Closed tfamprikis closed 3 months ago
nevermind, was confused because of the name
right now, get_unit_vectors_trajectory()
only produces unit vectors if Orientations
is called with normalize_trajectory=True
. otherwise it doesnt (it does instead what I describe above)
should probably rename to make this clear.
also normalization should probably be a method rather than a parameter of Orientations
i.e. something like
get_unit_vectors_trajectory()
that forgoes the normalization to a unit vector, i.e. retains the information of bond/vector lengths.rn the only way to do this is to go through
get_conventional_coordinates()
which has the side effect of applying the primitive to conventional transformation that is not always needed.this function should then be used in all the
Orientations
transformation functions (e.g.get_symmetric_trajectory()
) and plots (rectilinear_plot
,bond_length_distribution
)