fixed missing data in tests

basicrta/gibbs.py

@@ -112,7 +112,7 @@ class Gibbs(object):
     EXAMPLE
     -------
     >>> from basicrta.gibbs import Gibbs
-    >>> from basicrta.tests.data import times
+    >>> from basicrta.tests.datafiles import times
     >>> g = Gibbs(times=times, residue='W313', cutoff=7.0)
     >>> g.run()
     >>> g.process_gibbs()

basicrta/tests/datafiles.py

@@ -0,0 +1,33 @@
+# -*- Mode: python; tab-width: 4; indent-tabs-mode:nil; coding:utf-8 -*-
+# vim: tabstop=4 expandtab shiftwidth=4 softtabstop=4 fileencoding=utf-8
+#
+# Basicrta
+# Copyright (c) 2024 Ricky Sexton
+#
+# Released under the GNU Public Licence, v3 or any higher version
+#
+# Please cite your use of basicrta in published work:
+#
+
+"""
+Location of data files for the basicrta unit tests
+====================================================
+
+  from basicrta.tests.datafiles import *
+
+"""
+
+__all__ = [
+    "times" # set of residence times collected from W313 of b2ar 
+]
+
+from importlib import resources
+import numpy as np
+import basicrta.tests.data
+
+_data_ref = resources.files('basicrta.tests.data')
+
+times = np.load((_data_ref / 'times.npy').as_posix())
+# This should be the last line: clean up namespace
+del resources
+