fix unit test

Author: OutisLi

dpdata/plugins/lammps.py

@@ -109,7 +109,7 @@ def from_system(
         return data
 
     def to_system(
-        self, data, file_name: FileType, frame_idx=0, output_spins=False, **kwargs
+        self, data, file_name: FileType, frame_idx=0, **kwargs
     ):
         """Dump the system in lammps data format.
 
@@ -121,13 +121,11 @@ def to_system(
             The output file name
         frame_idx : int
             The index of the frame to dump
-        output_spins : bool, optional
-            Whether to output spin information columns. Default is False.
-            When True, outputs additional columns for spin direction and magnitude.
         **kwargs : dict
             other parameters
         """
         assert frame_idx < len(data["coords"])
+        output_spins = bool(kwargs.pop("output_spins", False))
         w_str = dpdata.lammps.lmp.from_system_data(
             data, frame_idx, output_spins=output_spins
         )

tests/test_lammps_spin.py

@@ -48,8 +48,8 @@ def setUp(self):
     def tearDown(self):
         pass  # if os.path.isfile(self.lmp_coord_name):os.remove(self.lmp_coord_name)
 
-    def test_dump_input(self):
-        self.tmp_system.to("lammps/lmp", self.lmp_coord_name)
+    def test_dump_input(self, output_spins=False):
+        self.tmp_system.to("lammps/lmp", self.lmp_coord_name, output_spins=output_spins)
         self.assertTrue(os.path.isfile(self.lmp_coord_name))
         with open(self.lmp_coord_name) as f:
             c = f.read()
@@ -58,9 +58,9 @@ def test_dump_input(self):
      2      2    1.2621856000    0.7018028000    0.5513885000    0.0000000000    0.8000000000    0.6000000000    5.0000000000"""
         self.assertTrue(coord_ref in c)
 
-    def test_dump_input_zero_spin(self):
+    def test_dump_input_zero_spin(self, output_spins=True):
         self.tmp_system.data["spins"] = [[[0, 0, 0], [0, 0, 0]]]
-        self.tmp_system.to("lammps/lmp", self.lmp_coord_name)
+        self.tmp_system.to("lammps/lmp", self.lmp_coord_name, output_spins=output_spins)
         self.assertTrue(os.path.isfile(self.lmp_coord_name))
         with open(self.lmp_coord_name) as f:
             c = f.read()