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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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Atom selection dummy update #356

Closed ChiCheng45 closed 5 months ago

ChiCheng45 commented 5 months ago

Description of work Changed the all selector so that it does not include dummy atoms. Added a selector for dummy atoms. The default is now changed so that all atoms except dummy atoms are selected.

image

Fixes Closes #352.

To test

  1. Load a trajectory with dummy atoms.
  2. Using the atom selection run a analysis with and without dummy atoms.
  3. Load up the MDA file and check that dummy are or are not included.
  4. Load a trajectory without dummy atoms.
  5. The option to select dummy atoms in the atom selection helper should be greyed out.