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making use of endf-python package more (#3786)
Co-authored-by: GuySten <guyste@post.bgu.ac.il>
This commit is contained in:
Jonathan Shimwell
GitHub
parent
4f4930b633
commit
8053111f2d
2 changed files with 24 additions and 272 deletions
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@ -24,7 +24,7 @@ import numpy as np
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import openmc.checkvalue as cv
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from openmc.mixin import EqualityMixin
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from .data import ATOMIC_SYMBOL, gnds_name, EV_PER_MEV, K_BOLTZMANN
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from .endf import ENDF_FLOAT_RE
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from endf.records import ENDF_FLOAT_RE
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def get_metadata(zaid, metastable_scheme='nndc'):
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@ -10,11 +10,31 @@ import io
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from pathlib import PurePath
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import re
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import numpy as np
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from .data import gnds_name
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from .function import Tabulated1D
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from endf.records import float_endf
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from endf.records import (
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float_endf,
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py_float_endf,
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int_endf,
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get_text_record,
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get_cont_record,
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get_head_record,
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get_list_record,
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get_tab1_record as _get_tab1_record,
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get_tab2_record,
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get_intg_record,
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)
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def get_tab1_record(file_obj):
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"""Return data from a TAB1 record in an ENDF-6 file.
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This wraps the endf package's get_tab1_record to return an
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openmc.data.Tabulated1D (which has HDF5 support and is a Function1D)
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instead of endf.Tabulated1D.
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"""
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params, tab = _get_tab1_record(file_obj)
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return params, Tabulated1D(tab.x, tab.y, tab.breakpoints, tab.interpolation)
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_LIBRARY = {0: 'ENDF/B', 1: 'ENDF/A', 2: 'JEFF', 3: 'EFF',
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@ -61,274 +81,6 @@ SUM_RULES = {1: [2, 3],
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106: list(range(750, 800)),
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107: list(range(800, 850))}
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ENDF_FLOAT_RE = re.compile(r'([\s\-\+]?\d*\.\d+)([\+\-]) ?(\d+)')
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def py_float_endf(s):
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"""Convert string of floating point number in ENDF to float.
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The ENDF-6 format uses an 'e-less' floating point number format,
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e.g. -1.23481+10. Trying to convert using the float built-in won't work
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because of the lack of an 'e'. This function allows such strings to be
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converted while still allowing numbers that are not in exponential notation
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to be converted as well.
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Parameters
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----------
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s : str
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Floating-point number from an ENDF file
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Returns
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-------
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float
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The number
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"""
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return float(ENDF_FLOAT_RE.sub(r'\1e\2\3', s))
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def int_endf(s):
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"""Convert string of integer number in ENDF to int.
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The ENDF-6 format technically allows integers to be represented by a field
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of all blanks. This function acts like int(s) except when s is a string of
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all whitespace, in which case zero is returned.
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Parameters
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----------
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s : str
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Integer or spaces
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Returns
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-------
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integer
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The number or 0
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"""
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return 0 if s.isspace() else int(s)
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def get_text_record(file_obj):
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"""Return data from a TEXT record in an ENDF-6 file.
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Parameters
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----------
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file_obj : file-like object
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ENDF-6 file to read from
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Returns
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-------
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str
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Text within the TEXT record
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"""
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return file_obj.readline()[:66]
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def get_cont_record(file_obj, skip_c=False):
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"""Return data from a CONT record in an ENDF-6 file.
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Parameters
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----------
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file_obj : file-like object
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ENDF-6 file to read from
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skip_c : bool
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Determine whether to skip the first two quantities (C1, C2) of the CONT
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record.
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Returns
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-------
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tuple
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The six items within the CONT record
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"""
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line = file_obj.readline()
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if skip_c:
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C1 = None
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C2 = None
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else:
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C1 = float_endf(line[:11])
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C2 = float_endf(line[11:22])
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L1 = int_endf(line[22:33])
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L2 = int_endf(line[33:44])
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N1 = int_endf(line[44:55])
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N2 = int_endf(line[55:66])
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return (C1, C2, L1, L2, N1, N2)
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def get_head_record(file_obj):
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"""Return data from a HEAD record in an ENDF-6 file.
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Parameters
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----------
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file_obj : file-like object
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ENDF-6 file to read from
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Returns
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-------
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tuple
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The six items within the HEAD record
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"""
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line = file_obj.readline()
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ZA = int(float_endf(line[:11]))
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AWR = float_endf(line[11:22])
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L1 = int_endf(line[22:33])
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L2 = int_endf(line[33:44])
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N1 = int_endf(line[44:55])
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N2 = int_endf(line[55:66])
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return (ZA, AWR, L1, L2, N1, N2)
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def get_list_record(file_obj):
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"""Return data from a LIST record in an ENDF-6 file.
