# Message in case of error
usage_mesg = 'driverML.py <mzML file>'
# Checks to make sure two and only two arguments were entered into the command line
if len(sys.argv) != 2:
print usage_mesg
sys.exit(1)
# Gets the filename from the second argument passed in and makes sure the file can be found
filename = sys.argv[1]
if not os.access(filename, os.R_OK):
print "%s is not accessible." % filename
print usage_mesg
sys.exit(1)
sys.stderr.write("Reading %s ... " % filename)
# Takes in the mzML file and processes all the data to extract a list with both the positive and
# negative mz values extracted. Then writes those to two .txt files.
neg_pos_mz_sets = process_mzs(filename, threshold=.2)
if neg_pos_mz_sets[0]:
writeTxt(neg_pos_mz_sets[0], filename, 0)
if neg_pos_mz_sets[1]:
writeTxt(neg_pos_mz_sets[1], filename, 1)
# Automatically opens the web browser with the calculator page open
# webbrowser.open('http://www.bmrb.wisc.edu/metabolomics/mass_query.php', new=1)
print('done')
# Message in case of error
usage_mesg = 'driverML.py <mzML file>'
# Checks to make sure two and only two arguments were entered into the command line
if len(sys.argv) != 2:
print usage_mesg
sys.exit(1)
# Gets the filename from the second argument passed in and makes sure the file can be found
filename = sys.argv[1]
if not os.access(filename, os.R_OK):
print "%s is not accessible." % filename
print usage_mesg
sys.exit(1)
sys.stderr.write("Reading %s ... " % filename)
# Takes in the mzML file and processes all the data to extract a list with both the positive and
# negative mz values extracted. Then writes those to two .txt files.
neg_pos_mz_sets = process_mzs(filename)
if neg_pos_mz_sets[0]:
writeTxt(neg_pos_mz_sets[0], filename, 0)
if neg_pos_mz_sets[1]:
writeTxt(neg_pos_mz_sets[1], filename, 1)
# Automatically opens the web browser with the calculator page open
webbrowser.open('http://www.bmrb.wisc.edu/metabolomics/mass_query.php', new=1)
print('done')
