Saving simulation gives error

[JohannesBuchner]

Traceback (most recent call last):
  File "/mnt/data/daten/PostDoc2/home/Downloads/GO-RXR/GUI_GO.py", line 9002, in _saveSimulation
    ds.saveSimulationHDF5(self.fname, sim_dict, self.version)
  File "/mnt/data/daten/PostDoc2/home/Downloads/GO-RXR/UTILS/data_structure.py", line 492, in saveSimulationHDF5
    simulated = f['Simulated_data']
                ~^^^^^^^^^^^^^^^^^^
  File "h5py/_debian_h5py_serial/_objects.pyx", line 54, in h5py._debian_h5py_serial._objects.with_phil.wrapper
  File "h5py/_debian_h5py_serial/_objects.pyx", line 55, in h5py._debian_h5py_serial._objects.with_phil.wrapper
  File "/usr/lib/python3/dist-packages/h5py/_debian_h5py_serial/_hl/group.py", line 357, in __getitem__
    oid = h5o.open(self.id, self._e(name), lapl=self._lapl)
          ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
  File "h5py/_debian_h5py_serial/_objects.pyx", line 54, in h5py._debian_h5py_serial._objects.with_phil.wrapper
  File "h5py/_debian_h5py_serial/_objects.pyx", line 55, in h5py._debian_h5py_serial._objects.with_phil.wrapper
  File "h5py/_debian_h5py_serial/h5o.pyx", line 189, in h5py._debian_h5py_serial.h5o.open
KeyError: "Unable to open object (object 'Simulated_data' doesn't exist)"

[jpcurbelo]

Hi! I wasn't able to reproduce exactly this issue, although, got KeyError: "Unable to synchronously open object (object 'Simulated_data' doesn't exist)" when saving the simulation. However, a demo.h5 file is saved in the root dir as expected. We are working on fixing this and improving the saving process. In the meantime, could you, please, let us know if any file was saved when you tried? Thanks.

[jpcurbelo]

We have implemented some updates to the load/save menus:

1- Got rid of the Load/Save Orbitals entries. Commented the functions _loadOrbitals and _saveOrbitals and added this comment: "This should be implemented/updated on Jordan's update - summer 2024".
2- Save Simulation/Sample/Summary are disable when the GUI is loaded. Save Simulation is also enabled after Import Dataset or Load ReMagX.

• Save Summary is enabled at the end of optimizationFinished.
• Save Summary is disabled after the user loads workspace (_loadFile) or load sample (_loadSample)
• Save Simulation and Save Sample are enable when the user Load Workspace (_loadFile) or Save Workspace As (_saveAsFile). This procedure eliminates the issue the reviewer noticed - error when trying to save the simulation before saving the workspace.
• We added a (2s) pop-up message (and terminal log) to let the user know how the saving went.