fix

openfold/data/data_modules.py

@@ -57,6 +57,9 @@ class OpenFoldSingleDataset(torch.utils.data.Dataset):
                     Path to a directory containing template mmCIF files.
                 config:
                     A dataset config object. See openfold.config
+                chain_data_cache_path:
+                    Path to cache of data_dir generated by
+                    scripts/generate_chain_data_cache.py
                 kalign_binary_path:
                     Path to kalign binary.
                 max_template_hits:
@@ -121,22 +124,24 @@ class OpenFoldSingleDataset(torch.utils.data.Dataset):
                 c for c in self._chain_ids if c in chains_to_include
             ]
 
+        if self.chain_data_cache is not None:
             # Filter to include only chains where we have structure data
-        # (i.e. entries in chain_data_cache)
+            # (entries in chain_data_cache)
             original_chain_ids = self._chain_ids
             self._chain_ids = [
                 c for c in self._chain_ids if c in self.chain_data_cache
             ]
             if len(self._chain_ids) < len(original_chain_ids):
                 missing = [
-                c for c in original_chain_ids if c not in self.chain_data_cache
+                    c for c in original_chain_ids
+                    if c not in self.chain_data_cache
                 ]
                 max_to_print = 10
                 missing_examples = ", ".join(missing[:max_to_print])
                 if len(missing) > max_to_print:
                     missing_examples += ", ..."
                 logging.warning(
-                "Ignoring %d alignment entries (%s) that have no corresponding "
+                    "Removing %d alignment entries (%s) with no corresponding "
                     "entries in chain_data_cache (%s).",
                     len(missing),
                     missing_examples,