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Fix C-model post processing and error propagation #502

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Fix C-model post processing and error propagation #502

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735331b
add more realistic test for C-model
Mar 26, 2026
321f6ab
trigger the excel issue and fix the error propagation
dodu94 Mar 26, 2026
5386cb8
fix percentage error test
dodu94 Mar 26, 2026
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8 changes: 4 additions & 4 deletions src/jade/post/manipulate_tally.py
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Original file line number Diff line number Diff line change
Expand Up @@ -74,7 +74,7 @@ def condense_groups(
tally[group_column] = tally["coarse_bin"].apply(
lambda x: f"{x.left:g} - {x.right:g}" if pd.notna(x) else np.nan
)
'''
"""
labels = [f"{bins[i]:g} - {bins[i+1]:g}" for i in range(len(bins) - 1)]

tally[group_column] = pd.cut(
Expand All @@ -83,7 +83,7 @@ def condense_groups(
right=False,
labels=labels,
)
'''
"""
del tally["coarse_bin"]
grouped = tally.groupby(group_column, observed=False).agg(
{"Value": "sum", "abs err": lambda x: math.sqrt((x**2).sum())}
Expand Down Expand Up @@ -510,7 +510,7 @@ def compare_data(
for v1, v2, e1, e2 in zip(val1, val2, err1, err2):
if v1 != v2:
error.append(
np.sqrt((v1 * e1) ** 2 + (v2 * e2) ** 2) / (v1 - v2)
np.abs(np.sqrt((v1 * e1) ** 2 + (v2 * e2) ** 2) / (v1 - v2))
) # relative error propagation for substraction
else:
error.append(
Expand All @@ -521,7 +521,7 @@ def compare_data(
for v1, v2, e1, e2 in zip(val1, val2, err1, err2):
if v1 != v2:
error.append(
np.sqrt((v1 * v2 * e1) ** 2 + (v2 * e2) ** 2) / (v1 - v2)
np.abs(np.sqrt((v2 * e1) ** 2 + (v2 * e2) ** 2) / (v1 - v2))
) # relative error propagation for percentage
else:
error.append(
Expand Down
24 changes: 12 additions & 12 deletions src/jade/resources/default_cfg/benchmarks_pp/atlas/C-Model.yaml
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Original file line number Diff line number Diff line change
@@ -1,70 +1,70 @@
Neutron current on plasma boundary 0:
Neutron current on plasma boundary (uncollided):
results:
- Neutron current on plasma boundary
plot_type: barplot
title: Neutron current on plasma boundary
title: Neutron current on plasma boundary (uncollided)
x_label: BLK n. #
y_labels: "Neutron current $\\left[\\mathrm{cm}^{-2}\\cdot\\mathrm{s}^{-1}\\right]$"
x: BLK n.
y: Value
subsets:
[
{
"result": "Neutron current on plasma boundary_0",
"result": "Neutron current on plasma boundary",
"values": { "User": [0] },
},
]
plot_args:
log: true
Neutron current on plasma boundary 1:
Neutron current on plasma boundary (collided):
results:
- Neutron current on plasma boundary
plot_type: barplot
title: Neutron current on plasma boundary
title: Neutron current on plasma boundary (collided)
x_label: BLK n. #
y_labels: "Neutron current $\\left[\\mathrm{cm}^{-2}\\cdot\\mathrm{s}^{-1}\\right]$"
x: BLK n.
y: Value
subsets:
[
{
"result": "Neutron current on plasma boundary_1",
"result": "Neutron current on plasma boundary",
"values": { "User": [1] },
},
]

Neutron flux on plasma boundary 0:
Neutron flux on plasma boundary (uncollided):
results:
- Neutron flux on plasma boundary
plot_type: barplot
title: Neutron flux on plasma boundary
title: Neutron flux on plasma boundary (uncollided)
x_label: BLK n. #
y_labels: "Neutron flux $\\left[\\mathrm{cm}^{-2}\\cdot\\mathrm{s}^{-1}\\right]$"
x: BLK n.
y: Value
subsets:
[
{
"result": "Neutron flux on plasma boundary 0",
"result": "Neutron flux on plasma boundary",
"values": { "User": [0] },
},
]
plot_args:
log: true

