test: rogfp2 pocket detection

tests/conftest.py

@@ -30,3 +30,15 @@ def path_rel1_config():
 @pytest.fixture
 def path_rel1_output():
     return os.path.join(TEST_DIR, "tmp/", "rel1/")
+
+@pytest.fixture
+def path_rogfp2_pdb():
+    return os.path.join(TEST_DIR, "files/rogfp2/rogfp2.pdb")
+
+@pytest.fixture
+def path_rogfp2_config():
+    return os.path.join(TEST_DIR, "files/rogfp2/pocket-id.yml")
+
+@pytest.fixture
+def path_rogfp2_output():
+    return os.path.join(TEST_DIR, "tmp/", "rogfp2/")

tests/files/rogfp2/pocket-id.yml

@@ -0,0 +1,13 @@
+pocket_detection_resolution: 4.0
+
+pocket_measuring_resolution: 1.0
+
+clashing_cutoff: 3.0
+
+n_neighbors: 4
+
+n_spheres: 5
+
+sphere_padding: 5.0
+
+n_cores: 4