Merge pull request #98 from yardasol/generalize-simulation

Prepare `Simulation` and `App` classes for OpenMC support, rework input file structure

doc/installation.rst

@@ -10,6 +10,7 @@ SaltProc has the following dependencies:
   #. `PyTables`_
   #. `NetworkX`_
   #. `PyDotPlus`_
+  #. `jsonschema`_
 
 .. _Serpent: http://montecarlo.vtt.fi
 .. _PyNE: http://pyne.io
@@ -24,6 +25,7 @@ SaltProc has the following dependencies:
 .. _matplotlib: http://matplotlib.org
 .. _ViTables: http://vitables.org
 .. _GitHub: http://github.com/arfc/saltproc
+.. _jsonschema: https://github.com/Julian/jsonschema
 .. _conda package manager: https://docs.conda.io/en/latest/
 .. _mamba: https://github.com/mamba-org/mamba
 

environment.yml

@@ -9,5 +9,6 @@ dependencies:
   - networkx
   - pydotplus
   - pytest
+  - jsonschema
   - pip:
     - argparse==1.4.0

examples/msbr/msbr.serpent

@@ -51,9 +51,9 @@ therm gr 900 gre7.18t gre7.20t  % 900K C-nat
 set title "MSBR Saltproc long-term, 91% removal, BOL, fresh fuel, ENDF"
 
 
-set acelib "/home/andrei2/serpent/xsdata/endfb7/sss_endfb7.xsdata"
-set declib "/home/andrei2/serpent/xsdata/endfb7/sss_endfb7.dec"
-set nfylib "/home/andrei2/serpent/xsdata/endfb7/sss_endfb7.nfy"
+set acelib "sss_endfb7.xsdata"
+set declib "sss_endfb7.dec"
+set nfylib "sss_endfb7.nfy"
 
 %set acelib "sss_jeff312.xsdata"
 %set declib "sss_jeff33.dec"

examples/msbr/msbr_main.json

@@ -1,18 +1,29 @@
 {
-  "Path to Serpent executable": "sss2",
-  "File containing processing system objects": "msbr_objects.json",
-  "Graph file containing processing system structure": "msbr.dot",
-  "User's Serpent input file with reactor model": "msbr.serpent",
-  "Path output data storing folder": "../../saltproc/data/",
-  "Output HDF5 database file name": "msbr_kl_100_saltproc.h5",
-  "Number of neutrons per generation": 50,
-  "Number of active generations": 20,
-  "Number of inactive generations": 20,
-  "Restart simulation from the step when it stopped?": false,
-  "Geometry file/files to use in Serpent runs": "geometry/msbr_full.ini",
-  "Switch to another geometry when keff drops below 1?": false,
-  "Salt mass flow rate throughout reactor core (g/s)": 9920000,
-  "Number of steps for constant power and depletion interval case": 12,
-  "Depletion step interval or Cumulative time (end of step) (d)": 3,
-  "Reactor power or power step list during depletion step (W)": 2250000000
+   "proc_input_file": "msbr_objects.json",
+   "dot_input_file": "msbr.dot",
+   "output_path": "./data",
+   "num_depsteps": 12,
+   "depcode": {
+       "codename": "serpent",
+       "exec_path": "sss2",
+       "template_inputfile_path": "./msbr.serpent",
+       "iter_inputfile": "saltproc_serpent",
+       "iter_matfile": "saltproc_mat",
+       "npop": 50,
+       "active_cycles": 20,
+       "inactive_cycles": 20,
+       "geo_file_paths": ["./geometry/msbr_full.ini"]
+   },
+   "simulation": {
+       "sim_name": "msbr_example_simulation",
+       "db_name": "msbr_kl_100_saltproc.h5",
+       "restart_flag": false,
+       "adjust_geo": false
+   },
+   "reactor": {
+       "volume": 1.0,
+       "mass_flowrate": 9920000,
+       "power_levels": [ 2250000000 ],
+       "dep_step_length_cumulative": [ 3 ]
+   }
 }

examples/tap/tap.serpent

@@ -19,9 +19,9 @@ include "mats/non_burnable_mats.ini"
 set title "TAP MSR test 5-d step"
 
