ISISNeutronMuon / MDANSE

MDANSE: Molecular Dynamics Analysis for Neutron Scattering Experiments
https://www.isis.stfc.ac.uk/Pages/MDANSEproject.aspx
GNU General Public License v3.0
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[BUG] Trajectory.read_configuration_variable method does not exist #247

Closed MBartkowiakSTFC closed 9 months ago

MBartkowiakSTFC commented 11 months ago

Description of the error Trajectory.read_configuration_variable method is called in three source code files:

However, it is not defined anywhere in the source code of MDANSE.

Describe the actual result This will crash the code if a user tries to run an analysis without interpolating velocities.

Suggested fix It is possible that the method that was meant there is Trajectory.read_configuration_trajectory.

In the first step, try to replace the read_configuration_variable with read_configuration_trajectory, and check how the results compare to those with interpolated velocities.

Additional details N/A

MBartkowiakSTFC commented 9 months ago

This has been fixed.