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In creation of a DCD timeseries, a step of -1 should yield a timeseries that travels backwards across a DCD file.
The DCD timeseries will behave as if a step of 1 was given, and the increment from the start.
import MDAnalysis as mda u = mda.Universe(PSF, DCD) atoms = u.select_atoms('backbone and name CA') ts = u.trajectory.timeseries(atoms) ts_negative = u.trajectory.timeseries(atoms, start=5, stop=1, step=-1) # (ts[:, 5:1:-1, :] != ts_negative # ts_negative == ts[:, 5:9:1, :]
Trying to grok the C code. Give me a few hours, days, months
0.15.1-dev0
The text was updated successfully, but these errors were encountered:
This was fixed with #1372:
>>> np.allclose(ts[:, 5:1:-1, :], ts_negative) True
(and this test was run under Python 3 ;-))
Sorry, something went wrong.
@kain88-de I am awarding this one to you post-closure ;-)
kain88-de
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Expected behaviour
In creation of a DCD timeseries, a step of -1 should yield a timeseries that travels backwards across a DCD file.
Actual behaviour
The DCD timeseries will behave as if a step of 1 was given, and the increment from the start.
Code to reproduce the behaviour
Current reason for this behavior
Trying to grok the C code. Give me a few
hours,days, monthsCurrent version of MDAnalysis:
0.15.1-dev0
The text was updated successfully, but these errors were encountered: