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Collection of depletion-related fixes and enhancements #2037
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Collection of depletion-related fixes and enhancements #2037
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Thanks for these timely improvements, I'm taking a look now and will run things tomorrow morning |
shimwell
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This looks good to merge to me, there is one optional change which is mainly due to my own bias towards f strings in all cases 😄 but either option is fine.
The addition of get_atom_densities adds a nice amount of convenience for the user 👍
The tiding up of the material id number using the private method _get_mat_index is also nice.
Tests pass and if we merge soon then this could be ready for the upcoming workshop which would be useful
I recently noticed that a few of the equations listed in the docstrings for the
CF4Integrator,CELIIntegrator, andEPCRK4Integratorclasses were not exactly right. This PR fixes the equations.Edit: I've added a bunch more fixes/enhancements related to depletion:
Integrator.integratenow has some minimal output that gives the user some feedback about the depletion timesteps and powers being usedAtomNumberclass now has aget_atom_densitiesmethod that gives you a dictionary mapping nuclides to densities for a given material -- this is the easiest way to see what the state of the class is for a given material. Also, I've made it so that you can pass aMaterialobject directly rather than (awkwardly) just a string of the ID.__repr__method for thedeplete.Nuclideclass that gives some basic infodiff_burnable_matswhereby materials were not getting correctly assigned when this flag was on