diff --git a/src/WarrenCowleyParameters/__init__.py b/src/WarrenCowleyParameters/__init__.py index ab038bf..97b3bad 100644 --- a/src/WarrenCowleyParameters/__init__.py +++ b/src/WarrenCowleyParameters/__init__.py @@ -1,5 +1,4 @@ import itertools -import warnings import numpy as np from ovito.data import DataCollection, DataTable, ElementType, NearestNeighborFinder @@ -125,7 +124,6 @@ def check_symmetry(arr): try: assert np.allclose(arr.T, arr) except: - # warnings.warn("WCs are not exactly symmetric.") print("WARNING: WCs are not exactly symmetric.") def modify(self, data: DataCollection, frame: int, **kwargs): @@ -166,6 +164,6 @@ def modify(self, data: DataCollection, frame: int, **kwargs): ) self.check_symmetry(wc) wc_for_shells[m] = wc - + data.attributes["Warren-Cowley parameters"] = wc_for_shells self.create_visualization_tables(unique_types, nshells, wc_for_shells, data)