making use of endf-python package more

openmc/data/ace.py

@@ -24,7 +24,7 @@
 import openmc.checkvalue as cv
 from openmc.mixin import EqualityMixin
 from .data import ATOMIC_SYMBOL, gnds_name, EV_PER_MEV, K_BOLTZMANN
-from .endf import ENDF_FLOAT_RE
+from endf.records import ENDF_FLOAT_RE
 
 
 def get_metadata(zaid, metastable_scheme='nndc'):

openmc/data/endf.py

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