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Parameters
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----------
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file_obj : file-like object
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ENDF-6 file to read from
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Returns
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-------
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list
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The six items within the header
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list
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The values within the list
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"""
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# determine how many items are in list
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items = get_cont_record(file_obj)
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NPL = items[4]
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# read items
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b = []
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for i in range((NPL - 1)//6 + 1):
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line = file_obj.readline()
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n = min(6, NPL - 6*i)
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for j in range(n):
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b.append(float_endf(line[11*j:11*(j + 1)]))
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return (items, b)
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def get_tab1_record(file_obj):
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"""Return data from a TAB1 record in an ENDF-6 file.
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Parameters
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----------
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file_obj : file-like object
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ENDF-6 file to read from
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Returns
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-------
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list
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The six items within the header
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openmc.data.Tabulated1D
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The tabulated function
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"""
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# Determine how many interpolation regions and total points there are
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line = file_obj.readline()
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C1 = float_endf(line[:11])
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C2 = float_endf(line[11:22])
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L1 = int_endf(line[22:33])
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L2 = int_endf(line[33:44])
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n_regions = int_endf(line[44:55])
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n_pairs = int_endf(line[55:66])
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params = [C1, C2, L1, L2]
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# Read the interpolation region data, namely NBT and INT
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breakpoints = np.zeros(n_regions, dtype=int)
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interpolation = np.zeros(n_regions, dtype=int)
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m = 0
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for i in range((n_regions - 1)//3 + 1):
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line = file_obj.readline()
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to_read = min(3, n_regions - m)
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for j in range(to_read):
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breakpoints[m] = int_endf(line[0:11])
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interpolation[m] = int_endf(line[11:22])
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line = line[22:]
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m += 1
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# Read tabulated pairs x(n) and y(n)
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x = np.zeros(n_pairs)
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y = np.zeros(n_pairs)
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m = 0
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for i in range((n_pairs - 1)//3 + 1):
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line = file_obj.readline()
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to_read = min(3, n_pairs - m)
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for j in range(to_read):
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x[m] = float_endf(line[:11])
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y[m] = float_endf(line[11:22])
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line = line[22:]
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m += 1
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return params, Tabulated1D(x, y, breakpoints, interpolation)
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def get_tab2_record(file_obj):
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# Determine how many interpolation regions and total points there are
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params = get_cont_record(file_obj)
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n_regions = params[4]
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# Read the interpolation region data, namely NBT and INT
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breakpoints = np.zeros(n_regions, dtype=int)
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interpolation = np.zeros(n_regions, dtype=int)
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m = 0
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for i in range((n_regions - 1)//3 + 1):
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line = file_obj.readline()
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to_read = min(3, n_regions - m)
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for j in range(to_read):
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breakpoints[m] = int(line[0:11])
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interpolation[m] = int(line[11:22])
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line = line[22:]
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m += 1
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return params, Tabulated2D(breakpoints, interpolation)
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def get_intg_record(file_obj):
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"""
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Return data from an INTG record in an ENDF-6 file. Used to store the
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covariance matrix in a compact format.
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Parameters
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----------
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file_obj : file-like object
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ENDF-6 file to read from
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Returns
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-------
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numpy.ndarray
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The correlation matrix described in the INTG record
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"""
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# determine how many items are in list and NDIGIT
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items = get_cont_record(file_obj)
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ndigit = items[2]
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npar = items[3] # Number of parameters
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nlines = items[4] # Lines to read
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NROW_RULES = {2: 18, 3: 12, 4: 11, 5: 9, 6: 8}
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nrow = NROW_RULES[ndigit]
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# read lines and build correlation matrix
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corr = np.identity(npar)
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for i in range(nlines):
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line = file_obj.readline()
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ii = int_endf(line[:5]) - 1 # -1 to account for 0 indexing
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jj = int_endf(line[5:10]) - 1
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factor = 10**ndigit
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for j in range(nrow):
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if jj+j >= ii:
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break
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element = int_endf(line[11+(ndigit+1)*j:11+(ndigit+1)*(j+1)])
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if element > 0:
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corr[ii, jj] = (element+0.5)/factor
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elif element < 0:
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corr[ii, jj] = (element-0.5)/factor
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# Symmetrize the correlation matrix
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corr = corr + corr.T - np.diag(corr.diagonal())
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return corr
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def get_evaluations(filename):
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"""Return a list of all evaluations within an ENDF file.
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