Add tests: load_mtz_cctbx

speleo3 · Sep 30, 2023 · a4f86e5 · a4f86e5
1 parent 50c89f6
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diff --git a/tests/data/5e5z_phases.mtz b/tests/data/5e5z_phases.mtz
diff --git a/tests/test_load_mtz_cctbx.py b/tests/test_load_mtz_cctbx.py
@@ -0,0 +1,24 @@
+import psico.load_mtz_cctbx as m
+import importlib.util
+import pytest
+from pathlib import Path
+from pymol import cmd
+
+DATA_PATH = Path(__file__).resolve().parent / 'data'
+
+
+def test_load_mtz_cctbx():
+    cmd.reinitialize()
+
+    if importlib.util.find_spec("iotbx") is None:
+        pytest.skip("cctbx not found")
+
+    m.load_mtz_cctbx(DATA_PATH / "5e5z_phases.mtz")
+
+    assert set(cmd.get_names()) == {
+        '5e5z_phases_FC_ALL_LS_PHIC_ALL_LS',
+        '5e5z_phases_DELFWT_PHDELWT',
+        '5e5z_phases_FWT_PHWT',
+        '5e5z_phases_FC_ALL_PHIC_ALL',
+        '5e5z_phases_FC_PHIC',
+    }