new netcdf data plugin (#31)

aiida_flexpart/data/nc_data.py

@@ -0,0 +1,44 @@
+import os
+from aiida.orm import RemoteData
+from netCDF4 import Dataset
+
+class NetCDFData(RemoteData):
+
+    def __init__(self, filepath=None, remote_path=None, **kwargs):
+        """
+        Data plugin for Netcdf files.
+        """
+        super().__init__(**kwargs)
+        if filepath is not None:
+            filename = os.path.basename(filepath)
+            self.set_remote_path(remote_path)
+            self.set_filename(filename)
+
+            # open and read as NetCDF
+            nc_file = Dataset(filepath, mode="r")
+            self.set_global_attributes(nc_file)
+
+    def set_filename(self, val):
+        self.base.attributes.set("filename", val)
+
+    def set_global_attributes(self, nc_file):
+
+        g_att = {}
+        for a in nc_file.ncattrs():
+            g_att[a] = repr(nc_file.getncattr(a))
+        self.base.attributes.set("global_attributes", g_att)
+
+        nc_dimensions = {i: len(nc_file.dimensions[i]) for i in nc_file.dimensions}
+        self.base.attributes.set("dimensions", nc_dimensions)
+
+    def ncdump(self):
+        """
+        Small python version of ncdump.
+        """
+        print("dimensions:")
+        for k, v in self.base.attributes.get("dimensions").items():
+            print("\t%s =" % k, v)
+
+        print("// global attributes:")
+        for k, v in self.base.attributes.get("global_attributes").items():
+            print("\t:%s =" % k, v)

pyproject.toml

@@ -65,6 +65,10 @@ docs = [
 [project.entry-points."aiida.workflows"]
 "flexpart.multi_dates" = "aiida_flexpart.workflows.multi_dates_workflow:FlexpartMultipleDatesWorkflow"
 
+[project.entry-points."aiida.data"]
+"netcdf.data" = "aiida_flexpart.data.nc_data:NetCDFData"
+
+
 [tool.pylint.format]
 max-line-length = 125