Add more descriptive error message

biotite-dev · May 31, 2024 · 1081e99 · 1081e99
1 parent d1606a4
commit 1081e99
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Showing 2 changed files with 7 additions and 2 deletions.
diff --git a/src/biotite/structure/info/atoms.py b/src/biotite/structure/info/atoms.py
@@ -72,6 +72,11 @@ def residue(res_name):
     # Avoid circular import
     from ..io.pdbx import get_component
 
-    component = get_component(get_ccd(), res_name=res_name)
+    try:
+        component = get_component(get_ccd(), res_name=res_name)
+    except KeyError:
+        raise KeyError(
+            f"No atom information found for residue '{res_name}' in CCD"
+        )
     component.hetero[:] = res_name not in non_hetero_residues
     return component
diff --git a/src/biotite/structure/io/pdbx/convert.py b/src/biotite/structure/io/pdbx/convert.py
@@ -1112,7 +1112,7 @@ def get_component(pdbx_file, data_block=None, use_ideal_coord=True,
         atom_category = _filter(
             atom_category, atom_category["comp_id"].as_array() == res_name
         )
-        if len(atom_category) == 0:
+        if atom_category.row_count == 0:
             raise KeyError(
                 f"No rows with residue name '{res_name}' found in "
                 f"'chem_comp_atom' category"