Change if condition to assertion in basis_rotation

qiboteam · Dec 19, 2023 · b344e33 · b344e33
1 parent eadbcb4
commit b344e33
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Showing 2 changed files with 3 additions and 4 deletions.
diff --git a/src/qibochem/ansatz/basis_rotation.py b/src/qibochem/ansatz/basis_rotation.py
@@ -142,7 +142,6 @@ def br_circuit(n_qubits, parameters, n_occ):
     # Add the Givens rotation circuits
     for g_rot_parameter in g_rotation_parameters:
         for orb1, orb2, theta, _phi in g_rot_parameter:
-            if not np.allclose(_phi, 0.0):
-                raise ValueError("Unitary rotation is not real")
+            assert np.allclose(_phi, 0.0), "Unitary rotation is not real!"
             circuit += givens_rotation_gate(n_qubits, orb1, orb2, theta)
     return circuit
diff --git a/tests/test_molecule.py b/tests/test_molecule.py
@@ -30,7 +30,7 @@ def test_run_pyscf():
 
 def test_run_pyscf_molecule_xyz():
     """Pyscf driver with xyz file"""
-    file_path = Path("data/lih.xyz")
+    file_path = Path("tests", "data", "lih.xyz")
     if not file_path.is_file():
         with open(file_path, "w") as file_handler:
             file_handler.write("2\n0 1\nLi 0.0 0.0 0.0\nH 0.0 0.0 1.2\n")
@@ -42,7 +42,7 @@ def test_run_pyscf_molecule_xyz():
 
 
 def test_run_pyscf_molecule_xyz_charged():
-    file_path = Path("data/h2.xyz")
+    file_path = Path("tests", "data", "h2.xyz")
     if not file_path.is_file():
         with open(file_path, "w") as file_handler:
             file_handler.write("2\n \nH 0.0 0.0 0.0\nH 0.0 0.0 0.7\n")