Neutron flux on plasma boundary 1:
Neutron flux on plasma boundary (collided):
results:
- Neutron flux on plasma boundary
plot_type: barplot
title: Neutron flux on plasma boundary
title: Neutron flux on plasma boundary (collided)
x_label: BLK n. #
y_labels: "Neutron flux $\\left[\\mathrm{cm}^{-2}\\cdot\\mathrm{s}^{-1}\\right]$"
x: BLK n.
y: Value
subsets:
[
{
"result": "Neutron flux on plasma boundary 1",
"result": "Neutron flux on plasma boundary",
"values": { "User": [1] },
},
]
Expand Down
58 changes: 58 additions & 0 deletions ..._structure/raw_data/_mcnp_-_ENDFB-VIII.0_/C-Model/C-Model NUCLEAR HEAT IN BLANKET [W].csv
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Original file line number Diff line number Diff line change
@@ -0,0 +1,58 @@
Cells,Value,Error,Components
4,333399.0,0.0004,BM01_C03
5,667384.0,0.0003,BM01_C02
6,333787.0,0.0004,BM01_C01
7,443924.0,0.0003,BM02_C03
8,887347.0,0.0002,BM02_C02
9,443758.0,0.0003,BM02_C01
10,507546.0,0.0003,BM03_C03
11,1015350.0,0.0002,BM03_C02
12,507850.0,0.0003,BM03_C01
13,505318.0,0.0003,BM04_C03
14,1011800.0,0.0002,BM04_C02
15,506171.0,0.0003,BM04_C01
16,421456.0,0.0003,BM05_C03
17,842847.0,0.0002,BM05_C02
18,421320.0,0.0003,BM05_C01
19,339154.0,0.0004,BM06_C03
20,678453.0,0.0003,BM06_C02
21,339225.0,0.0004,BM06_C01
22,1065710.0,0.0002,7-8-9_-20deg
23,2134420.0,0.0002,7-8-9_cen
24,1067180.0,0.0002,7-8-9_+20deg
25,976525.0,0.0002,BM10_1
26,976181.0,0.0002,BM10_2
27,455274.0,0.0003,BM11_C01
28,991367.0,0.0002,BM11_S02
29,915660.0,0.0002,BM11_C02
30,992722.0,0.0002,BM11_S01
31,456304.0,0.0003,BM11_C01_2
32,448297.0,0.0003,BM12_C03
33,903202.0,0.0002,BM12_S02
34,894814.0,0.0002,BM12_C02
35,903392.0,0.0002,BM12_S01
36,448078.0,0.0003,BM12_C01
37,609970.0,0.0003,BM13_C03
38,1043720.0,0.0002,BM13_S02
39,1237290.0,0.0002,BM13_C02
40,1034170.0,0.0002,BM13_S01
41,609105.0,0.0003,BM13_C01
42,1244270.0,0.0002,BM14_S02
43,1250030.0,0.0002,BM14_S01
44,1266010.0,0.0002,BM15_S02
45,1260140.0,0.0002,BM15_S01
46,691470.0,0.0003,BM16_C03
47,1230740.0,0.0002,BM16_S02
48,1367710.0,0.0002,BM16_C02
49,1220840.0,0.0002,BM16_S01
50,689160.0,0.0003,BM16_C01
51,570059.0,0.0003,BM17_C03
52,1141400.0,0.0002,BM17_S02
53,1138590.0,0.0002,BM17_C02
54,1142190.0,0.0002,BM17_S01
55,569062.0,0.0003,BM17_C01
56,530826.0,0.0003,BM18_C03
57,1020500.0,0.0002,BM18_S02
58,1049750.0,0.0002,BM18_C02
59,1048020.0,0.0002,BM18_S01
60,527756.0,0.0003,BM18_C01
2 changes: 2 additions & 0 deletions ...e/raw_data/_mcnp_-_ENDFB-VIII.0_/C-Model/C-Model NUCLEAR HEAT IN CENTRAL SOLENOID [W].csv
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Original file line number Diff line number Diff line change
@@ -0,0 +1,2 @@
Cells,Dir,Segments,Value,Error
101,0,1,0.922358,0.1816
2 changes: 2 additions & 0 deletions ...e/raw_data/_mcnp_-_ENDFB-VIII.0_/C-Model/C-Model NUCLEAR HEAT IN CORRECTION COILS [W].csv
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Original file line number Diff line number Diff line change
@@ -0,0 +1,2 @@
Cells,Dir,Segments,Value,Error
Input 1,0,1,5.43506,0.0686
2 changes: 2 additions & 0 deletions ...structure/raw_data/_mcnp_-_ENDFB-VIII.0_/C-Model/C-Model NUCLEAR HEAT IN CRYOSTAT [W].csv
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Cells,Dir,Segments,Value,Error
