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#!/usr/bin/env python3.2
"""
Testscript to isolate the n-highest peaks from an example file.
Example:
>>> example_file = get_example_file.open_example('deconvolution.mzML.gz')
>>> run = pymzml.run.Reader(example_file, MS1_Precision = 5e-6, MSn_Precision = 20e-6)
>>> for spectrum in run:
... if spectrum["ms level"] == 2:
... if spectrum["id"] == 1770:
... for mz,i in spectrum.highestPeaks(5):
... print(mz,i)
"""
import sys
import pymzml
import get_example_file
def main(verbose = False):
ref_intensities = set([9258.819334518503, 19141.735187697403, 20922.463809964283, 10594.642802391083, 9193.546071711491])
example_file = get_example_file.open_example('deconvolution.mzML.gz')
run = pymzml.run.Reader(example_file, MS1_Precision = 5e-6, MSn_Precision = 20e-6)
highest_i_list = list()
for spectrum in run:
if spectrum["ms level"] == 2:
if spectrum["id"] == 1770:
for mz,i in spectrum.highestPeaks(5):
highest_i_list.append(i)
if set(highest_i_list) == set(ref_intensities):
if verbose:
print("Function .highestPeaks worked properly")
return True
else:
return False
if __name__ == '__main__':
main(verbose = True)
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