fixed symgroupy tests

GrupEstructuraElectronicaSimetria · May 11, 2020 · 198ba4b · 198ba4b
1 parent 7461d35
commit 198ba4b
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Showing 2 changed files with 3 additions and 2 deletions.
diff --git a/cosymlib/molecule/geometry/__init__.py b/cosymlib/molecule/geometry/__init__.py
@@ -18,7 +18,7 @@ def __init__(self,
                  symbols=(),
                  name=None,
                  connectivity=None,
-                 connectivity_thresh=1.1):
+                 connectivity_thresh=1.2):
 
         # self._central_atom = None
         self._symbols = []

diff --git a/tests/test_symgroup.py b/tests/test_symgroup.py
@@ -25,7 +25,8 @@ def setUp(self):
                                              [-0.926250976,  0.939345948, 0.000000000],
                                              [-0.926250976, -0.939345948, 0.000000000]],
                                   # name='test',
-                                  symbols=['C', 'C', 'C', 'C', 'C']
+                                  symbols=['C', 'C', 'C', 'C', 'C'],
+                                  connectivity_thresh=1.5,
                                   )
 
     def test_symmetry_measure(self):