fix: template try-except bugs

PaddlePaddle · Aug 19, 2024 · 6968f69 · 6968f69
1 parent dce79f8
commit 6968f69
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Showing 2 changed files with 5 additions and 9 deletions.
diff --git a/apps/protein_folding/helixfold3/helixfold/data/pipeline_conf_bonds.py b/apps/protein_folding/helixfold3/helixfold/data/pipeline_conf_bonds.py
@@ -114,7 +114,7 @@ def make_ccd_conf_features(all_chain_info, ccd_preprocessed_dict,
         converted_atom_id_name=convert_atom_id_name(atom_id.upper())
         if max(converted_atom_id_name)>= 64:
           raise ValueError(f'>>> Problematic atom in ligand ({residue_id=}, {ccd_id=}, {chain_id=}) {atom_id=}, {converted_atom_id_name=}')
-        logging.debug(f'({residue_id=}, {ccd_id=}, {chain_id=}) {atom_id=}, {converted_atom_id_name=}')
+        # logging.debug(f'({residue_id=}, {ccd_id=}, {chain_id=}) {atom_id=}, {converted_atom_id_name=}')
 
       features['ref_atom_name_chars'].append(
                               np.array([convert_atom_id_name(atom_id.upper()) for atom_id in _ccd_feats['atom_ids']]

diff --git a/apps/protein_folding/helixfold3/helixfold/data/templates.py b/apps/protein_folding/helixfold3/helixfold/data/templates.py
@@ -817,19 +817,15 @@ def _process_single_hit(
           TemplateAtomMaskAllZerosError) as e:
     # These 3 errors indicate missing mmCIF experimental data rather than a
     # problem with the template search, so turn them into warnings.
-    warning = ('%s_%s (sum_probs: %.2f, rank: %d): feature extracting errors: '
-               '%s, mmCIF parsing errors: %s'
-               % (hit_pdb_code, hit_chain_id, hit.sum_probs, hit.index,
-                  str(e), parsing_result.errors))
+    warning = (f'{hit_pdb_code}_{hit_chain_id} (sum_probs: {hit.sum_probs}, rank: {hit.index}): feature extracting errors: '
+               f'{str(e)}, mmCIF parsing errors: {parsing_result.errors}')
     if strict_error_check:
       return SingleHitResult(features=None, error=warning, warning=None)
     else:
       return SingleHitResult(features=None, error=None, warning=warning)
   except Error as e:
-    error = ('%s_%s (sum_probs: %.2f, rank: %d): feature extracting errors: '
-             '%s, mmCIF parsing errors: %s'
-             % (hit_pdb_code, hit_chain_id, hit.sum_probs, hit.index,
-                str(e), parsing_result.errors))
+    error = (f'{hit_pdb_code}_{hit_chain_id} (sum_probs: {hit.sum_probs}, rank: {hit.index}): feature extracting errors: '
+               f'{str(e)}, mmCIF parsing errors: {parsing_result.errors}')
     return SingleHitResult(features=None, error=error, warning=None)