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