Input 1,0,1,41.099,0.0257
8 changes: 8 additions & 0 deletions ...structure/raw_data/_mcnp_-_ENDFB-VIII.0_/C-Model/C-Model NUCLEAR HEAT IN DIVERTOR [W].csv
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Original file line number Diff line number Diff line change
@@ -0,0 +1,8 @@
Cells,Value,Error,Cells n.
61,517652.0,0.0003,61
62,1041960.0,0.0002,62
63,1028480.0,0.0002,63
64,1026290.0,0.0002,64
65,1028530.0,0.0002,65
66,1028990.0,0.0002,66
67,512602.0,0.0003,67
8 changes: 8 additions & 0 deletions ...structure/raw_data/_mcnp_-_ENDFB-VIII.0_/C-Model/C-Model NUCLEAR HEAT IN PF COILS [W].csv
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Original file line number Diff line number Diff line change
@@ -0,0 +1,8 @@
Cells,Value,Error,Components
Input 1,3.94991,0.0804,PF1
Input 2,15.4017,0.0469,PF2
Input 3,6.5327,0.0778,PF3
Input 4,6.34424,0.0704,PF4
Input 5,7.23286,0.0659,PF5
Input 6,6.05651,0.0749,PF6
Input 7,1.50144,0.1367,PF3-4 SUPP
6 changes: 6 additions & 0 deletions ...ructure/raw_data/_mcnp_-_ENDFB-VIII.0_/C-Model/C-Model NUCLEAR HEAT IN PORT PLUGS [W].csv
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Original file line number Diff line number Diff line change
@@ -0,0 +1,6 @@
Cells,Value,Error,Components
Input 1,20809.4,0.0009,UP Port ENV
Input 2,709209.0,0.0003,UP PP+PI
Input 3,4865240.0,0.0001,EQ PP+PI
85,8376.41,0.002,LOW PP CEN
Input 5,26.7023,0.0272,LOW PP LAT
8 changes: 8 additions & 0 deletions ...structure/raw_data/_mcnp_-_ENDFB-VIII.0_/C-Model/C-Model NUCLEAR HEAT IN TF COILS [W].csv
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Original file line number Diff line number Diff line change
@@ -0,0 +1,8 @@
Cells,Value,Error,Components
Input 1,1202.87,0.0055,IB STR
Input 2,192.255,0.0138,IB TOP
Input 3,292.326,0.0108,OB TOP
Input 4,94.9353,0.0184,OB EQ
Input 5,126.756,0.0149,OB BOT
Input 6,91.6025,0.0182,IB BOT
Input 7,12.1669,0.0514,G SUPP
2 changes: 2 additions & 0 deletions ...re/raw_data/_mcnp_-_ENDFB-VIII.0_/C-Model/C-Model NUCLEAR HEAT IN THERMAL SHIELDS [W].csv
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Original file line number Diff line number Diff line change
@@ -0,0 +1,2 @@
Cells,Dir,Segments,Value,Error
Input 1,0,1,790.463,0.0038
22 changes: 22 additions & 0 deletions ...0_/C-Model/C-Model NUCLEAR HEAT IN VACUUM VESSEL, PORT EXTENSIONS, AND PORT DUCTS [W].csv
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Original file line number Diff line number Diff line change
@@ -0,0 +1,22 @@
Cells,Value,Error,Components
75,158046.0,0.0005,PS1
157,9792.74,0.0018,PS2 FJ Y+
158,9083.3,0.0018,PS2 FJ Y-
159,281854.0,0.0004,PS2 Y+
160,277880.0,0.0004,PS2 Y-
161,338297.0,0.0004,PS3 EQ Y+
162,335649.0,0.0004,PS3 EQ Y-
163,8184.33,0.0019,PS4 FJ Y+
164,8018.36,0.0019,PS4 FJ Y-
166,48277.4,0.0009,PS4 LOW Y+/-
167,78732.9,0.0007,PS4 UP Y+
168,75124.9,0.0007,PS4 UP Y-
68,203911.0,0.0004,TRIANG SUPPORT
116,3.33167,0.0763,HOOK
134,1.68089,0.1287,G SUPPORT
135,3.77926,0.0756,GUSSETS
125,20.9621,0.0341,SHIELD EVEN
126,7.49144,0.0517,SHIELD Y+
127,6.99199,0.051,SHIELD Y-
Input 20,1243.59,0.0051,UP Port ext and duct
Input 21,134.113,0.0151,EQ Port ext and duct
