unzhakov
1269244b93
- Add nuclear_data.py module for paceENSDF integration and JSON input - Add DecayInfo and BranchInfo dataclasses for parsed nuclear data - Implement get_decay_info_from_paceENSDF() to retrieve decay parameters - Implement load_json_input() and json_to_config() for custom JSON input - Add create_config_from_source() unified interface for both sources - Add bs_pnpi CLI with --nuclide, --input, --output, --plot, and detector options - Add 23 comprehensive tests for nuclear_data module - Add sample JSON input file - Update __init__.py and pyproject.toml with new exports and entry point - Add paceENSDF as optional dependency
314 lines
9.7 KiB
Python
314 lines
9.7 KiB
Python
"""Tests for nuclear_data module (paceENSDF integration and JSON input)."""
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import json
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import tempfile
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from pathlib import Path
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import pytest
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# ruff: noqa: E402, ANN201, ANN001
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from beta_spectrum.nuclear_data import ( # noqa: E402
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BranchInfo,
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DecayInfo,
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create_config_from_source,
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decay_info_to_config,
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get_decay_info_from_paceENSDF,
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json_to_config,
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load_json_input,
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validate_json_input,
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_parse_nuclide_symbol,
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)
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from beta_spectrum.spectrum import SpectrumConfig
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def _has_paceENSDF() -> bool: # noqa: ANN201
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"""Check if paceENSDF is available."""
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try:
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import paceENSDF # noqa: F401
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return True
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except ImportError:
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return False
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# ---------------------------------------------------------------------------
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# _parse_nuclide_symbol
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# ---------------------------------------------------------------------------
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class TestParseNuclideSymbol:
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"""Test nuclide symbol parsing."""
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def test_tc99(self):
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element, Z, A = _parse_nuclide_symbol("Tc99")
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assert element == "Tc"
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assert Z == 43
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assert A == 99
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def test_co60(self):
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element, Z, A = _parse_nuclide_symbol("Co60")
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assert element == "Co"
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assert Z == 27
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assert A == 60
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def test_he3(self):
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element, Z, A = _parse_nuclide_symbol("He3")
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assert element == "He"
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assert Z == 2
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assert A == 3
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def test_invalid_symbol(self):
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with pytest.raises(ValueError, match="Cannot parse nuclide symbol"):
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_parse_nuclide_symbol("99Tc")
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def test_unknown_element(self):
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with pytest.raises(ValueError, match="Unknown element symbol"):
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_parse_nuclide_symbol("Xx99")
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# ---------------------------------------------------------------------------
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# validate_json_input
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# ---------------------------------------------------------------------------
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class TestValidateJsonInput:
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"""Test JSON input validation."""
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def test_valid_input(self):
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data = {
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"endpoint_MeV": 0.5,
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"Z_parent": 43,
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"Z_daughter": 44,
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"A_number": 99,
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}
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validate_json_input(data) # should not raise
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def test_missing_endpoint(self):
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data = {"Z_parent": 43, "Z_daughter": 44, "A_number": 99}
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with pytest.raises(ValueError, match="Missing required field"):
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validate_json_input(data)
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def test_negative_endpoint(self):
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data = {
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"endpoint_MeV": -0.5,
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"Z_parent": 43,
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"Z_daughter": 44,
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"A_number": 99,
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}
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with pytest.raises(ValueError, match="endpoint_MeV must be positive"):
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validate_json_input(data)
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def test_invalid_transition_type(self):
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data = {
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"endpoint_MeV": 0.5,
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"Z_parent": 43,
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"Z_daughter": 44,
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"A_number": 99,
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"transition_type": "invalid",
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}
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with pytest.raises(ValueError, match="Invalid transition_type"):
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validate_json_input(data)
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# ---------------------------------------------------------------------------
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# load_json_input / json_to_config
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# ---------------------------------------------------------------------------
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class TestJsonInput:
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"""Test JSON file loading and conversion."""
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def _write_json(self, data: dict) -> Path:
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"""Write data to a temp JSON file."""
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tmp = tempfile.NamedTemporaryFile(mode="w", suffix=".json", delete=False)
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json.dump(data, tmp)
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tmp.close()
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return Path(tmp.name)
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def test_load_and_convert(self):
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data = {
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"parent_symbol": "Tc99",
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"Z_parent": 43,
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"Z_daughter": 44,
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"A_number": 99,
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"endpoint_MeV": 0.294,
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"transition_type": "F2",
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"e_step_MeV": 0.001,
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}
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path = self._write_json(data)
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try:
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loaded = load_json_input(str(path))
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config = json_to_config(loaded)
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assert isinstance(config, SpectrumConfig)
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assert config.Z_parent == 43
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assert config.Z_daughter == 44
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assert config.A_number == 99
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assert abs(config.endpoint_MeV - 0.294) < 1e-6
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assert config.transition_type == "F2"
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assert config.e_step_MeV == 0.001
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finally:
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path.unlink()
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def test_defaults_filled(self):
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data = {
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"Z_parent": 43,
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"Z_daughter": 44,
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"A_number": 99,
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"endpoint_MeV": 0.294,
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}
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path = self._write_json(data)
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try:
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loaded = load_json_input(str(path))
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# Defaults should be filled in
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assert loaded["detector_model"] == "gaussian"
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assert loaded["detector_sigma_a_keV"] == 1.0
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finally:
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path.unlink()
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def test_file_not_found(self):
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with pytest.raises(FileNotFoundError):
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load_json_input("/nonexistent/file.json")
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# ---------------------------------------------------------------------------
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# decay_info_to_config
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# ---------------------------------------------------------------------------
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class TestDecayInfoToConfig:
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"""Test conversion from DecayInfo to SpectrumConfig."""
