import argparse
from khipu import __version__
from .extended import *
[docs]def main():
'''
khipu, annotating metabolomics features to empCpds
'''
print("\n\n~~~~~~~ Hello from Khipu (%s) ~~~~~~~~~\n" %__version__)
parser = argparse.ArgumentParser(description='khipu, annotating metabolomics features to empCpds')
parser.add_argument('-v', '--version', action='version', version=__version__,
help='print version and exit')
parser.add_argument('-m', '--mode', default='pos',
help='mode of ionization, pos or neg')
parser.add_argument('--ppm', default=5, type=int,
help='mass precision in ppm (part per million), same as mz_tolerance_ppm')
parser.add_argument('--rtol', default=2, type=float,
help='tolerance of retention time match, arbitrary unit dependent on preprocessing tool')
parser.add_argument('-i', '--input',
help='input file as feature table')
parser.add_argument('-s', '--start', default=3, type=int,
help='start column for intensity in input table')
parser.add_argument('-e', '--end', default=6, type=int,
help='end column for intensity in input table')
parser.add_argument('-o', '--output',
help='prefix of output files')
args = parser.parse_args()
khipu_annotate(args)
#
# -----------------------------------------------------------------------------
#
if __name__ == '__main__':
main()