22007957997

Committed 14 Feb 2026 12:50AM UTC coverage: 81.717% (-0.05%) from 81.763%

Build # 22007957997

Build Type

Pull #3765

github

Committed by

web-flow

Commit Message

Merge 6111ffe2e into 19c0aafdc

Pull Request Pull Request #3765: Store atomic mass in ParticleType.

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96.85

/openmc/data/endf.py

"""Module for parsing and manipulating data from ENDF evaluations.

All the classes and functions in this module are based on document ENDF-102
titled "Data Formats and Procedures for the Evaluated Nuclear Data File ENDF-6".
The version from September 2023 can be found at
https://www.nndc.bnl.gov/endfdocs/ENDF-102-2023.pdf

"""
import io
from pathlib import PurePath
import re

from .data import gnds_name
from .function import Tabulated1D
from endf.material import _LIBRARY, _SUBLIBRARY
from endf.incident_neutron import SUM_RULES
from endf.records import (
    float_endf,
    py_float_endf,
    int_endf,
    get_text_record,
    get_cont_record,
    get_head_record,
    get_list_record,
    get_tab1_record as _get_tab1_record,
    get_tab2_record,
    get_intg_record,
)


def get_tab1_record(file_obj):
    """Return data from a TAB1 record in an ENDF-6 file.

    This wraps the endf package's get_tab1_record to return an
    openmc.data.Tabulated1D (which has HDF5 support and is a Function1D)
    instead of endf.Tabulated1D.
    """
    params, tab = _get_tab1_record(file_obj)
    return params, Tabulated1D(tab.x, tab.y, tab.breakpoints, tab.interpolation)


def get_evaluations(filename):
    """Return a list of all evaluations within an ENDF file.

    Parameters
    ----------
    filename : str
        Path to ENDF-6 formatted file

    Returns
    -------
    list
        A list of :class:`openmc.data.endf.Evaluation` instances.

    """
    evaluations = []
    with open(str(filename), 'r') as fh:
        while True:
            pos = fh.tell()
            line = fh.readline()
            if line[66:70] == '  -1':
                break
            fh.seek(pos)
            evaluations.append(Evaluation(fh))
    return evaluations


class Evaluation:
    """ENDF material evaluation with multiple files/sections

    Parameters
    ----------
    filename_or_obj : str or file-like
        Path to ENDF file to read or an open file positioned at the start of an
        ENDF material

    Attributes
    ----------
    info : dict
        Miscellaneous information about the evaluation.
    target : dict
        Information about the target material, such as its mass, isomeric state,
        whether it's stable, and whether it's fissionable.
    projectile : dict
        Information about the projectile such as its mass.
    reaction_list : list of 4-tuples
        List of sections in the evaluation. The entries of the tuples are the
        file (MF), section (MT), number of records (NC), and modification
        indicator (MOD).

    """
    def __init__(self, filename_or_obj):
        if isinstance(filename_or_obj, (str, PurePath)):
            fh = open(str(filename_or_obj), 'r')
            need_to_close = True
        else:
            fh = filename_or_obj
            need_to_close = False
        self.section = {}
        self.info = {}
        self.target = {}
        self.projectile = {}
        self.reaction_list = []

        # Skip TPID record. Evaluators sometimes put in TPID records that are
        # ill-formated because they lack MF/MT values or put them in the wrong
        # columns.
        if fh.tell() == 0:
            fh.readline()
        MF = 0

        # Determine MAT number for this evaluation
        while MF == 0:
            position = fh.tell()
            line = fh.readline()
            MF = int(line[70:72])
        self.material = int(line[66:70])
        fh.seek(position)

        while True:
            # Find next section
            while True:
                position = fh.tell()
                line = fh.readline()
                MAT = int(line[66:70])
                MF = int(line[70:72])
                MT = int(line[72:75])
                if MT > 0 or MAT == 0:
                    fh.seek(position)
                    break

            # If end of material reached, exit loop
            if MAT == 0:
                fh.readline()
                break

            section_data = ''
            while True:
                line = fh.readline()
                if line[72:75] == '  0':
                    break
                else:
                    section_data += line
            self.section[MF, MT] = section_data

        if need_to_close:
            fh.close()

        self._read_header()

    def __repr__(self):
        name = self.target['zsymam'].replace(' ', '')
        return f"<{self.info['sublibrary']} for {name} {self.info['library']}>"

    def _read_header(self):
        file_obj = io.StringIO(self.section[1, 451])

