return z_sn, z_r
if __name__ == "__main__":
import matplotlib as mpl
mpl.use("Agg")
import matplotlib.pyplot as plt
with open('frequencies.pypickle', 'rb') as picklefile:
frequencies_CO2_d = pickle.load(picklefile)
with open('snapnums_frequencies.pypickle', 'rb') as picklefile:
snapnums_frequencies_d = pickle.load(picklefile)
frequencies_CO2_d = mangle_dict_keys(frequencies_CO2_d)
snapnums_frequencies_d = mangle_dict_keys(snapnums_frequencies_d)
assert frequencies_CO2_d.keys() == snapnums_frequencies_d.keys()
for n_qm in frequencies_CO2_d:
assert frequencies_CO2_d[n_qm].keys() == snapnums_frequencies_d[n_qm].keys()
# For dictionary access:
# n_qm, then n_mm
snapnums = read_snapshot_file("/home/eric/Chemistry/calc.sgr/droplets/inputs_freq/representative_snapshots_3qm")
z3_sn, z3_f = sort(3, 0, snapnums_frequencies_d, frequencies_CO2_d, snapnums)
z2_sn, z2_f = sort(2, 0, snapnums_frequencies_d, frequencies_CO2_d, snapnums)
z1_sn, z1_f = sort(1, 0, snapnums_frequencies_d, frequencies_CO2_d, snapnums)
z0_sn, z0_f = sort(0, 0, snapnums_frequencies_d, frequencies_CO2_d, snapnums)
# Until I come up with a better idea, here's where I mangle some
# of the keys (253, 254, 255, 256) into 256.
# Make a copy beforehand...
frequencies_CO2_d_unmangled = deepcopy(frequencies_CO2_d)
intensities_CO2_d_unmangled = deepcopy(intensities_CO2_d)
frequencies_noCT_CO2_d_unmangled = deepcopy(frequencies_noCT_CO2_d)
intensities_noCT_CO2_d_unmangled = deepcopy(intensities_noCT_CO2_d)
dipoles_d_unmangled = deepcopy(dipoles_d)
snapnums_frequencies_d_unmangled = deepcopy(snapnums_frequencies_d)
snapnums_frequencies_noCT_d_unmangled = deepcopy(snapnums_frequencies_noCT_d)
snapnums_dipoles_d_unmangled = deepcopy(snapnums_dipoles_d)
# Do the mangling.
frequencies_CO2_d = mangle_dict_keys(frequencies_CO2_d)
intensities_CO2_d = mangle_dict_keys(intensities_CO2_d)
frequencies_noCT_CO2_d = mangle_dict_keys(frequencies_noCT_CO2_d)
intensities_noCT_CO2_d = mangle_dict_keys(intensities_noCT_CO2_d)
dipoles_d = mangle_dict_keys(dipoles_d)
snapnums_frequencies_d = mangle_dict_keys(snapnums_frequencies_d)
snapnums_frequencies_noCT_d = mangle_dict_keys(snapnums_frequencies_noCT_d)
snapnums_dipoles_d = mangle_dict_keys(snapnums_dipoles_d)
possible_keys = list(range(0, 18, 2)) + [32, 64, 128, 256]
markers = [
'o',
's',
'D',
'*',
