26783873914

Committed 01 Jun 2026 09:43PM UTC coverage: 81.362% (+0.03%) from 81.333%

Build # 26783873914

Build Type

Pull #3948

github

Committed by

web-flow

Commit Message

Merge 6314ea576 into 111eb7706

Pull Request Pull Request #3948: Fix get_index_in_direction for regular meshes

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96.72

/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 (
    Material,
    _LIBRARY,
    _SUBLIBRARY,
    get_materials as get_evaluations,
)
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)


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

    Parameters
    ----------
    filename_or_obj : str, file-like, or endf.Material
        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):
        self.section = {}
        self.info = {}
        self.target = {}
        self.projectile = {}
        self.reaction_list = []

        if isinstance(filename_or_obj, Material):
            self.section = dict(filename_or_obj.section_text)
            self.section_data = filename_or_obj.section_data
            self.material = filename_or_obj.MAT
            self._read_header()
            return

        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

        # 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'])


def as_evaluation(ev_or_filename):
    """Return an object supporting OpenMC's legacy Evaluation interface."""
    if isinstance(ev_or_filename, Evaluation):
        return ev_or_filename
    else:
        return Evaluation(ev_or_filename)

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	11✔
10	from pathlib import PurePath	11✔
11	import re	11✔
12
13	from .data import gnds_name	11✔
14	from .function import Tabulated1D	11✔
15	from endf.material import (	11✔
16	Material,
17	_LIBRARY,
18	_SUBLIBRARY,
19	get_materials as get_evaluations,
20	)
21	from endf.incident_neutron import SUM_RULES	11✔
22	from endf.records import (	11✔
23	float_endf,
24	py_float_endf,
25	int_endf,
26	get_text_record,
27	get_cont_record,
28	get_head_record,
29	get_list_record,
30	get_tab1_record as _get_tab1_record,
31	get_tab2_record,
32	get_intg_record,
33	)
34
35
36	def get_tab1_record(file_obj):	11✔
37	"""Return data from a TAB1 record in an ENDF-6 file.
38
39	This wraps the endf package's get_tab1_record to return an
40	openmc.data.Tabulated1D (which has HDF5 support and is a Function1D)
41	instead of endf.Tabulated1D.
42	"""
43	params, tab = _get_tab1_record(file_obj)	11✔
44	return params, Tabulated1D(tab.x, tab.y, tab.breakpoints, tab.interpolation)	11✔
45
46
47	class Evaluation:	11✔
48	"""ENDF material evaluation with multiple files/sections
49
50	Parameters
51	----------
52	filename_or_obj : str, file-like, or endf.Material
53	Path to ENDF file to read or an open file positioned at the start of an
54	ENDF material
55
56	Attributes
57	----------
58	info : dict
59	Miscellaneous information about the evaluation.
60	target : dict
61	Information about the target material, such as its mass, isomeric state,
62	whether it's stable, and whether it's fissionable.
63	projectile : dict
64	Information about the projectile such as its mass.
65	reaction_list : list of 4-tuples
66	List of sections in the evaluation. The entries of the tuples are the
67	file (MF), section (MT), number of records (NC), and modification
68	indicator (MOD).
69
70	"""
71	def __init__(self, filename_or_obj):	11✔
72	self.section = {}	11✔
73	self.info = {}	11✔
74	self.target = {}	11✔
75	self.projectile = {}	11✔
76	self.reaction_list = []	11✔
77
78	if isinstance(filename_or_obj, Material):	11✔
79	self.section = dict(filename_or_obj.section_text)	11✔
80	self.section_data = filename_or_obj.section_data	11✔
81	self.material = filename_or_obj.MAT	11✔
82	self._read_header()	11✔
83	return	11✔
84
85	if isinstance(filename_or_obj, (str, PurePath)):	11✔
86	fh = open(str(filename_or_obj), 'r')	11✔
87	need_to_close = True	11✔
88	else:
UNCOV 89	fh = filename_or_obj	×
UNCOV 90	need_to_close = False	×
91
92	# Skip TPID record. Evaluators sometimes put in TPID records that are
93	# ill-formated because they lack MF/MT values or put them in the wrong