        # Information about target/projectile
        items = get_head_record(file_obj)
        Z, A = divmod(items[0], 1000)
        self.target['atomic_number'] = Z
        self.target['mass_number'] = A
        self.target['mass'] = items[1]
        self._LRP = items[2]
        self.target['fissionable'] = (items[3] == 1)
        try:
            library = _LIBRARY[items[4]]
        except KeyError:
            library = 'Unknown'
        self.info['modification'] = items[5]

        # Control record 1
        items = get_cont_record(file_obj)
        self.target['excitation_energy'] = items[0]
        self.target['stable'] = (int(items[1]) == 0)
        self.target['state'] = items[2]
        self.target['isomeric_state'] = m = items[3]
        self.info['format'] = items[5]
        assert self.info['format'] == 6

        # Set correct excited state for Am242_m1, which is wrong in ENDF/B-VII.1
        if Z == 95 and A == 242 and m == 1:
            self.target['state'] = 2

        # Control record 2
        items = get_cont_record(file_obj)
        self.projectile['mass'] = items[0]
        self.info['energy_max'] = items[1]
        library_release = items[2]
        self.info['sublibrary'] = _SUBLIBRARY[items[4]]
        library_version = items[5]
        self.info['library'] = (library, library_version, library_release)

        # Control record 3
        items = get_cont_record(file_obj)
        self.target['temperature'] = items[0]
        self.info['derived'] = (items[2] > 0)
        NWD = items[4]
        NXC = items[5]

        # Text records
        text = [get_text_record(file_obj) for i in range(NWD)]
        if len(text) >= 5:
            self.target['zsymam'] = text[0][0:11]
            self.info['laboratory'] = text[0][11:22]
            self.info['date'] = text[0][22:32]
            self.info['author'] = text[0][32:66]
            self.info['reference'] = text[1][1:22]
            self.info['date_distribution'] = text[1][22:32]
            self.info['date_release'] = text[1][33:43]
            self.info['date_entry'] = text[1][55:63]
            self.info['identifier'] = text[2:5]
            self.info['description'] = text[5:]
        else:
            self.target['zsymam'] = 'Unknown'

        # File numbers, reaction designations, and number of records
        for i in range(NXC):
            _, _, mf, mt, nc, mod = get_cont_record(file_obj, skip_c=True)
            self.reaction_list.append((mf, mt, nc, mod))

    @property
    def gnds_name(self):
        return gnds_name(self.target['atomic_number'],
                         self.target['mass_number'],
                         self.target['isomeric_state'])


class Tabulated2D:
    """Metadata for a two-dimensional function.

    This is a dummy class that is not really used other than to store the
    interpolation information for a two-dimensional function. Once we refactor
    to adopt GNDS-like data containers, this will probably be removed or
    extended.

    Parameters
    ----------
    breakpoints : Iterable of int
        Breakpoints for interpolation regions
    interpolation : Iterable of int
        Interpolation scheme identification number, e.g., 3 means y is linear in
        ln(x).

    """
    def __init__(self, breakpoints, interpolation):
        self.breakpoints = breakpoints
        self.interpolation = interpolation

