#11 wip allowing for comparing multiple matrices as in SENT

examples/test_output.py

@@ -10,7 +10,21 @@ def test_output(filename):
     example_output_dir = script_dir.parent / "build" / "examples" / "geom_1"
 
     assert example_output_dir.exists()
-    output = np.loadtxt(example_output_dir / filename, skiprows=1)
-    reference_output = np.loadtxt(example_output_dir / f"{filename}_ref", skiprows=1)
-    assert output.shape == reference_output.shape
-    assert output == pytest.approx(reference_output, rel=1e-6, abs=1e-6)
+
+    with open(example_output_dir / filename) as output, open(
+        example_output_dir / f"{filename}_ref"
+    ) as reference_output:
+        output = list(output)
+        for i, line in enumerate(reference_output):
+            if line.endswith(":"):
+                continue
+            assert np.fromstring(output[i], sep=" ") == pytest.approx(
+                np.fromstring(line, sep=" "), rel=1e-6, abs=1e-6
+            )
+        # matrix_boundaries = [line for line in file if line.endswith(':')] + [-1]
+    # for idx in range(len(matrix_boundaries)-1):
+
+    # output = np.loadtxt(example_output_dir / filename, skiprows=matrix_boundaries[idx])
+    # reference_output = np.loadtxt(example_output_dir / f"{filename}_ref", skiprows=matrix_boundaries[idx]+1, max_rows=matrix_boundaries[idx+1]-matrix_boundaries[idx])
+    # assert output.shape == reference_output.shape
+    # assert output == pytest.approx(reference_output, rel=1e-6, abs=1e-6)