94	# columns.
95	if fh.tell() == 0:	11✔
96	fh.readline()	11✔
97	MF = 0	11✔
98
99	# Determine MAT number for this evaluation
100	while MF == 0:	11✔
101	position = fh.tell()	11✔
102	line = fh.readline()	11✔
103	MF = int(line[70:72])	11✔
104	self.material = int(line[66:70])	11✔
105	fh.seek(position)	11✔
106
107	while True:	11✔
108	# Find next section
109	while True:	11✔
110	position = fh.tell()	11✔
111	line = fh.readline()	11✔
112	MAT = int(line[66:70])	11✔
113	MF = int(line[70:72])	11✔
114	MT = int(line[72:75])	11✔
115	if MT > 0 or MAT == 0:	11✔
116	fh.seek(position)	11✔
117	break	11✔
118
119	# If end of material reached, exit loop
120	if MAT == 0:	11✔
121	fh.readline()	11✔
122	break	11✔
123
124	section_data = ''	11✔
125	while True:	11✔
126	line = fh.readline()	11✔
127	if line[72:75] == ' 0':	11✔
128	break	11✔
129	else:
130	section_data += line	11✔
131	self.section[MF, MT] = section_data	11✔
132
133	if need_to_close:	11✔
134	fh.close()	11✔
135
136	self._read_header()	11✔
137
138	def __repr__(self):	11✔
UNCOV 139	name = self.target['zsymam'].replace(' ', '')	×
UNCOV 140	return f"<{self.info['sublibrary']} for {name} {self.info['library']}>"	×
141
142	def _read_header(self):	11✔
143	file_obj = io.StringIO(self.section[1, 451])	11✔
144
145	# Information about target/projectile
146	items = get_head_record(file_obj)	11✔
147	Z, A = divmod(items[0], 1000)	11✔
148	self.target['atomic_number'] = Z	11✔
149	self.target['mass_number'] = A	11✔
150	self.target['mass'] = items[1]	11✔
151	self._LRP = items[2]	11✔
152	self.target['fissionable'] = (items[3] == 1)	11✔
153	try:	11✔
154	library = _LIBRARY[items[4]]	11✔
155	except KeyError:	11✔
156	library = 'Unknown'	11✔
157	self.info['modification'] = items[5]	11✔
158
159	# Control record 1
160	items = get_cont_record(file_obj)	11✔
161	self.target['excitation_energy'] = items[0]	11✔
162	self.target['stable'] = (int(items[1]) == 0)	11✔
163	self.target['state'] = items[2]	11✔
164	self.target['isomeric_state'] = m = items[3]	11✔
165	self.info['format'] = items[5]	11✔
166	assert self.info['format'] == 6	11✔
167
168	# Set correct excited state for Am242_m1, which is wrong in ENDF/B-VII.1
169	if Z == 95 and A == 242 and m == 1:	11✔
170	self.target['state'] = 2	11✔
171
172	# Control record 2
173	items = get_cont_record(file_obj)	11✔
174	self.projectile['mass'] = items[0]	11✔
175	self.info['energy_max'] = items[1]	11✔
176	library_release = items[2]	11✔
177	self.info['sublibrary'] = _SUBLIBRARY[items[4]]	11✔
178	library_version = items[5]	11✔
179	self.info['library'] = (library, library_version, library_release)	11✔
180
181	# Control record 3
182	items = get_cont_record(file_obj)	11✔
183	self.target['temperature'] = items[0]	11✔
184	self.info['derived'] = (items[2] > 0)	11✔
185	NWD = items[4]	11✔
186	NXC = items[5]	11✔
187
188	# Text records
189	text = [get_text_record(file_obj) for i in range(NWD)]	11✔
190	if len(text) >= 5:	11✔
191	self.target['zsymam'] = text[0][0:11]	11✔
192	self.info['laboratory'] = text[0][11:22]	11✔
193	self.info['date'] = text[0][22:32]	11✔
194	self.info['author'] = text[0][32:66]	11✔
195	self.info['reference'] = text[1][1:22]	11✔
196	self.info['date_distribution'] = text[1][22:32]	11✔
197	self.info['date_release'] = text[1][33:43]	11✔
198	self.info['date_entry'] = text[1][55:63]	11✔
199	self.info['identifier'] = text[2:5]	11✔
200	self.info['description'] = text[5:]	11✔
201	else:
202	self.target['zsymam'] = 'Unknown'	11✔
203
204	# File numbers, reaction designations, and number of records
205	for i in range(NXC):	11✔
206	_, _, mf, mt, nc, mod = get_cont_record(file_obj, skip_c=True)	11✔
207	self.reaction_list.append((mf, mt, nc, mod))	11✔
208
209	@property	11✔
210	def gnds_name(self):	11✔
211	return gnds_name(self.target['atomic_number'],	11✔
212	self.target['mass_number'],
213	self.target['isomeric_state'])
214
215
216	def as_evaluation(ev_or_filename):	11✔
217	"""Return an object supporting OpenMC's legacy Evaluation interface."""
218	if isinstance(ev_or_filename, Evaluation):	11✔
219	return ev_or_filename	11✔
220	else:
221	return Evaluation(ev_or_filename)	11✔

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