Atdhisto version 0#687
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| else: | ||
| energies.append(-1) | ||
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| colors = ["tab:orange", "white", "blue"] |
| cmap.set_bad(color="grey", alpha=0.6) | ||
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| fig, ax = plt.subplots() | ||
| im = ax.imshow(energy_matrix, cmap=cmap, norm=norm, origin="lower") |
| # print(len(special_non_local_A), len(special_non_local)) | ||
| # print(special_non_local_A[0]) | ||
| # print() | ||
| print(special_non_local[0]) |
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| # for a, b in all_combinations: | ||
| # print(a,b) | ||
| # aaa = type_definitions._c12_df.loc[ | ||
| # ((type_definitions._c12_df["atp1"] == a) & (type_definitions._c12_df["atp2"] == b)) | ||
| # | ((type_definitions._c12_df["atp1"] == b) & (type_definitions._c12_df["atp2"] == a)), | ||
| # "c12", | ||
| # ].values[0] | ||
| # print(f"c12 for {a}-{b}: {aaa}") |
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