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Changes in data/ace.py from PullRequest Inc. review

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Paul Romano 2020-04-01 08:44:02 -05:00
parent e34a71b448
commit b116b8f3ab
1 changed files with 62 additions and 62 deletions
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124
openmc/data/ace.py
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@ -24,7 +24,7 @@ import numpy as np
from openmc.mixin import EqualityMixin
import openmc.checkvalue as cv
from .data import ATOMIC_SYMBOL, gnd_name
from .data import ATOMIC_SYMBOL, gnd_name, EV_PER_MEV, K_BOLTZMANN
from .endf import ENDF_FLOAT_RE
@ -105,66 +105,59 @@ def ascii_to_binary(ascii_file, binary_file):
"""
# Open ASCII file
ascii = open(str(ascii_file), 'r')
# Read data from ASCII file
with open(str(ascii_file), 'r') as ascii_file:
lines = ascii_file.readlines()
# Set default record length
record_length = 4096
# Read data from ASCII file
lines = ascii.readlines()
ascii.close()
# Open binary file
binary = open(str(binary_file), 'wb')
with open(str(binary_file), 'wb') as binary_file:
idx = 0
while idx < len(lines):
# check if it's a > 2.0.0 version header
if lines[idx].split()[0][1] == '.':
if lines[idx + 1].split()[3] == '3':
idx = idx + 3
else:
raise NotImplementedError('Only backwards compatible ACE'
'headers currently supported')
# Read/write header block
hz = lines[idx][:10].encode()
aw0 = float(lines[idx][10:22])
tz = float(lines[idx][22:34])
hd = lines[idx][35:45].encode()
hk = lines[idx + 1][:70].encode()
hm = lines[idx + 1][70:80].encode()
binary_file.write(struct.pack(str('=10sdd10s70s10s'),
hz, aw0, tz, hd, hk, hm))
idx = 0
# Read/write IZ/AW pairs
data = ' '.join(lines[idx + 2:idx + 6]).split()
iz = np.array(data[::2], dtype=int)
aw = np.array(data[1::2], dtype=float)
izaw = [item for sublist in zip(iz, aw) for item in sublist]
binary_file.write(struct.pack(str('=' + 16*'id'), *izaw))
while idx < len(lines):
# check if it's a > 2.0.0 version header
if lines[idx].split()[0][1] == '.':
if lines[idx + 1].split()[3] == '3':
idx = idx + 3
else:
raise NotImplementedError('Only backwards compatible ACE'
'headers currently supported')
# Read/write header block
hz = lines[idx][:10].encode('UTF-8')
aw0 = float(lines[idx][10:22])
tz = float(lines[idx][22:34])
hd = lines[idx][35:45].encode('UTF-8')
hk = lines[idx + 1][:70].encode('UTF-8')
hm = lines[idx + 1][70:80].encode('UTF-8')
binary.write(struct.pack(str('=10sdd10s70s10s'), hz, aw0, tz, hd, hk, hm))
# Read/write NXS and JXS arrays. Null bytes are added at the end so
# that XSS will start at the second record
nxs = [int(x) for x in ' '.join(lines[idx + 6:idx + 8]).split()]
jxs = [int(x) for x in ' '.join(lines[idx + 8:idx + 12]).split()]
binary_file.write(struct.pack(str('=16i32i{}x'.format(record_length - 500)),
*(nxs + jxs)))
# Read/write IZ/AW pairs
data = ' '.join(lines[idx + 2:idx + 6]).split()
iz = list(map(int, data[::2]))
aw = list(map(float, data[1::2]))
izaw = [item for sublist in zip(iz, aw) for item in sublist]
binary.write(struct.pack(str('=' + 16*'id'), *izaw))
# Read/write XSS array. Null bytes are added to form a complete record
# at the end of the file
n_lines = (nxs[0] + 3)//4
start = idx + _ACE_HEADER_SIZE
xss = np.fromstring(' '.join(lines[start:start + n_lines]), sep=' ')
extra_bytes = record_length - ((len(xss)*8 - 1) % record_length + 1)
binary_file.write(struct.pack(str('={}d{}x'.format(
nxs[0], extra_bytes)), *xss))
# Read/write NXS and JXS arrays. Null bytes are added at the end so
# that XSS will start at the second record
nxs = list(map(int, ' '.join(lines[idx + 6:idx + 8]).split()))
jxs = list(map(int, ' '.join(lines[idx + 8:idx + 12]).split()))
binary.write(struct.pack(str('=16i32i{0}x'.format(record_length - 500)),
*(nxs + jxs)))
# Read/write XSS array. Null bytes are added to form a complete record
# at the end of the file
n_lines = (nxs[0] + 3)//4
xss = list(map(float, ' '.join(lines[
idx + 12:idx + 12 + n_lines]).split()))
extra_bytes = record_length - ((len(xss)*8 - 1) % record_length + 1)
binary.write(struct.pack(str('={0}d{1}x'.format(nxs[0], extra_bytes)),
*xss))
# Advance to next table in file
idx += 12 + n_lines
# Close binary file
binary.close()
# Advance to next table in file
idx += _ACE_HEADER_SIZE + n_lines
def get_table(filename, name=None):
@ -196,6 +189,11 @@ def get_table(filename, name=None):
.format(name))
# The beginning of an ASCII ACE file consists of 12 lines that include the name,
# atomic weight ratio, iz/aw pairs, and the NXS and JXS arrays
_ACE_HEADER_SIZE = 12
class Library(EqualityMixin):
"""A Library objects represents an ACE-formatted file which may contain
multiple tables with data.
