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.. code-block:: python
#!/usr/bin/env python3
import os
import pymzml
def main():
"""
Testscript to highlight the function name changes in the Spectrum class.
Note:
Please adjust any old scripts to the new syntax.
usage:
./deprecation_check.py
"""
example_file = os.path.join(
os.path.dirname(__file__), os.pardir, "tests", "data", "example.mzML"
)
run = pymzml.run.Reader(example_file)
spectrum_list = []
for pos, spectrum in enumerate(run):
spectrum_list.append(spectrum)
spectrum.hasPeak((813.19073486))
spectrum.extremeValues("mz")
spectrum.hasOverlappingPeak(813.19073486)
spectrum.highestPeaks(1)
spectrum.estimatedNoiseLevel()
spectrum.removeNoise()
spectrum.transformMZ(813.19073486)
if pos == 1:
spectrum.similarityTo(spectrum_list[0])
break
if __name__ == "__main__":
main()
|
