FXIhub / condor

Condor: a simulation tool for flash X-ray imaging

http://lmb.icm.uu.se/condor

BSD 2-Clause "Simplified" License

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qmap_cache not populated when simulating from atoms #19

Closed mhantke closed 6 years ago

mhantke commented 6 years ago

Under condor/examples/scripts/diffraction_3d/example.py, this code works flawlessly in plotting the real space object when using condor.ParticleMap for a sphere or icosahedron, but when I use condor.ParticleAtoms in order to use a PDB, I get the following error:

RuntimeError: Cache empty!

This occurs on line 22:

qmap

E.get_qmap_from_cache()