Metadata fingerprinting in output file, WIP CLI support for homogenization

1 files changed, 36 insertions, 7 deletions

diff --git a/hpmr.py b/hpmr.py
index 5d07188..4d1e2f8 100755
--- a/hpmr.py
+++ b/hpmr.py
@@ -1,6 +1,36 @@
 #!/bin/python3
 import openmc
 import math
+import argparse as ap
+import hashlib as hl
+import sys
+import time
+
+def id_file():
+    path = sys.argv[0]
+
+    with open(path, "rb") as file:
+        contents = file.read()
+
+    filehash = hl.md5(contents).hexdigest()
+
+    print("="*60)
+    print(f"Run date:       {time.ctime()}")
+    print(f"Input file MD5: {filehash}")
+    print("="*60)
+
+
+############ COMMAND LINE ARGUMENTS ############ 
+id_file()
+
+cli_parser = ap.ArgumentParser(
+        prog="HP-RM TRISO Homogenization Study",
+        description="Program to investigate various homogenization techniques for TRISO compacts in the HP-MR benchmark."
+        )
+
+cli_parser.add_argument("-t","--technique",default="none",choices=["none","vwh","rpt","rrpt"],help="What homogenization technique to use (if any) [none/vwh/rpt/rrpt], default none")
+cli_parser.add_argument("-r","--radius",default="0.5",type=float,help="Radius for RPT or RRPT homogenization [cm], default 0.5 cm. In the case of RRPT, this is the inner radius.")
+cli_args = cli_parser.parse_args()
 
 ############ MATERIALS ############ 
 # All materials are specified in the report on HEAT PIPE MICROREACTOR MODELING WITH BLUECRAB
@@ -116,8 +146,6 @@ mat_pipe_k_gas.add_element("K",1.0)
 mat_pipe_k_gas.set_density("g/cc",1.11e-4)
 mat_list.append(mat_pipe_k_gas)
 
-
-
 ############ GEOMETRY ############ 
 # All measurements are in cm unless specified
 geo_constant_pin_pitch = 2.3
@@ -172,7 +200,6 @@ geo_triso_compact_universe = openmc.Universe(name="TRISO Compact Universe",cells
 ## VWH TRISO Compact ##
 geo_vwh_fracs = []
 geo_n_triso = len(geo_triso_compact_packing)
-print(f'{geo_n_triso = }')
 
 # Get volume fractions for mixing
 geo_triso_compact_v_tot = math.pi*geo_constant_triso_radius**2*2*geo_constant_height
@@ -202,7 +229,7 @@ for mat in mat_list:
         mat_tsl_saved[mat]=list(mat._sab)
         mat._sab=[]
 
-# Now do a simple volume homogenization
+# Simple VWH
 mat_triso_vwh = openmc.Material.mix_materials(
         materials=[mat_triso_uco, mat_triso_buffer, mat_triso_pyc1, mat_triso_sic, mat_triso_pyc2, mat_graphite_matrix],
         fracs=geo_vwh_fracs,
@@ -210,6 +237,8 @@ mat_triso_vwh = openmc.Material.mix_materials(
         name="VWH Homogenized TRISO Compact"
         )
 
+# RPT Homogenization
+
 # Restore TSL afterwards
 for mat, tsl_list in mat_tsl_saved.items():
     mat._sab = tsl_list
@@ -218,6 +247,7 @@ mat_triso_vwh.add_s_alpha_beta("c_Graphite")
 
 # Add to list
 mat_list.append(mat_triso_vwh)
+materials = openmc.Materials(mat_list)
 
 # Cast into cells and a universe
 geo_triso_vwh_fuel_cell = openmc.Cell(name="TRISO VWH Cell",fill=mat_triso_vwh,region=geo_triso_compact_region)
@@ -281,7 +311,6 @@ geo_assembly_cell = openmc.Cell(name="Unit Assembly Cell",fill=geo_assembly_latt
 geo_assembly_universe = openmc.Universe(cells=[geo_assembly_cell])
 
 geometry = openmc.Geometry(geo_assembly_universe)
-geometry.export_to_xml()
 
 ############ SETTINGS ############ 
 settings = openmc.Settings()
@@ -304,11 +333,11 @@ set_entropy_mesh.upper_right=(+geo_constant_lattice_pitch,+geo_constant_lattice_
 set_entropy_mesh.dimension=(30,30,30)
 
 settings.entropy_mesh=set_entropy_mesh
-settings.export_to_xml()
 
 ## Export ##
-materials = openmc.Materials(mat_list)
 materials.export_to_xml()
+geometry.export_to_xml()
+settings.export_to_xml()
 
 # Run!
 openmc.run()