Description
When using plot_density
on a 2D PCA projection of the well-known pentapeptide system, it looks to me as if variables are being plotted in reverse order in the density function (that is, plot_energy2d
. I've attached my conda list so you can see the environment I'm working in (msmcondalist.txt).
Compare (pc2,pc1 in a different order in the two functions, result in plots that look the same):
fig,axes = plt.subplots(1,2,figsize=(8,3))
deeptime.plots.plot_density(pc1,pc2, ax=axes[0])
energies = deeptime.util.energy2d(pc2,pc1)
deeptime.plots.plot_energy2d(energies,ax=axes[1])
for ax in axes.flat[1:]:
ax.set_xlabel('PC 1')
ax.set_ylabel('PC 2')
fig.tight_layout()
which results in
versus (pc1,pc2 given in the same order in both functions)
fig,axes = plt.subplots(1,2,figsize=(8,3))
deeptime.plots.plot_density(pc1,pc2, ax=axes[0])
energies = deeptime.util.energy2d(pc1,pc2)
deeptime.plots.plot_energy2d(energies,ax=axes[1])
for ax in axes.flat[1:]:
ax.set_xlabel('PC 1')
ax.set_ylabel('PC 2')
fig.tight_layout()
which results in