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Add nubar information #222

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Add nubar information #222

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12 changes: 12 additions & 0 deletions sandy/core/endf6.py
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Original file line number Diff line number Diff line change
Expand Up @@ -1871,7 +1871,13 @@ def get_errorr(self,
12 /
1.00000e-05 3.00000e-02 5.80000e-02 1.40000e-01 2.80000e-01 3.50000e-01 6.25000e-01 4.00000e+00 4.80520e+01 5.53000e+03 8.21000e+05 2.23100e+06 1.00000e+07 /
3/
3 452 'nu' /
3 455 'nu' /
3 456 'nu' /
3 251 'mubar' /
3 252 'xi' /
3 253 'gamma' /
3 259 '1_v' /
5/
5 18 'chi' /
0/
Expand Down Expand Up @@ -2317,7 +2323,13 @@ def get_gendf(self,
12 /
1.00000e-05 3.00000e-02 5.80000e-02 1.40000e-01 2.80000e-01 3.50000e-01 6.25000e-01 4.00000e+00 4.80520e+01 5.53000e+03 8.21000e+05 2.23100e+06 1.00000e+07 /
3/
3 452 'nu' /
3 455 'nu' /
3 456 'nu' /
3 251 'mubar' /
3 252 'xi' /
3 253 'gamma' /
3 259 '1_v' /
5/
5 18 'chi' /
0/
Expand Down
54 changes: 40 additions & 14 deletions sandy/njoy.py
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Original file line number Diff line number Diff line change
Expand Up @@ -81,6 +81,7 @@
import pdb
import tempfile
import subprocess as sp
import pytest

import pandas as pd
import numpy as np
Expand Down Expand Up @@ -186,6 +187,7 @@
NJOY_TEMPERATURES = [293.6]
NJOY_SIG0 = [1e10]
NJOY_THERMR_EMAX = 10
banned_xs = [251, 252, 253, 259, 452, 455, 459]


def get_njoy():
Expand Down Expand Up @@ -791,7 +793,7 @@ def _groupr_input(endfin, pendfin, gendfout, mat,
iwt_groupr=2, lord=0, sigz=[1e+10],
temp=NJOY_TEMPERATURES[0],
spectrum_groupr=None, mt=None,
iprint=False, nubar=False, mubar=False, chi=False,
iprint=False, nubar=False, mubar=False, chi=False, xs=True,
nuclide_production=False,
**kwargs):
"""
Expand All @@ -807,8 +809,6 @@ def _groupr_input(endfin, pendfin, gendfout, mat,
tape number for output PENDF file
mat : `int`
MAT number
chi : `bool`, optional
Process chi (default is `False`)
ek_groupr : iterable, optional
derived cross section energy bounds (default is None)
ep : iterable, optional
Expand All @@ -830,6 +830,10 @@ def _groupr_input(endfin, pendfin, gendfout, mat,
mt: `int` or iterable of `int`, optional
run groupr only for the selected MT numbers
(default is `None`, i.e., process all MT)
chi : `bool`, optional
Process chi (default is `False`)
xs : `bool`, optional
Process multigroup cross sections (default is `True`)
mubar : `bool`, optional
Proccess mubar (default is `False`)
nubar : `bool`, optional
Expand All @@ -848,6 +852,12 @@ def _groupr_input(endfin, pendfin, gendfout, mat,
`str`
groupr input text

Raises
------
`SyntaxError`
if xs=True and the selected mt is not appropriate, i.e. if it
corresponds to nubar or mubar information

Examples
--------
Default test without keyword arguments
Expand Down Expand Up @@ -951,27 +961,28 @@ def _groupr_input(endfin, pendfin, gendfout, mat,
0/

Test mubar:
>>> print(sandy.njoy._groupr_input(20, 21, 22, 9237, mubar=True))
>>> print(sandy.njoy._groupr_input(20, 21, 22, 9237, mubar=True, xs=False))
groupr
20 21 0 22 /
9237 2 0 2 0 1 1 0 /
'sandy runs groupr' /
293.6/
10000000000.0/
3/
3 251 'mubar' /
3 252 'xi' /
3 253 'gamma' /
3 259 '1_v' /
0/
0/

Test chi:
>>> print(sandy.njoy._groupr_input(20, 21, 22, 9237, chi=True))
>>> print(sandy.njoy._groupr_input(20, 21, 22, 9237, chi=True, xs=False))
groupr
20 21 0 22 /
9237 2 0 2 0 1 1 0 /
'sandy runs groupr' /
293.6/
10000000000.0/
3/
5/
5 18 'chi' /
0/
Expand Down Expand Up @@ -1013,7 +1024,10 @@ def _groupr_input(endfin, pendfin, gendfout, mat,
10000000000.0/
3 2 /
0/
0/
0/

Test the wrong mt number:
>>> with pytest.raises(SyntaxError): sandy.njoy._groupr_input(20, 21, 0, 22, 9237, mt=[102, 455])
"""
iwt_ = 1 if spectrum_groupr is not None else iwt_groupr
ign_ = 1 if ek_groupr is not None else ign_groupr
Expand Down Expand Up @@ -1042,14 +1056,26 @@ def _groupr_input(endfin, pendfin, gendfout, mat,
spectrum_groupr[1::2]))
text += [tab1]
text += ["/"]
if mt is None:
text += ["3/"] # by default process all cross sections (MF=3)
else:
mtlist = [mt] if isinstance(mt, int) else mt
for mt_ in mtlist:
text += [f"3 {mt_:d} /"]
if xs:
if mt is None:
text += ["3/"] # by default process all cross sections (MF=3)
else:
mtlist = [mt] if isinstance(mt, int) else mt
for xs_ban in banned_xs:
if xs_ban in mtlist:
raise SyntaxError("Introduced mt is not appropriate for xs")
else:
for mt_ in mtlist:
text += [f"3 {mt_:d} /"]
if nubar:
text += ["3 452 'nu' /"]
text += ["3 455 'nu' /"]
text += ["3 456 'nu' /"]
if mubar:
text += ["3 251 'mubar' /"]
text += ["3 252 'xi' /"]
text += ["3 253 'gamma' /"]
text += ["3 259 '1_v' /"]
if chi:
text += ["5/"]
text += ["5 18 'chi' /"]
Expand Down