37 changes: 37 additions & 0 deletions ...ure/raw_data/_mcnp_-_ENDFB-VIII.0_/C-Model/C-Model Neutron current on plasma boundary.csv
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Original file line number Diff line number Diff line change
@@ -0,0 +1,37 @@
Segments,User,Value,Error,BLK n.
2,0.0,12535000000000.0,0.0002,1
2,1.0,3027350000000.0,0.0005,1
3,0.0,20090500000000.0,0.0002,2
3,1.0,3373550000000.0,0.0005,2
4,0.0,26244400000000.0,0.0002,3
4,1.0,3674930000000.0,0.0004,3
5,0.0,26034200000000.0,0.0002,4
5,1.0,3645040000000.0,0.0004,4
6,0.0,19664300000000.0,0.0002,5
6,1.0,3279650000000.0,0.0005,5
7,0.0,12223600000000.0,0.0002,6
7,1.0,2858530000000.0,0.0005,6
2,0.0,10640700000000.0,0.0003,7
2,1.0,2684210000000.0,0.0006,7
2,0.0,15085600000000.0,0.0002,8
2,1.0,3088030000000.0,0.0005,8
2,0.0,16865800000000.0,0.0002,9
2,1.0,3125320000000.0,0.0005,9
2,0.0,18754000000000.0,0.0001,10
2,1.0,3190680000000.0,0.0004,10
2,0.0,24153100000000.0,0.0001,11
2,1.0,3621000000000.0,0.0003,11
2,0.0,27712400000000.0,0.0001,12
2,1.0,3892980000000.0,0.0003,12
2,0.0,30419400000000.0,0.0001,13
2,1.0,4078070000000.0,0.0003,13
2,0.0,32414000000000.0,0.0001,14
2,1.0,3949810000000.0,0.0003,14
2,0.0,32955200000000.0,0.0001,15
2,1.0,4003460000000.0,0.0003,15
2,0.0,31481200000000.0,0.0001,16
2,1.0,4123530000000.0,0.0003,16
2,0.0,27905700000000.0,0.0001,17
2,1.0,3868620000000.0,0.0003,17
2,0.0,23123900000000.0,0.0001,18
2,1.0,3523660000000.0,0.0003,18
37 changes: 37 additions & 0 deletions ...ucture/raw_data/_mcnp_-_ENDFB-VIII.0_/C-Model/C-Model Neutron flux on plasma boundary.csv
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Original file line number Diff line number Diff line change
@@ -0,0 +1,37 @@
Segments,User,Value,Error,BLK n.
2,0.0,28869800000000.0,0.0007,1
2,1.0,6909490000000.0,0.0012,1
3,0.0,38887300000000.0,0.0005,2
3,1.0,7480620000000.0,0.0012,2
4,0.0,46272000000000.0,0.0005,3
4,1.0,8020700000000.0,0.001,3
5,0.0,46085800000000.0,0.0005,4
5,1.0,7936810000000.0,0.0011,4
6,0.0,38326600000000.0,0.0005,5
6,1.0,7216130000000.0,0.0011,5
7,0.0,28289600000000.0,0.0007,6
7,1.0,6408790000000.0,0.0011,6
2,0.0,22167400000000.0,0.0008,7
2,1.0,6049710000000.0,0.0018,7
2,0.0,21259600000000.0,0.0003,8
2,1.0,6466880000000.0,0.0013,8
2,0.0,22896900000000.0,0.0002,9
2,1.0,6846650000000.0,0.0015,9
2,0.0,27360700000000.0,0.0001,10
2,1.0,7309080000000.0,0.0009,10
2,0.0,33050100000000.0,0.0001,11
2,1.0,8571560000000.0,0.0009,11
2,0.0,37286700000000.0,0.0001,12
2,1.0,9413360000000.0,0.0009,12
2,0.0,40262300000000.0,0.0001,13
2,1.0,9886640000000.0,0.0009,13
2,0.0,43123400000000.0,0.0001,14
2,1.0,9506120000000.0,0.0008,14
2,0.0,43785600000000.0,0.0001,15
2,1.0,9649380000000.0,0.0008,15
2,0.0,41880600000000.0,0.0001,16
2,1.0,10100200000000.0,0.0009,16
2,0.0,38066300000000.0,0.0001,17
2,1.0,9467720000000.0,0.0009,17
2,0.0,32048300000000.0,0.0001,18
2,1.0,8430640000000.0,0.0008,18
9 changes: 9 additions & 0 deletions tests/dummy_structure/raw_data/_mcnp_-_ENDFB-VIII.0_/C-Model/metadata.json
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@@ -0,0 +1,9 @@
{
"benchmark_name": "C-Model",
"benchmark_version": "1.0",
"jade_run_version": "3.1.0",
"library": "FENDL 3.2c",
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⚠️ Potential issue | 🟡 Minor