 %therm zrh_h 900 hzr05.32t hzr06.32t   % 900K H-Zr
-%set acelib "/home/andrei2/serpent/xsdata/endfb7/sss_endfb7.xsdata"
-%set declib "/home/andrei2/serpent/xsdata/endfb7/sss_endfb7.dec"
-%set nfylib "/home/andrei2/serpent/xsdata/endfb7/sss_endfb7.nfy"
+%set acelib "sss_endfb7.xsdata"
+%set declib "sss_endfb7.dec"
+%set nfylib "sss_endfb7.nfy"
 
 set acelib "sss_jeff312.xsdata"
 set declib "sss_jeff33.dec"

examples/tap/tap_main.json

@@ -1,34 +1,45 @@
 {
-  "Path to Serpent executable": "sss2",
-  "File containing processing system objects": "tap_objects.json",
-  "Graph file containing processing system structure": "tap.dot",
-  "User's Serpent input file with reactor model": "tap.serpent",
-  "Path output data storing folder": "../../saltproc/data/",
-  "Output HDF5 database file name": "db_saltproc.h5",
-  "Number of neutrons per generation": 50,
-  "Number of active generations": 20,
-  "Number of inactive generations": 20,
-  "Restart simulation from the step when it stopped?": false,
-  "Geometry file/files to use in Serpent runs": [
-    "geometry/347_base.ini",
-    "geometry/406.ini",
-    "geometry/427.ini",
-    "geometry/505.ini",
-    "geometry/576.ini",
-    "geometry/633.ini",
-    "geometry/681.ini",
-    "geometry/840.ini",
-    "geometry/880.ini",
-    "geometry/900.ini",
-    "geometry/988.ini",
-    "geometry/1126.ini",
-    "geometry/1338.ini",
-    "geometry/1498.ini",
-    "geometry/1668_all.ini"
-  ],
-  "Switch to another geometry when keff drops below 1?": true,
-  "Salt mass flow rate throughout reactor core (g/s)": 9920000,
-  "Number of steps for constant power and depletion interval case": 3,
-  "Depletion step interval or Cumulative time (end of step) (d)": 2,
-  "Reactor power or power step list during depletion step (W)": 1250000000
+   "proc_input_file": "tap_objects.json",
+   "dot_input_file": "tap.dot",
+   "output_path": "./data",
+   "num_depsteps": 3,
+   "depcode": {
+       "codename": "serpent",
+       "exec_path": "sss2",
+       "template_inputfile_path": "./tap.serpent",
+       "iter_inputfile": "saltproc_serpent",
+       "iter_matfile": "saltproc_mat",
+       "npop": 50,
+       "active_cycles": 20,
+       "inactive_cycles": 20,
+       "geo_file_paths": [
+           "./geometry/347_base.ini",
+           "./geometry/406.ini",
+           "./geometry/427.ini",
+           "./geometry/505.ini",
+           "./geometry/576.ini",
+           "./geometry/633.ini",
+           "./geometry/681.ini",
+           "./geometry/840.ini",
+           "./geometry/880.ini",
+           "./geometry/900.ini",
+           "./geometry/988.ini",
+           "./geometry/1126.ini",
+           "./geometry/1338.ini",
+           "./geometry/1498.ini",
+           "./geometry/1668_all.ini"
+       ]
+   },
+   "simulation": {
+       "sim_name": "test_simulation",
+       "db_name": "db_saltproc.h5",
+       "restart_flag": false,
+       "adjust_geo": true
+   },
+   "reactor": {
+       "volume": 1.0,
+       "mass_flowrate": 9920000,
+       "power_levels": [ 1250000000 ],
+       "dep_step_length_cumulative": [ 2 ]
+   }
 }

examples/tap/tap_plot.serpent

@@ -19,9 +19,9 @@ include "geometry/347_base.ini"
 set title "TAP MSR test 5-d step"
 
 %therm zrh_h 900 hzr05.32t hzr06.32t   % 900K H-Zr
-%set acelib "/home/andrei2/serpent/xsdata/endfb7/sss_endfb7.xsdata"
-%set declib "/home/andrei2/serpent/xsdata/endfb7/sss_endfb7.dec"
-%set nfylib "/home/andrei2/serpent/xsdata/endfb7/sss_endfb7.nfy"
+%set acelib "sss_endfb7.xsdata"
+%set declib "sss_endfb7.dec"
+%set nfylib "sss_endfb7.nfy"
 
 set acelib "sss_jeff312.xsdata"
 set declib "sss_jeff33.dec"

requirements.txt

@@ -2,6 +2,7 @@ pyne
 numpy
 scipy
 json
+jsonschema
 pytables
 networkx
 pydotplus