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def test_basic_conversion(self):
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info = DecayInfo(
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parent_symbol="Tc99",
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Z_parent=43,
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Z_daughter=44,
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A_number=99,
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endpoint_keV=294000.0,
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endpoint_MeV=0.294,
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transition_type="A",
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forbiddenness_code="0A",
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parent_J=4.5,
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parent_pi=1,
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half_life="y",
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branches=[],
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)
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config = decay_info_to_config(info)
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assert isinstance(config, SpectrumConfig)
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assert config.Z_parent == 43
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assert config.Z_daughter == 44
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assert config.A_number == 99
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assert abs(config.endpoint_MeV - 0.294) < 1e-6
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assert config.transition_type == "A"
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def test_with_detector_response(self):
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info = DecayInfo(
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parent_symbol="Co60",
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Z_parent=27,
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Z_daughter=28,
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A_number=60,
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endpoint_keV=317860.0,
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endpoint_MeV=0.31786,
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transition_type="A",
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forbiddenness_code="1A",
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parent_J=0.0,
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parent_pi=1,
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half_life="y",
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branches=[],
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)
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config = decay_info_to_config(
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info, use_detector_response=True, e_step_MeV=0.005
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)
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assert config.use_detector_response is True
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assert config.e_step_MeV == 0.005
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# ---------------------------------------------------------------------------
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# get_decay_info_from_paceENSDF
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# ---------------------------------------------------------------------------
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@pytest.mark.skipif(not _has_paceENSDF(), reason="paceENSDF not installed")
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class TestPaceENSDFIntegration:
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"""Test paceENSDF data retrieval."""
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def test_tc99_beta_minus(self):
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info = get_decay_info_from_paceENSDF("Tc99", "beta_minus")
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assert isinstance(info, DecayInfo)
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assert info.parent_symbol == "Tc99"
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assert info.Z_parent == 43
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assert info.Z_daughter == 44
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assert info.A_number == 99
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assert info.endpoint_MeV > 0
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assert len(info.branches) > 0
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def test_co60_beta_minus(self):
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info = get_decay_info_from_paceENSDF("Co60", "beta_minus")
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assert isinstance(info, DecayInfo)
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assert info.parent_symbol == "Co60"
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assert info.Z_parent == 27
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assert info.Z_daughter == 28
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assert info.A_number == 60
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assert info.endpoint_MeV > 0
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def test_branch_info(self):
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info = get_decay_info_from_paceENSDF("Tc99", "beta_minus")
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for branch in info.branches:
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assert isinstance(branch, BranchInfo)
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assert branch.level_index >= 0
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assert branch.level_energy_keV >= 0
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assert 0 < branch.intensity <= 100
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if branch.log_ft is not None:
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assert branch.log_ft > 0
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def test_invalid_nuclide(self):
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with pytest.raises(ValueError, match="Unknown element symbol"):
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get_decay_info_from_paceENSDF("Xx99", "beta_minus")
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def test_no_decay_data(self):
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# Pb208 is stable, no beta-minus decay data
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with pytest.raises(ValueError, match="No BM decay data found"):
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get_decay_info_from_paceENSDF("Pb208", "beta_minus")
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# ---------------------------------------------------------------------------
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# create_config_from_source
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# ---------------------------------------------------------------------------
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class TestCreateConfigFromSource:
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"""Test the unified config creation interface."""
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def _write_json(self, data: dict) -> Path:
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tmp = tempfile.NamedTemporaryFile(mode="w", suffix=".json", delete=False)
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json.dump(data, tmp)
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tmp.close()
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return Path(tmp.name)
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def test_json_source(self):
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data = {
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"Z_parent": 43,
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"Z_daughter": 44,
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"A_number": 99,
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"endpoint_MeV": 0.294,
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}
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path = self._write_json(data)
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try:
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config = create_config_from_source("json", json_path=str(path))
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assert isinstance(config, SpectrumConfig)
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assert config.Z_parent == 43
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finally:
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path.unlink()
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def test_unknown_source(self):
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with pytest.raises(ValueError, match="Unknown source"):
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create_config_from_source("unknown", nuclide="Tc99")
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def test_paceENSDF_requires_nuclide(self):
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with pytest.raises(ValueError, match="nuclide parameter required"):
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create_config_from_source("paceENSDF")
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def test_json_requires_path(self):
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with pytest.raises(ValueError, match="json_path parameter required"):
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create_config_from_source("json")
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