37 lines
985 B
Python
37 lines
985 B
Python
import argparse
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import sys
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from brukeropusreader import read_file
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def main(path_to_file):
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print(f"Reading opus file from path" f"{path_to_file}")
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opus_data = read_file(path_to_file)
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print(f"Data fields: " f"{list(opus_data.keys())}")
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ab_x = opus_data.get_range("AB")
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print(f"Absorption spectrum range: " f"{ab_x[0]} {ab_x[-1]}")
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print(f"Absorption elements num: " f'{len(opus_data["AB"])}')
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try:
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import matplotlib.pyplot as plt
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print("Plotting AB")
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plt.plot(opus_data.get_range("AB"), opus_data["AB"])
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plt.show()
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print("Plotting interpolated AB")
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plt.plot(*opus_data.interpolate(ab_x[0], ab_x[-1], 100))
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plt.show()
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except ImportError:
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print(f"Install matplotlib to plot spectra")
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if __name__ == "__main__":
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parser = argparse.ArgumentParser()
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parser.add_argument("opus_path", help="Path to opus file", action="store")
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args = parser.parse_args()
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main(sys.argv[1])
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