fixed tests

nomad-coe · Nov 7, 2023 · d32820a · d32820a
1 parent 970044e
commit d32820a
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Showing 2 changed files with 2 additions and 8 deletions.
diff --git a/tests/test_gromacsparser.py b/tests/test_gromacsparser.py
@@ -103,12 +103,9 @@ def test_md_verbose(parser):
 
     sec_method = sec_run.method
     assert len(sec_method) == 1
-    # assert len(sec_method[0].force_field.model[0].contributions) == 1127
-    # assert sec_method[0].force_field.model[0].contributions[0].type == 'angle'
-    # assert sec_method[0].force_field.model[0].contributions[1120].parameters[1] == 575.0
     assert len(sec_method[0].force_field.model[0].contributions) == 8
     assert sec_method[0].force_field.model[0].contributions[6].type == 'bond'
-    assert sec_method[0].force_field.model[0].contributions[6].n_inter == 1017
+    assert sec_method[0].force_field.model[0].contributions[6].n_interactions == 1017
     assert sec_method[0].force_field.model[0].contributions[6].n_atoms == 2
     assert sec_method[0].force_field.model[0].contributions[6].atom_labels[10][0] == 'C'
     assert sec_method[0].force_field.model[0].contributions[6].atom_indices[100][1] == 141

diff --git a/tests/test_lammpsparser.py b/tests/test_lammpsparser.py
@@ -55,12 +55,9 @@ def test_nvt(parser):
     assert sec_workflow.method.thermostat_parameters[0].coupling_constant.units == 'second'
 
     sec_method = sec_run.method[0]
-    # assert len(sec_method.force_field.model[0].contributions) == 3744
-    # assert sec_method.force_field.model[0].contributions[2].type == 'angle'
-    # assert sec_method.force_field.model[0].contributions[5].parameters == approx(109.51999892662283)
     assert len(sec_method.force_field.model[0].contributions) == 3
     assert sec_method.force_field.model[0].contributions[1].type == 'bond'
-    assert sec_method.force_field.model[0].contributions[1].n_inter == 666
+    assert sec_method.force_field.model[0].contributions[1].n_interactions == 666
     assert sec_method.force_field.model[0].contributions[1].n_atoms == 2
     assert sec_method.force_field.model[0].contributions[1].atom_indices[100][1] == 103
     assert sec_method.force_field.model[0].contributions[1].parameters[200] == approx(1.1147454117684314)