update forcefield test forms

tests/test_forcefield.py

@@ -9,7 +9,6 @@
 
 import numpy as np
 import pytest
-from numpy.testing import assert_allclose
 from pymatgen.io.lammps.data import LammpsData
 
 from mdgo.forcefield.aqueous import Aqueous, Ion
@@ -47,26 +46,26 @@ def test_chrome(self) -> None:
             assert os.path.exists(os.path.join(download_dir, "EMC.itp"))
             with open(os.path.join(download_dir, "EMC.lmp")) as f:
                 pdf_actual = f.readlines()
-                assert_allclose(pdf, pdf_actual)
+                assert pdf == pdf_actual
             with open(os.path.join(download_dir, "EMC.lmp.xyz")) as f:
                 xyz_actual = f.readlines()
-                assert_allclose(xyz, xyz_actual)
+                assert xyz == xyz_actual
             with open(os.path.join(download_dir, "EMC.gro")) as f:
                 gro_actual = f.readlines()
-                assert_allclose(gro, gro_actual)
+                assert gro == gro_actual
             with open(os.path.join(download_dir, "EMC.itp")) as f:
                 itp_actual = f.readlines()
-                assert_allclose(itp, itp_actual)
+                assert itp == itp_actual
             lpg = FFcrawler(download_dir)
             lpg.data_from_smiles("CCOC(=O)OC")
             with open(os.path.join(download_dir, "CCOC(=O)OC.lmp")) as f:
                 smiles_actual = f.readlines()
-                assert_allclose(smiles[:13], smiles_actual[:13])
-                assert_allclose(smiles[18:131], smiles_actual[18:131])
+                assert smiles_actual[:13] == smiles[:13]
+                assert smiles_actual[18:131] == smiles[18:131]
                 assert smiles_actual[131][:26] == "     1      1      1 -0.28"
                 assert smiles_actual[132][:25] == "     2      1      2 0.01"
                 assert smiles_actual[145][:25] == "    15      1     15 0.10"
-                assert_allclose(smiles_actual[146:], smiles[146:])
+                assert smiles_actual[146:] == smiles[146:]
         finally:
             sys.stdout = saved_stdout
             shutil.rmtree(download_dir)