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Edistr to endf #193

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Edistr to endf #193

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dc92c13
write mf5 and starting point for to_endf
May 6, 2022
b411044
method to_endf
May 6, 2022
216a5fc
test update to_endf
May 6, 2022
8ef74c4
bug in mf5 solve
Jun 9, 2022
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46 changes: 46 additions & 0 deletions sandy/pfns.py
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Original file line number Diff line number Diff line change
Expand Up @@ -527,3 +527,49 @@ def from_endf6(cls, endf6):
if not data:
raise sandy.Error("no tabulated energy distribution was found")
return cls(data)

def to_endf6(self, endf6):
"""
Update cross sections in `Endf6` instance with those available in a
`Fy` instance.

Parameters
----------
`endf6` : `sandy.Endf6`
`Endf6` instance

Returns
-------
`sandy.Endf6`
`Endf6` instance with updated IFY and CFY

Examples
--------
>>> endf6 = sandy.get_endf6_file("jeff_33", "xs", 922380)
>>> edistr = sandy.Edistr.from_endf6(endf6)
>>> out_endf = edistr.to_endf6(endf6)
>>> assert type(out_endf) == sandy.core.endf6.Endf6

>>> out_df = out_endf._get_section_df(9237, 5, 18).apply(pd.to_numeric, errors='coerce').fillna(0)
>>> input_df = endf6._get_section_df(9237, 5, 18).apply(pd.to_numeric, errors='coerce').fillna(0)
>>> assert out_df.equals(input_df)
"""
data = endf6.data.copy()
for (mat, mt, k), data_edistr in self.data.groupby(['MAT', 'MT', 'K']):
sec = endf6.read_section(mat, 5, mt)
new_values = {}
mask = f"MAT == {mat} & MT == {mt} & K == {k}"
data_ein = data_edistr.query(mask)
for ein in data_ein["EIN"].unique():
mask = f"EIN == {ein}"
new_data = data_ein.query(mask)
NBT = len(new_data["EOUT"].values)
new_values[ein] = {
"EOUT": new_data["EOUT"].values,
"EDISTR": new_data["VALUE"].values,
"NBT": [NBT],
"INT": [2],
}
sec["PDISTR"][k]['EIN'] = new_values
data[(mat, 5, mt)] = sandy.sections.mf5.write_mf5(sec)
return sandy.Endf6(data)
121 changes: 121 additions & 0 deletions sandy/sections/mf5.py
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Original file line number Diff line number Diff line change
Expand Up @@ -158,3 +158,124 @@ def read_mf5(tape, mat, mt):
if pdistr:
out["PDISTR"] = pdistr
return out


def write_mf5(sec):
"""
Given the content of MF5 for energy distributions of secondary particles
as nested dictionaries, write it to string.

Parameters
----------
sec : 'dict'
Multiline string reproducing the content of a ENDF-6 section.

Returns
-------
`str`
Multiline string reproducing the content of a ENDF-6 section.

Examples
--------
>>> endf6 = sandy.get_endf6_file("jeff_33", "xs", 922380)
>>> sec = sandy.sections.read_mf5(endf6, 9237, 18)
>>> print(write_mf5(sec)[:1000])
92238.0000 236.005800 0 0 1 09237 5 18 1
0.00000000 0.00000000 0 1 1 29237 5 18 2
2 2 9237 5 18 3
1.000000-5 1.00000000 30000000.0 1.00000000 9237 5 18 4
0.00000000 0.00000000 0 0 1 969237 5 18 5
96 2 9237 5 18 6
0.00000000 1.000000-5 0 0 1 3039237 5 18 7
303 2 9237 5 18 8
1.000000-5 1.95793-12 2.000000-5 2.76893-12 4.000000-5 3.91586-129237 5 18 9
6.000000-5 4.79593-12 8.000000-5 5.53787-12 1.000000-4 6.19152-129237 5 18 10
2.000000-4 8.75614-12 4.000000-4 1.23831-11 6.000000-4 1.51661-119237 5 18 11
8.000000-4 1.75123-11 1.000000-3 1.95793-11 2.000000-3 2.76893-119237 5 18 12
4.000000-3 3.91586-11 6.000

"""
NK = len(sec["PDISTR"])
lines = sandy.write_cont(sec["ZA"], sec["AWR"], 0, 0, NK, 0)
for k, sub_info in sec["PDISTR"].items():
LF = sub_info['LF']
if LF not in [5, 7, 9, 11, 12]:
lines += sandy.write_tab1(0,
0,
0,
LF,
sub_info["NBT_P"],
sub_info["INT_P"],
sub_info["E_P"],
sub_info["P"])
else:
lines += sandy.write_tab1(sub_info['U'], # C1
0, # C2
0, # L1
LF, # L2
sub_info["NBT_P"], # NBT
sub_info["INT_P"], # INT
sub_info["E_P"], # X
sub_info["P"]) # Y
if LF == 5:
lines += sandy.write_tab1(0, # C1
0, # C2
0, # L1
0, # L2
sub_info["NBT_THETA"], # NBT
sub_info["INT_THETA"], # INT
sub_info["E_THETA"], # X
sub_info["THETA"]) # Y
lines += sandy.write_tab1(0, # C1
0, # C2
0, # L1
0, # L2
sub_info["NBT_G"], # NBT
sub_info["INT_G"], # INT
sub_info["E_G"], # X
sub_info["G"]) # Y
elif LF in (7, 9):
lines += sandy.write_tab1(0, # C1
0, # C2
0, # L1
0, # L2
sub_info["NBT_THETA"], # NBT
sub_info["INT_THETA"], # INT
sub_info["E_THETA"], # X
sub_info["THETA"]) # Y
elif LF == 11:
lines += sandy.write_tab1(0, # C1
0, # C2
0, # L1
0, # L2
sub_info["NBT_A"], # NBT
sub_info["INT_A"], # INT
sub_info["E_A"], # X
sub_info["A"]) # Y
lines += sandy.write_tab1(0, # C1
0, # C2
0, # L1
0, # L2
sub_info["NBT_B"], # NBT
sub_info["INT_B"], # INT
sub_info["E_B"], # X
sub_info["B"]) # Y
elif LF == 1:
NZ = len(sub_info['EIN'])
lines += sandy.write_tab2(0, # C1
0, # C2
0, # L1
0, # L2
NZ, # NZ
sub_info["NBT_EIN"], # NBT
sub_info["INT_EIN"]) # INT
for EIN, edistr in sub_info['EIN'].items():
lines += sandy.write_tab1(0, # C1
EIN, # C2
0, # L1
0, # L2
edistr["NBT"], # NBT
edistr["INT"], # INT
edistr["EOUT"], # X
edistr["EDISTR"]) # Y
return "\n".join(sandy.write_eol(lines, sec["MAT"], 5, sec["MT"]))