1	"""Module for parsing and manipulating data from ENDF evaluations.
2
3	All the classes and functions in this module are based on document ENDF-102
4	titled "Data Formats and Procedures for the Evaluated Nuclear Data File ENDF-6".
5	The version from September 2023 can be found at
6	https://www.nndc.bnl.gov/endfdocs/ENDF-102-2023.pdf
7
8	"""
9	import io	10✔
10	from pathlib import PurePath	10✔
11	import re	10✔
12
13	from .data import gnds_name	10✔
14	from .function import Tabulated1D	10✔
15	from endf.material import _LIBRARY, _SUBLIBRARY	10✔
16	from endf.incident_neutron import SUM_RULES	10✔
17	from endf.records import (	10✔
18	float_endf,
19	py_float_endf,
20	int_endf,
21	get_text_record,
22	get_cont_record,
23	get_head_record,
24	get_list_record,
25	get_tab1_record as _get_tab1_record,
26	get_tab2_record,
27	get_intg_record,
28	)
29
30
31	def get_tab1_record(file_obj):	10✔
32	"""Return data from a TAB1 record in an ENDF-6 file.
33
34	This wraps the endf package's get_tab1_record to return an
35	openmc.data.Tabulated1D (which has HDF5 support and is a Function1D)
36	instead of endf.Tabulated1D.
37	"""
38	params, tab = _get_tab1_record(file_obj)	10✔
39	return params, Tabulated1D(tab.x, tab.y, tab.breakpoints, tab.interpolation)	10✔
40
41
42	def get_evaluations(filename):	10✔
43	"""Return a list of all evaluations within an ENDF file.
44
45	Parameters
46	----------
47	filename : str
48	Path to ENDF-6 formatted file
49
50	Returns
51	-------
52	list
53	A list of :class:`openmc.data.endf.Evaluation` instances.
54
55	"""
56	evaluations = []	10✔
57	with open(str(filename), 'r') as fh:	10✔
58	while True:	10✔
59	pos = fh.tell()	10✔
60	line = fh.readline()	10✔
61	if line[66:70] == ' -1':	10✔
62	break	10✔
63	fh.seek(pos)	10✔
64	evaluations.append(Evaluation(fh))	10✔
65	return evaluations	10✔
66
67
68	class Evaluation:	10✔
69	"""ENDF material evaluation with multiple files/sections
70
71	Parameters
72	----------
73	filename_or_obj : str or file-like
74	Path to ENDF file to read or an open file positioned at the start of an
75	ENDF material
76
77	Attributes
78	----------
79	info : dict
80	Miscellaneous information about the evaluation.
81	target : dict
82	Information about the target material, such as its mass, isomeric state,
83	whether it's stable, and whether it's fissionable.
84	projectile : dict
85	Information about the projectile such as its mass.
86	reaction_list : list of 4-tuples
87	List of sections in the evaluation. The entries of the tuples are the
88	file (MF), section (MT), number of records (NC), and modification
89	indicator (MOD).
90
91	"""
92	def __init__(self, filename_or_obj):	10✔
93	if isinstance(filename_or_obj, (str, PurePath)):	10✔
94	fh = open(str(filename_or_obj), 'r')	10✔
95	need_to_close = True	10✔
96	else:
97	fh = filename_or_obj	10✔
98	need_to_close = False	10✔
99	self.section = {}	10✔
100	self.info = {}	10✔
101	self.target = {}	10✔
102	self.projectile = {}	10✔
103	self.reaction_list = []	10✔
104
105	# Skip TPID record. Evaluators sometimes put in TPID records that are
106	# ill-formated because they lack MF/MT values or put them in the wrong
107	# columns.
108	if fh.tell() == 0:	10✔
109	fh.readline()	10✔
110	MF = 0	10✔
111
112	# Determine MAT number for this evaluation
113	while MF == 0:	10✔
114	position = fh.tell()	10✔
115	line = fh.readline()	10✔
116	MF = int(line[70:72])	10✔
117	self.material = int(line[66:70])	10✔
118	fh.seek(position)	10✔
119
120	while True:	10✔
121	# Find next section
122	while True:	10✔
123	position = fh.tell()	10✔
124	line = fh.readline()	10✔
125	MAT = int(line[66:70])	10✔
126	MF = int(line[70:72])	10✔
127	MT = int(line[72:75])	10✔
128	if MT > 0 or MAT == 0:	10✔
129	fh.seek(position)	10✔
130	break	10✔
131
132	# If end of material reached, exit loop
133	if MAT == 0:	10✔
134	fh.readline()	10✔
135	break	10✔
136
137	section_data = ''	10✔
138	while True:	10✔
139	line = fh.readline()	10✔
140	if line[72:75] == ' 0':	10✔
141	break	10✔
142	else:
143	section_data += line	10✔
144	self.section[MF, MT] = section_data	10✔
145
146	if need_to_close:	10✔
147	fh.close()	10✔
148
149	self._read_header()	10✔
150
151	def __repr__(self):	10✔
UNCOV 152	name = self.target['zsymam'].replace(' ', '')	×
UNCOV 153	return f"<{self.info['sublibrary']} for {name} {self.info['library']}>"	×
154
155	def _read_header(self):	10✔
156	file_obj = io.StringIO(self.section[1, 451])	10✔
157
158	# Information about target/projectile
159	items = get_head_record(file_obj)	10✔
160	Z, A = divmod(items[0], 1000)	10✔
161	self.target['atomic_number'] = Z	10✔
162	self.target['mass_number'] = A	10✔
163	self.target['mass'] = items[1]	10✔
164	self._LRP = items[2]	10✔
165	self.target['fissionable'] = (items[3] == 1)	10✔
166	try:	10✔
167	library = _LIBRARY[items[4]]	10✔
168	except KeyError:	10✔
169	library = 'Unknown'	10✔
170	self.info['modification'] = items[5]	10✔
171
172	# Control record 1
173	items = get_cont_record(file_obj)	10✔
174	self.target['excitation_energy'] = items[0]	10✔
175	self.target['stable'] = (int(items[1]) == 0)	10✔
176	self.target['state'] = items[2]	10✔
177	self.target['isomeric_state'] = m = items[3]	10✔
178	self.info['format'] = items[5]	10✔
179	assert self.info['format'] == 6	10✔
180
181	# Set correct excited state for Am242_m1, which is wrong in ENDF/B-VII.1
182	if Z == 95 and A == 242 and m == 1:	10✔
183	self.target['state'] = 2	10✔
184
185	# Control record 2
186	items = get_cont_record(file_obj)	10✔
187	self.projectile['mass'] = items[0]	10✔
188	self.info['energy_max'] = items[1]	10✔
189	library_release = items[2]	10✔
190	self.info['sublibrary'] = _SUBLIBRARY[items[4]]	10✔
191	library_version = items[5]	10✔
192	self.info['library'] = (library, library_version, library_release)	10✔
193
194	# Control record 3
195	items = get_cont_record(file_obj)	10✔
196	self.target['temperature'] = items[0]	10✔
197	self.info['derived'] = (items[2] > 0)	10✔
198	NWD = items[4]	10✔
199	NXC = items[5]	10✔
200
201	# Text records
202	text = [get_text_record(file_obj) for i in range(NWD)]	10✔
203	if len(text) >= 5:	10✔
204	self.target['zsymam'] = text[0][0:11]	10✔
205	self.info['laboratory'] = text[0][11:22]	10✔
206	self.info['date'] = text[0][22:32]	10✔
207	self.info['author'] = text[0][32:66]	10✔
208	self.info['reference'] = text[1][1:22]	10✔
209	self.info['date_distribution'] = text[1][22:32]	10✔
210	self.info['date_release'] = text[1][33:43]	10✔
211	self.info['date_entry'] = text[1][55:63]	10✔
212	self.info['identifier'] = text[2:5]	10✔
213	self.info['description'] = text[5:]	10✔
214	else:
215	self.target['zsymam'] = 'Unknown'	10✔
216
217	# File numbers, reaction designations, and number of records
218	for i in range(NXC):	10✔
219	_, _, mf, mt, nc, mod = get_cont_record(file_obj, skip_c=True)	10✔
220	self.reaction_list.append((mf, mt, nc, mod))	10✔
221
222	@property	10✔
223	def gnds_name(self):	10✔
224	return gnds_name(self.target['atomic_number'],	10✔
225	self.target['mass_number'],
226	self.target['isomeric_state'])
227
228
229	class Tabulated2D:	10✔
230	"""Metadata for a two-dimensional function.
231
232	This is a dummy class that is not really used other than to store the
233	interpolation information for a two-dimensional function. Once we refactor
234	to adopt GNDS-like data containers, this will probably be removed or
235	extended.
236
237	Parameters
238	----------
239	breakpoints : Iterable of int
240	Breakpoints for interpolation regions
241	interpolation : Iterable of int
242	Interpolation scheme identification number, e.g., 3 means y is linear in
243	ln(x).
244
245	"""
246	def __init__(self, breakpoints, interpolation):	10✔
UNCOV 247	self.breakpoints = breakpoints	×
UNCOV 248	self.interpolation = interpolation	×

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