Merge pull request #275 from openforcefield/fix-regex_query_nullfield

Fix regular expression matching in `query_networks`

alchemiscale/storage/statestore.py

@@ -856,19 +856,26 @@ def query_networks(
             gufe_key_pattern=None if key is None else str(key),
         )
 
+        where_params = dict(
+            name_pattern="an.name",
+            org_pattern="an.`_org`",
+            campaign_pattern="an.`_campaign`",
+            project_pattern="an.`_project`",
+            state_pattern="nm.state",
+            gufe_key_pattern="an.`_gufe_key`",
+        )
+
+        conditions = []
+
         for k, v in query_params.items():
-            if v is None:
-                query_params[k] = ".*"
+            if v is not None:
+                conditions.append(f"{where_params[k]} =~ ${k}")
 
-        q = """
+        where_clause = "WHERE " + " AND ".join(conditions) if len(conditions) else ""
+
+        q = f"""
             MATCH (an:AlchemicalNetwork)<-[:MARKS]-(nm:NetworkMark)
-            WHERE
-                    an.name =~ $name_pattern
-                AND an.`_gufe_key` =~ $gufe_key_pattern
-                AND an.`_org` =~ $org_pattern
-                AND an.`_campaign` =~ $campaign_pattern
-                AND an.`_project` =~ $project_pattern
-                AND nm.state =~ $state_pattern
+            {where_clause}
             RETURN an._scoped_key as sk
         """
 

alchemiscale/tests/integration/storage/test_statestore.py

@@ -206,7 +206,7 @@ def test_get_network(self, n4js, network_tyk2, scope_test):
 
     def test_query_networks(self, n4js, network_tyk2, scope_test, multiple_scopes):
         an = network_tyk2
-        an2 = AlchemicalNetwork(edges=list(an.edges)[:-2], name="incomplete")
+        an2 = AlchemicalNetwork(edges=list(an.edges)[:-2], name=None)
 
         sk: ScopedKey = n4js.assemble_network(an, scope_test)[0]
         sk2: ScopedKey = n4js.assemble_network(an2, scope_test)[0]