Synthetic instance generator for Materials Discovery
Modified 11/06/2014
Version 1.1

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Copyright 2014 Institute for Computational Sustainability

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
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The above copyright notice and this permission notice shall be included in
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FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE
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THE SOFTWARE.
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== MAIN CONTRIBUTORS ==  

Ronan Le Bras (Cornell University Dept. of Computer Science) lebras@cs.cornell.edu
Richard Bernstein (Cornell University Dept. of Computer Science) rab38@cornell.edu
John M. Gregoire (Caltech JCAP Energy Innovation Hub) gregoire@caltech.edu


== CITATION ==

This work accompanies the following publication:

Le Bras, R., Bernstein, R., Gregoire, J. M., Suram, S. K., Gomes, C. P., Selman, B., & van Dover, R. B. (2014). 
    A Computational Challenge Problem in Materials Discovery: Synthetic Problem Generator and Real-World Datasets. 
    In Twenty-Eighth International Conference on Artificial Intelligence (AAAI'14).
    
Please cite this or related works as appropriate in follow-up publications.


== USAGE ==

usage: SyntheticGenerator.py [-h] -o PATH -b BASENAME -n N [-r R] [-t TYPE] [-p P] [-s S]

  -h, --help   Help message
  -o PATH      Output path for instance files
  -b BASENAME  Base filename for instance files
  -n N         Set the number of composition points for each element (n>=2)
  -r R         Set the number of peaks to remove randomly (default=0)
  -t TYPE      Model type: allife (default) or abc
  -p P         Model peak proportion: integer percentage of total model peaks
               to include (default 100 means 'all', 0 means '1 per phase')
  -s S         PRNG seed to use for randomized components (0 means use default
               source)
  -i INTENSITY Height intensity scale (default=1.)
  
== EXAMPLE ==

    python SyntheticGenerator.py -o ./instances -t allife -b AlLiFeExample -n 5 -r 1 -p 50

This will generate an instance based on the AlLiFe model, with 5 composition values for each 
element (increments of 0.25). It will include just over half of the total peaks, with one 
of the harder-to-detect peaks removed at random.  The output filename will start with "AlLiFeExample" 
and will have the specified options appended to the name.