Merge pull request #6 from joshgabriel/development

add a function to insert documents to the mongodb

benchmark-view/non_flask_query_mongo.py

@@ -7,8 +7,22 @@
 
 db = client['benchmark']
 
+# the default collection 'evk' for energy
 def_coll = db.evk
 
+def add_dframe(dset):
+   """
+   extra feature to add: do not add duplicates
+   """
+   count = 0
+   total = len(list(enumerate(dset.iterrows())))
+   for n,(index,row) in enumerate(dset.iterrows()):
+     doc = {key: row[key] for key in dset.columns}
+     def_coll.insert(doc)
+     count = count + 1
+     #print ('inserting {0} {1}'.format(index,row['element'][index]))
+   return ('inserted {0} of {1}'.format(count,total))
+
 def find_by_query(query):
     """
     return a dataframe based on the query
@@ -18,5 +32,6 @@ def find_by_query(query):
     return (dframe)
 
 if __name__ == '__main__':
+    #add_dframe(pd.read_csv('db_ready.csv'))
     dframe_ret = find_by_query({'element':'Ag','structure':'fcc','code':'VASP','k-point':64,'exchange':'PBE'})
     print (dframe_ret)