convert is_periodic to bool in XYZ

2026-09-24 16:30:27 +08:00 · 2022-04-13 16:41:17 +00:00
parent 4de5883388
commit d72aab5322
1 changed files with 2 additions and 2 deletions
@@ -1248,9 +1248,9 @@ class XYZ(GenericMolFile):
                    chemical_formula.append(block.get_chemical_formula())
                    pbc = block.get_pbc()
                    try:
-                        p = 1 if pbc else 0
+                        p = bool(pbc)
                    except ValueError:  # pbc is an array
-                        p = 1 if pbc.any() else 0
+                        p = bool(pbc.any())
                    is_periodic.append(p)
                    lattice_parameters.append(list(block.get_cell().cellpar()))
            except Exception as e: