// This example uses the DMSP method of Fisher et al to predict
//  which structural prototype is most likely for a compound
//  based on its composition.
//  See the Magpie Javadoc for DMSPEngine or 
//   http://www.nature.com/nmat/journal/v5/n8/full/nmat1691.html

// Create the CSP engine
csp = new csp.DMSPEngine

// Load in known compounds and their prototype structure
csp prototypes ./datasets/prototypes.list

// List top 20 most likely structures for Na5Pb2 (should be Li5Tl2-166)
csp predict Na5Pb2 20

// List 10 most likely structures for Al2NiCu (not sure what the answer is)
csp predict Al2NiCu

// Run test of predictive ability of DMSP for binary compounds
csp validate 2 20
print csp stats list-length

exit