperature", data = post_ann_dict["temperature"]["value"])
+                nx_post_annealing["temperature"].attrs["units"] = post_ann_dict["temperature"]["units"]
+                nx_post_annealing.create_dataset("duration", data = post_ann_dict["duration"]["value"])
+                nx_post_annealing["duration"].attrs["units"] = post_ann_dict["duration"]["units"]
+            except TypeError as te:
+                raise TypeError(te)
     return
 
 if __name__=="__main__":