working copy_defects function

pyscal · Aug 15, 2024 · c0ddf11 · c0ddf11
1 parent 3772047
commit c0ddf11
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Showing 2 changed files with 12 additions and 6 deletions.
diff --git a/atomrdf/graph.py b/atomrdf/graph.py
@@ -1264,13 +1264,18 @@ def iterate_and_rename_triples(self, item):
                     else:
                         uri_dict[triple[0].toPython()] = triple[0].toPython()
 
+        new_triples = []
         for triple in triples:
-            if triple[0].toPython() in uri_dict.keys():
-                triples[0] = URIRef(uri_dict[triple[0].toPython()])
-            if triple[2].toPython() in uri_dict.keys():
-                triples[2] = URIRef(uri_dict[triple[2].toPython()])
+            subject = triple[0]
+            if subject.toPython() in uri_dict.keys():
+                subject = URIRef(uri_dict[subject.toPython()])
+            predicate  = triple[1]
+            object = triple[2]
+            if object.toPython() in uri_dict.keys():
+                object = URIRef(uri_dict[object.toPython()])
+            new_triples.append((subject, predicate, object))
 
-        return URIRef(uri_dict[item.toPython()]), triples
+        return URIRef(uri_dict[item.toPython()]), new_triples
 
     def get_sample(self, sample, no_atoms=False, stop_at_sample=True):
         """

diff --git a/atomrdf/structure.py b/atomrdf/structure.py
@@ -2573,4 +2573,5 @@ def copy_defects(self, parent_sample):
             self.graph.add((material, CMSO.hasDefect, new_defect))
             #add the triples to the graph
             for triple in defect_triples:
-                self.graph.add((triple))        
+                #print(triple)
+                self.graph.add(triple)