@ -297,15 +295,15 @@ class Library(EqualityMixin):
continue
if verbose:
kelvin = round(temperature * 1e6 / 8.617342e-5)
print("Loading nuclide {0} at {1} K".format(name, kelvin))
kelvin = round(temperature * EV_PER_MEV / K_BOLTZMANN)
print("Loading nuclide {} at {} K".format(name, kelvin))
# Read JXS
jxs = list(struct.unpack(str('=32i'), ace_file.read(128)))
# Read XSS
ace_file.seek(start_position + recl_length)
xss = list(struct.unpack(str('={0}d'.format(length)),
xss = list(struct.unpack(str('={}d'.format(length)),
ace_file.read(length*8)))
# Insert zeros at beginning of NXS, JXS, and XSS arrays so that the
@ -345,7 +343,7 @@ class Library(EqualityMixin):
tables_seen = set()
lines = [ace_file.readline() for i in range(13)]
lines = [ace_file.readline() for i in range(_ACE_HEADER_SIZE + 1)]
while len(lines) != 0 and lines[0].strip() != '':
# Read name of table, atomic mass ratio, and temperature. If first
@ -375,6 +373,8 @@ class Library(EqualityMixin):
datastr = '0 ' + ' '.join(lines[6:8])
nxs = np.fromstring(datastr, sep=' ', dtype=int)
# Detemrine number of lines in the XSS array; each line consists of
# four values
n_lines = (nxs[1] + 3)//4
# Ensure that we have more tables to read in
@ -386,23 +386,23 @@ class Library(EqualityMixin):
if (table_names is not None) and (name not in table_names):
for _ in range(n_lines - 1):
ace_file.readline()
lines = [ace_file.readline() for i in range(13)]
lines = [ace_file.readline() for i in range(_ACE_HEADER_SIZE + 1)]
continue
# Read lines corresponding to this table
lines += [ace_file.readline() for i in range(n_lines - 1)]
if verbose:
kelvin = round(temperature * 1e6 / 8.617342e-5)
print("Loading nuclide {0} at {1} K".format(name, kelvin))
kelvin = round(temperature * EV_PER_MEV / K_BOLTZMANN)
print("Loading nuclide {} at {} K".format(name, kelvin))
# Insert zeros at beginning of NXS, JXS, and XSS arrays so that the
# indexing will be the same as Fortran. This makes it easier to
# follow the ACE format specification.
datastr = '0 ' + ' '.join(lines[8:12])
datastr = '0 ' + ' '.join(lines[8:_ACE_HEADER_SIZE])
jxs = np.fromstring(datastr, dtype=int, sep=' ')
datastr = '0.0 ' + ''.join(lines[12:12+n_lines])
datastr = '0.0 ' + ''.join(lines[_ACE_HEADER_SIZE:_ACE_HEADER_SIZE + n_lines])
xss = np.fromstring(datastr, sep=' ')
# When NJOY writes an ACE file, any values less than 1e-100 actually
@ -421,7 +421,7 @@ class Library(EqualityMixin):
self.tables.append(table)
# Read all data blocks
lines = [ace_file.readline() for i in range(13)]
lines = [ace_file.readline() for i in range(_ACE_HEADER_SIZE + 1)]
class TableType(enum.Enum):