Commit 813e64b3 authored by mirandaa's avatar mirandaa
Browse files

fixed Issues

parent 515d72a6
......@@ -148,20 +148,28 @@ def main():
lines6x =[]
for idx,_ in enumerate(frags_txt):
lines6x.append(f"\tfr{idx} = fr{idx}.intensity;")
lineLast =';'
lines6x.append(f"\tfr{idx}ppm = fr{idx}.errppm;")
nl='\n'
allLines = (
f'{line1}\n'
f'{line2}\n'
f'{line3}\n'
f'{nl.join(lines3x)}'
f'{line4}\n'
f'{nl.join(lines4x)}'
f'{line5}\n'
f'{line6}\n'
f'{nl.join(lines6x)}'
f';\n'
)
print(allLines)
filename = os.path.join(args.mfql_dir, args.compound + '.mfql')
print(f'Writing results to {filename}')
with open(filename, 'w') as f:
f.write(line1 + '\n')
f.write(line2 + '\n')
f.write(line3 + '\n')
f.write('\n'.join(lines3x))
f.write(line4 + '\n')
f.write('\n'.join(lines4x))
f.write(line5 + '\n')
f.write(line6 + '\n')
f.write('\n'.join(lines6x))
f.write(lineLast + '\n')
f.write(allLines)
if __name__ == "__main__":
main()
......
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