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] Velocity interpolation order 0 is not used #360

Closed ChiCheng45 closed 4 months ago

ChiCheng45 commented 5 months ago

Description of the error When there is velocity data and interpolation order is set 0 in the VACF for example MDANSE should use velocities to calculate the VACF. As far as I can tell if I set the interpolation order to 0 in the GUI and run VACF, MDANSE instead uses a interpolation order of 1. Also we should change the the interpolation order to a combobox since we only go up to order 5. The GUI allow us to go to higher numbers.

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Describe the expected result When the interpolation order is set to zero MDANSE should use the velocity data if available.

Describe the actual result MDANSE uses a interpolation order 1 instead of zero so doesn't use velocity data if available.

Suggested fix Replace the interpolation order selection to a combobox. Update MDANSE so that it uses velocity data when available, if it is not available then interpolation order zero should not be selectable in the GUI.