upgraded to new RCSB webservices

pwrose · Jan 27, 2022 · 43b81e4 · 43b81e4
1 parent d950be0
commit 43b81e4
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Showing 2 changed files with 6 additions and 0 deletions.
diff --git a/mmtfPyspark/webfilters/chemicalStructureQuery.py b/mmtfPyspark/webfilters/chemicalStructureQuery.py
@@ -84,6 +84,9 @@ def __init__(self, smiles, match_type=SUBSTRUCTURE_STEREOSPECIFIC, percentSimila
             if (score*100.0 >= percentSimilarity):
                 self.structureIds.add(identifier)
 
+    def get_structure_ids(self):
+        return list(self.structureIds)
+
     def __call__(self, t):
         match = t[0] in self.structureIds
 

diff --git a/mmtfPyspark/webfilters/pdbjMineSearch.py b/mmtfPyspark/webfilters/pdbjMineSearch.py
@@ -61,6 +61,9 @@ def __init__(self, sqlQuery):
             ids_sub = [i[:4] for i in ids]
             self.pdbIds = ids + ids_sub
 
+    def get_structure_ids(self):
+        return self.pdbIds
+
     def __call__(self, t):
         match = t[0] in self.pdbIds