feat: try add UT

Author: anyangml

tests/test_deepmd_mixed.py

@@ -455,5 +455,47 @@ def tearDown(self):
             shutil.rmtree("tmp.deepmd.mixed.single")
 
 
+class TestMixedSystemWithFparamAparam(unittest.TestCase, CompLabeledSys, IsNoPBC):
+    def setUp(self):
+        self.places = 6
+        self.e_places = 6
+        self.f_places = 6
+        self.v_places = 6
+
+        system_1 = dpdata.LabeledSystem(
+            "gaussian/methane.gaussianlog", fmt="gaussian/log"
+        )
+        
+        tmp_data = system_1.data.copy()
+        nframes = tmp_data["coords"].shape[0]
+        natoms = tmp_data["atom_types"].shape[0]
+        
+        tmp_data["fparam"] = np.random.random([nframes, 2])
+        tmp_data["aparam"] = np.random.random([nframes, natoms, 3])
+
+        self.system_1 = dpdata.LabeledSystem(data=tmp_data)
+        
+        self.system_1.to("deepmd/npy/mixed", "tmp.deepmd.fparam.aparam")
+        self.system_2 = dpdata.LabeledSystem("tmp.deepmd.fparam.aparam", fmt="deepmd/npy/mixed")
+
+    def tearDown(self):
+        if os.path.exists("tmp.deepmd.fparam.aparam"):
+            shutil.rmtree("tmp.deepmd.fparam.aparam")
+
+    def test_fparam_exists(self):
+        self.assertTrue("fparam" in self.system_1.data)
+        self.assertTrue("fparam" in self.system_2.data)
+        np.testing.assert_almost_equal(
+            self.system_1.data["fparam"], self.system_2.data["fparam"], decimal=self.places
+        )
+
+    def test_aparam_exists(self):
+        self.assertTrue("aparam" in self.system_1.data)
+        self.assertTrue("aparam" in self.system_2.data)
+        np.testing.assert_almost_equal(
+            self.system_1.data["aparam"], self.system_2.data["aparam"], decimal=self.places
+        )
+
+
 if __name__ == "__main__":
     unittest.main()