Fix library metadata mismatch in ENDFB fixture.

Line 5 currently sets "library": "FENDL 3.2c" inside the .../_mcnp_-_ENDFB-VIII.0_/... fixture. This makes the test metadata inconsistent and misleading for metadata readers.

Proposed fix 
-    "library": "FENDL 3.2c",
+    "library": "ENDFB-VIII.0",
📝 Committable suggestion

‼️ IMPORTANT
Carefully review the code before committing. Ensure that it accurately replaces the highlighted code, contains no missing lines, and has no issues with indentation. Thoroughly test & benchmark the code to ensure it meets the requirements.

Suggested change
"library": "FENDL 3.2c",
"library": "ENDFB-VIII.0",
🤖 Prompt for AI Agents 
Verify each finding against the current code and only fix it if needed.

In `@tests/dummy_structure/raw_data/_mcnp_-_ENDFB-VIII.0_/C-Model/metadata.json`
at line 5, The metadata.json in the _mcnp_-_ENDFB-VIII.0_ fixture has a
mismatched "library" value ("FENDL 3.2c"); update the "library" field in that
metadata.json to the correct ENDF/B identifier (e.g., "ENDF/B-VIII.0" or the
project-standard string used elsewhere) so the fixture name and its "library"
key are consistent; ensure only the "library" value is changed and other
metadata keys remain untouched.

"code": "mcnp",
"jade_version": "3.1.0",
"code_version": "6.2"
}
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