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#!/usr/bin/python
import cgi, os, tempfile
import cgitb; cgitb.enable()
form = cgi.FieldStorage()
"""
contentTypes were made from the package chemical-mime-data with some additions
"""
contentTypes={
'alc':'chemical/x-alchemy',
'arc':'chemical/x-msi-car',
'c3d':'chemical/x-chem3d',
'cac':'chemical/x-cache',
'cache':'chemical/x-cache',
'car':'chemical/x-msi-car',
'cdx':'chemical/x-cdx',
'cif':'chemical/x-cif',
'cml':'chemical/x-cml',
'cor':'chemical/x-msi-car',
'dat':'chemical/x-mopac-input',
'dx':'chemical/x-jcamp-dx',
'gal':'chemical/x-gaussian-log',
'gam':'chemical/x-gamess-input',
'gamin':'chemical/x-gamess-input',
'gau':'chemical/x-gaussian-input',
'gjc':'chemical/x-gaussian-input',
'gjf':'chemical/x-gaussian-input',
'gpr':'chemical/x-gpr',
'gpt':'chemical/x-mopac-graph',
'hessian':'chemical/x-msi-hessian',
'hin':'chemical/x-hin',
'inchi':'chemical/x-inchi',
'inchix':'chemical/x-inchi-xml',
'inp':'chemical/x-gamess-input',
'jdx':'chemical/x-jcamp-dx',
'mcif':'chemical/x-mmcif',
'mdf':'chemical/x-msi-mdf',
'mdl':'chemical/x-mdl-molfile',
'mmd':'chemical/x-macromodel-input',
'mmod':'chemical/x-macromodel-input',
'mol':'chemical/x-mdl-molfile',
'mol2':'chemical/x-mol2',
'moo':'chemical/x-mopac-out',
'mop':'chemical/x-mopac-input',
'mopcrt':'chemical/x-mopac-input',
'mpc':'chemical/x-mopac-input',
'msi':'chemical/x-msi-msi',
'out':'chemical/x-mopac-out',
'outmol':'chemical/x-dmol',
'pdb':'chemical/x-pdb',
'rd':'chemical/x-mdl-rdfile',
'res':'chemical/x-shelx',
'rxn':'chemical/x-mdl-rxnfile',
'sd':'chemical/x-mdl-sdfile',
'sdf':'chemical/x-mdl-sdfile',
'tgf':'chemical/x-mdl-tgf',
'vmd':'chemical/x-vmd',
'xyz':'chemical/x-xyz',
'zmt':'chemical/x-mopac-input'}
def output(mol, ext, debug=False):
if contentTypes.has_key(ext):
ct=contentTypes[ext]
else:
ct='chemical/unknown'
if debug:
print "Content-type: text/html\n\n"
else:
print "Content-type: %s\nContent-Disposition: inline; filename=\"%s\"\n\n" %(ct,mol+'.'+ext)
handle,outfile=tempfile.mkstemp('.'+ext)
if os.path.exists(mol+".cml.gz"):
handle1,outfile1=tempfile.mkstemp('.cml')
os.system("zcat %s.cml.gz > %s" %(mol,outfile1))
os.system("babel -icml %s -o%s %s" %(outfile1,ext,outfile))
os.remove(outfile1)
else:
os.system("babel -icml %s.cml -o%s %s" %(mol,ext,outfile))
print ''.join(open(outfile).readlines())
os.remove(outfile)
if __name__ == "__main__":
output(form["mol"].value, form["ext"].value)
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