fix get_contact_idx_ab

edikedik · Aug 4, 2024 · 81b7f4b · 81b7f4b
1 parent 703b636
commit 81b7f4b
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Showing 2 changed files with 2 additions and 1 deletion.
diff --git a/lXtractor/core/interface.py b/lXtractor/core/interface.py
@@ -559,7 +559,7 @@ def get_contact_idx_ab(
         """
         idx = np.array(list(self.G.edge_list()))
         if chain_ids:
-            idx = idx[np.isin(idx, self._chain_atom_idx(chain_ids).any(axis=1))]
+            idx = idx[np.isin(idx, self._chain_atom_idx(chain_ids)).any(axis=1)]
         return idx
 
     def get_contact_idx_a(self) -> npt.NDArray[int]:

diff --git a/test/test_interface.py b/test/test_interface.py
@@ -188,6 +188,7 @@ def test_io(interface_2oiq, overwrite, name, tmp_path, additional_meta):
 
     iface_ = Interface.read(dest)
     assert iface_ == iface
+    assert iface_.num_contact_residues(['A']) == iface.num_contact_residues(['A'])
 
 
 def test_sasa(interface_2oiq):