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#!/usr/bin/python
import os
import sys
import MmpFile
import XyzFile
damianFiles = ("ala_l_aminoacid.mmp",
"arg_l_aminoacid.mmp",
"asn_l_aminoacid.mmp",
"asp_l_aminoacid.mmp",
"cys_l_aminoacid.mmp",
"gln_l_aminoacid.mmp",
"glu_l_aminoacid.mmp",
"gly_l_aminoacid.mmp",
"his_l_aminoacid.mmp",
"ile_l_aminoacid.mmp",
"leu_l_aminoacid.mmp",
"lys_l_aminoacid.mmp",
"met_l_aminoacid.mmp",
"phe_l_aminoacid.mmp",
"pro_l_aminoacid.mmp",
"ser_l_aminoacid.mmp",
"thr_l_aminoacid.mmp",
"tyr_l_aminoacid.mmp",
"val_l_aminoacid.mmp")
for df in damianFiles:
prefix = df[:df.index(".")]
testPrefix = "test_" + prefix
damianMmp = MmpFile.MmpFile()
damianMmp.read(df)
# Generate the xyzcmp file
xyzcmpFilename = testPrefix + ".xyzcmp"
outf = open(xyzcmpFilename, "w")
xyzcmp = damianMmp.convertToXyz()
xyzcmp.write(df, outf)
outf.close()
# Make a perturbed copy of the MMP, use it for test_{foo}.mmp
dmClone = damianMmp.clone()
dmClone.perturb()
testMmpFilename = testPrefix + ".mmp"
outf = open(testMmpFilename, "w")
dmClone.write(outf)
outf.close()
# Create test_{foo}.test
testTestFilename = testPrefix + ".test"
outf = open(testTestFilename, "w")
outf.write("TYPE struct\n")
outf.close()
print "Test input files generated for " + testPrefix
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