fix tests

cmelab · Mar 10, 2025 · 82d2409 · 82d2409
1 parent d93696e
commit 82d2409
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Showing 2 changed files with 9 additions and 8 deletions.
diff --git a/flowermd/tests/library/test_polymers.py b/flowermd/tests/library/test_polymers.py
@@ -113,9 +113,9 @@ def test_ellipsoid_chain(self):
             lengths=4,
             num_mols=2,
             lpar=0.5,
-            bead_mass=100,
+            bead_mass=1,
         )
-        assert ellipsoid_chain.n_particles == 16
-        assert ellipsoid_chain.molecules[0].mass == 400
-        assert ellipsoid_chain.molecules[0].n_particles == 8
-        assert ellipsoid_chain.molecules[0].n_bonds == 7
+        assert ellipsoid_chain.n_particles == 32
+        assert ellipsoid_chain.molecules[0].mass == 4
+        assert ellipsoid_chain.molecules[0].n_particles == 16
+        assert ellipsoid_chain.molecules[0].n_bonds == 10
diff --git a/flowermd/tests/utils/test_constraints.py b/flowermd/tests/utils/test_constraints.py
@@ -11,7 +11,7 @@
 class TestBondConstraint(BaseTest):
     def test_single_fixed_bonds(self):
         chains = LJChain(lengths=10, num_mols=1)
-        system = Pack(molecules=chains, density=0.001)
+        system = Pack(molecules=chains, density=0.001, base_units=dict())
         snap, d = set_bond_constraints(
             snapshot=system.hoomd_snapshot,
             bond_types=["A-A"],
@@ -31,7 +31,7 @@ def test_multiple_fixed_bonds(self):
             bead_mass={"A": 1.0, "B": 0.7},
             bond_lengths={"A-B": 1.0, "B-B": 0.80},
         )
-        system = Pack(molecules=chains, density=0.0001)
+        system = Pack(molecules=chains, density=0.0001, base_units=dict())
         snap, d = set_bond_constraints(
             snapshot=system.hoomd_snapshot,
             bond_types=["A-B", "B-B"],
@@ -53,7 +53,7 @@ def test_multiple_fixed_bonds(self):
 
     def test_ellipsoid_fixed_bonds_bad_val(self):
         chains = LJChain(lengths=10, num_mols=1)
-        system = Pack(molecules=chains, density=0.001)
+        system = Pack(molecules=chains, density=0.001, base_units=dict())
         with pytest.raises(ValueError):
             set_bond_constraints(
                 system.hoomd_snapshot,
@@ -77,6 +77,7 @@ def test_ellipsoid_create_rigid_body(self):
             edge=5,
             overlap=1,
             fix_orientation=True,
+            base_units=dict(),
         )
         snap = system.hoomd_snapshot
         rigid_frame, rigid = create_rigid_ellipsoid_chain(snap)