Fix error estimate
Fixes #89 (closed)
Changes made in this Pull Request:
- Use correct error propagation in EpsilonPlanar
Error looks reasoanble now (blue bars are the errors).
Code for the plots
datapath = "../../../../tests/data/airwater"
u = mda.Universe(f'{datapath}/topol.tpr', f'{datapath}/traj.trr')
eplan = maicos.EpsilonPlanar(u.atoms).run()
plt.errorbar(eplan.results.z,
eplan.results.eps_par.flatten(),
yerr=eplan.results.deps_par.flatten())
plt.plot(eplan.results.z,
eplan.results.eps_par.flatten(),c="red",zorder=10)
plt.ylabel("eps_par")
plt.xlabel("z")
plt.show()
plt.errorbar(eplan.results.z,
eplan.results.eps_perp.flatten(),
yerr=eplan.results.deps_perp.flatten())
plt.plot(eplan.results.z,
eplan.results.eps_perp.flatten(),c="red",zorder=10)
plt.ylabel("eps_perp")
plt.xlabel("z")
plt.show()