return pandas object from query

pyscal_rdf/graph.py

@@ -12,6 +12,7 @@
 import inspect
 from ase.io import write
 import copy
+import pandas as pd
 
 from pyscal_rdf.visualize import visualize_graph
 from pyscal_rdf.network import OntologyNetwork
@@ -864,7 +865,28 @@ def to_file(self, sample, filename=None, format="lammps-dump"):
  #write(filename, asesys, format=format)
  sys.to_file(filename, format=format)
 
-
+
+ def query(self, inquery):
+ """
+ Query the graph using SPARQL
+
+ Parameters
+ ----------
+ inquery: string
+ SPARQL query to be executed
+
+ Returns
+ -------
+ res: pandas DataFrame
+ pandas dataframe results
+ """
+ res = self.graph.query(inquery)
+ if res is not None:
+ return pd.DataFrame(res)
+ raise ValueError("SPARQL query returned None")
+
+
+
  def query_sample(self, target_property, value, return_query=False):
  """
  Query the Graph for a sample that has the given `value` for the given `target_property`