Merge branch 'develop'

.gitignore

@@ -93,13 +93,9 @@ ENV/
 
 # Backup garbage
 *.ini
-*.bak
 
 # SCALE stuff
 applet_resources/
-*.ps
-*.msg
-*.tempdir.path
 
 # Scheduler
 *.pbs

LICENSE

@@ -1,6 +1,6 @@
 MIT License
 
-Copyright (c) 2017 Drew Johnson
+Copyright (c) 2017 Andrew Johnson
 
 Permission is hereby granted, free of charge, to any person obtaining a copy
 of this software and associated documentation files (the "Software"), to deal

README.md

@@ -13,15 +13,17 @@ A. Johnson
 
 **Objective**: Iteratively update a parameter in a template NEWT file in
 order to obtain a critical system.
-
-[1]: M. D. DeHart, and S. Bowman, "Reactor Physics Methods and Analysis Capabilities in SCALE," Nuclear Technology, Technical Paper
-vol. 174, no.2, pp. 196-213, 2011.
-
-ASCII Art generated from [http://patorjk.com/software/taag](http://patorjk.com/software/taag/#p=display&f=Slant&t=CritOpS-NEWT)
+## Setup
+```
+git clone https://github.com/drewejohnson/CritOpS.git
+cd CritOpS
+python setup.py install
+```
+The code currently requires `python3` due to some formatting calls, and `pandas` for some better data output.
 
 ## Input Syntax
 ```
-python3 CritOpS.py [-h] [-v] [-o OUTPUT] inp_file param_file
+python3 CritOpS.py inp_file param_file [-v] [-o OUTPUT]
 
 positional arguments:
   inp_file              template SCALE input file
@@ -33,4 +35,65 @@ optional arguments:
   -o OUTPUT, --output OUTPUT
                         write status to output file
 ```
+The parameter file controls iteration procedure and `SCALE` execution.
+Parameters that can be updated with the parameter file include
+1. `k_target`: Desired value of k-eff to be obtained from the `SCALE` runs
+1. `eps_k`: Acceptable accuracy between `k_target` and each value of k-eff
+1. `iter_lim`: Maximum number of times to run `SCALE`
+1. `exe_str`: Absolute path to your `SCALE` executable. 
+1. `var_char`: Whatever character you want to use as a designator for the variables
+
+Currently, `CritOpS` only supports one iteration variable, which is declared in the parameter file with 
+```
+iter_var <var> <start> <min> <max>
+```
+
+The input file should be a valid `NEWT` input file, with some minor modifications.
+There should exist certain values defined as variables preceeded by the `var_char`,
+```
+cuboid 20 5   0  0 -$del_z
+```
+
+Given some input and parameter files, the code will create and execute successive input files, 
+parse the outputs for the update k-eff, and then update the iteration variables.
+
+## Caveats/Future Work
+This code was designed to optimize the thickness of a reflector, and assumes that each parameter
+has a positive effect on criticality.
+Increasing the value of an iteration variable is assumed to increase the criticality.
+Technically this code could work on any `SCALE` input file, and so long as the output file contains the k-eff string, the iteration procedure should work.
+This was not the intent, nor has this been tested.
+
+Future work will include 
+1. The ability to specify positive/negative feedbacks
+1. The ability to specify and iterate upon multiple variables
+1. The ability to define some variables as functions of iteration variables
+
+## License
+MIT License
+
+Copyright (c) 2017 Andrew Johnson
+
+Permission is hereby granted, free of charge, to any person obtaining a copy
+of this software and associated documentation files (the "Software"), to deal
+in the Software without restriction, including without limitation the rights
+to use, copy, modify, merge, publish, distribute, sublicense, and/or sell
+copies of the Software, and to permit persons to whom the Software is
+furnished to do so, subject to the following conditions:
+
+The above copyright notice and this permission notice shall be included in all
+copies or substantial portions of the Software.
+
+THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR
+IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY,
+FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE
+AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER
+LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM,
+OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THE
+SOFTWARE.
+
+## References
+[1]: M. D. DeHart, and S. Bowman, "Reactor Physics Methods and Analysis Capabilities in SCALE," Nuclear Technology, Technical Paper
+vol. 174, no.2, pp. 196-213, 2011. http://dx.doi.org/10.13182/NT174-196
 
+ASCII Art generated from [http://patorjk.com/software/taag](http://patorjk.com/software/taag/#p=display&f=Slant&t=CritOpS-NEWT)

critops/__init__.py

@@ -0,0 +1,5 @@
+from critops.constants import *
+from critops.iterator import *
+from critops.outputs import *
+from critops.readinputs import *
+from critops.utils import *

critops/__main__.py

@@ -0,0 +1,72 @@
+"""
+   ______     _ __  ____       _____      _   _________       ________
+  / ____/____(_) /_/ __ \____ / ___/     / | / / ____/ |     / /_  __/
+ / /   / ___/ / __/ / / / __ \\__ \_____/  |/ / __/  | | /| / / / /
+/ /___/ /  / / /_/ /_/ / /_/ /__/ /____/ /|  / /___  | |/ |/ / / /
+\____/_/  /_/\__/\____/ .___/____/    /_/ |_/_____/  |__/|__/ /_/
+                     /_/
+
+
+                        CritOpS
+A Critical Optimization Search tool for NEWT[1]
+Andrew Johnson
+
+Objective: Iteratively update a parameter in a template NEWT file in
+order to obtain a critical system.
+
+[1]: M. D. DeHart, and S. Bowman, "Reactor Physics Methods and Analysis
+    Capabilities in SCALE," Nuclear Technology, Technical Paper
+    vol. 174, no.2, pp. 196-213, 2011.
+"""
+
+import argparse
+import os
+import sys
+
+from critops import utils
+from critops.constants import header, default_params
+from critops.iterator import itermain
+from critops.outputs import output_landing
+from critops.readinputs import readmain
+
+# Input parameters
+parser = argparse.ArgumentParser(description=header, formatter_class=argparse.RawDescriptionHelpFormatter,
+                                 usage='critops inp_file param_file [-v] [-o OUTPUT]')
+parser.add_argument('inp_file', type=str, help='template SCALE input file')
+parser.add_argument('param_file', type=str, help='file containing parameters for operation')
+parser.add_argument('-v', '--verbose', help='reveal more of the mystery behind the operation', action='store_true')
+parser.add_argument('-o', '--output', help="write status to output file", type=str)
+
+if __name__ == '__main__':
+
+    if int(sys.version_info[0]) < 3:
+        raise SystemError('Need python 3 >')
+
+    kwargs = {}
+    for key in default_params:
+        kwargs[key] = default_params[key]
+
+    args = vars(parser.parse_args())
+    kwargs['verbose'] = args.pop('verbose')
+    kwargs['output'] = args.pop('output')
+
+    if kwargs['output'] is None:
+        print(header)
+    else:
+        with open(kwargs['output'], 'w') as outobj:
+            outobj.write(header)
+
+    # Update files to be absolute references
+    for file in ('inp_file', 'param_file'):
+        args[file] = os.path.join(os.getcwd(), args[file])
+        if not os.path.exists(args[file]):
+            utils.error('File {} does not exist'.format(args[file]), 'CritOps __main__', args)
+
+    # Read the input files
+    template, iter_vars = readmain(args['inp_file'], args['param_file'], kwargs)
+
+    # Start the iteration
+    iter_vecs, k_vec, conv_type = itermain(template, args['inp_file'], iter_vars, kwargs)
+
+    # Output
+    output_landing(iter_vecs, k_vec, conv_type, **kwargs)

critops/constants.py

@@ -0,0 +1,43 @@
+"""
+
+NRE6401 - Molten Salt Reactor
+
+CritOpS
+
+constants
+
+Objective: Header file for some useful constants
+
+"""
+lineBreakShort = '-' * 10 + '\n'
+lineBreakLong = "*" * 70 + '\n'
+
+default_params = {
+    'eps_k': 1E-4, 'k_target': 1.0, 'iter_lim': 50,
+    'inf': 1E30, 'tiny': 1E-16, 'var_char': '$', 'exe_str': 'C:\\SCALE-6.2.1\\bin\\scalerte.exe'
+}
+
+pName = "CritOpS-NEWT  v2.0.0dev5"
+asciiHeader = r"""
+   ______     _ __  ____       _____      _   _________       ________
+  / ____/____(_) /_/ __ \____ / ___/     / | / / ____/ |     / /_  __/
+ / /   / ___/ / __/ / / / __ \\__ \_____/  |/ / __/  | | /| / / / /
+/ /___/ /  / / /_/ /_/ / /_/ /__/ /____/ /|  / /___  | |/ |/ / / /
+\____/_/  /_/\__/\____/ .___/____/    /_/ |_/_____/  |__/|__/ /_/
+                     /_/
+"""  # http://patorjk.com/software/taag/#p=display&f=Slant&t=CritOpS-NEWT
+
+header = lineBreakLong + asciiHeader + pName.center(len(lineBreakLong)) + """
+A Critical Optimization Search tool for NEWT[1]
+A. Johnson
+
+Objective: Iteratively update a parameter in a template NEWT file in
+order to obtain a critical system.
+
+[1]: M. D. DeHart, and S. Bowman, "Reactor Physics Methods and Analysis
+\tCapabilities in SCALE," Nuclear Technology, Technical Paper
+\tvol. 174, no.2, pp. 196-213, 2011.
+
+""" + lineBreakLong
+
+supVarChars = ('$',)