Added element information to the return dict.

mrakitin · May 29, 2017 · e2e379c · e2e379c
1 parent bc5cf86
commit e2e379c
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Showing 2 changed files with 2 additions and 1 deletion.
diff --git a/bnlcrl/delta_finder.py b/bnlcrl/delta_finder.py
@@ -52,6 +52,7 @@ def __init__(self, **kwargs):
         self.method = None  # can be 'file', 'server', 'calculation'
         self.output = None
         self.elements = self.formula.split(',')
+        self.element = self.elements[-1]
 
         if self.outfile:
             self.save_to_file()
@@ -82,7 +83,6 @@ def __init__(self, **kwargs):
             return_dict = {}
             for k in d['cli_functions']['find_delta']['returns']:
                 return_dict[k] = getattr(self, k)
-            return_dict['element'] = self.elements[-1]
             file_name = '{}.json'.format(self._output_file_name(self.elements, self.characteristic))
             with open(file_name, 'w') as f:
                 json.dump(return_dict, f)

diff --git a/bnlcrl/package_data/json/defaults_delta.json b/bnlcrl/package_data/json/defaults_delta.json
@@ -8,6 +8,7 @@
                 "characteristic",
                 "characteristic_value",
                 "closest_energy",
+                "element",
                 "method"
             ]
         }