fix: use underscores in branch names for CSV headers
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@@ -467,8 +467,8 @@ class TestMultiBranchCSVExport:
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assert "total_spectrum" in df.columns
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# Should have per-branch spectrum columns (intensity/endpoint/transition are in the header)
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assert "branch 1" in df.columns
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assert "branch 2" in df.columns
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assert "branch_1_spectrum" in df.columns
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assert "branch_2_spectrum" in df.columns
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# Should NOT have repeated per-branch metadata columns
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assert "branch_1_intensity" not in df.columns
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@@ -503,6 +503,7 @@ class TestMultiBranchCSVExport:
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df = pd.read_csv(csv_path, comment="#")
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assert "total_spectrum" in df.columns
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assert "branch_1_spectrum" in df.columns
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assert "Fermi" in df.columns
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@@ -659,9 +660,9 @@ class TestMultiBranchEdgeCases:
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W, _ = spectrum.get_energy_grid(config)
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values = spectrum(W)
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assert np.all(
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np.isfinite(values)
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), "High-Z multi-branch must not produce NaN/inf"
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assert np.all(np.isfinite(values)), (
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"High-Z multi-branch must not produce NaN/inf"
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)
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def test_no_branches_defaults_to_single(self):
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"""No branches list should default to single-branch mode."""
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@@ -726,9 +727,9 @@ class TestMultiBranchEdgeCases:
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contrib = universal_product * branch.intensity * bs[i]
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# Branch contribution should not exceed total
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assert np.all(
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contrib <= total + 1e-10
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), f"Branch {i} contribution exceeds total at some points"
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assert np.all(contrib <= total + 1e-10), (
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f"Branch {i} contribution exceeds total at some points"
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)
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# Branch contribution should be non-negative
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assert np.all(contrib >= 0), f"Branch {i} contribution has negative values"
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@@ -778,6 +779,6 @@ class TestMultiBranchEdgeCases:
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assert integral > 0, f"Branch {i} has zero integral"
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# Sum of branch integrals should equal total
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assert np.isclose(
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sum(integrals), total_integral, rtol=1e-6
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), "Sum of branch integrals should equal total integral"
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assert np.isclose(sum(integrals), total_integral, rtol=1e-6), (
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"Sum of branch integrals should equal total integral"
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)
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