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KeyError: 0 #387

@maresb

Description

@maresb

After sampling completes, I get the following when saving. Working on a fix...

  Progress                              Draws      Divergences  Step size   Grad evals   Elapsed    Remaining 
 ─────────────────────────────────────────────────────────────────────────────────────────────────────────────
  ━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━   1800       0            0.17        31           20m        0s                                                                                                                                                                                                                   INFO       Found cached elastic operators at /home/mares/repos/celeri/wna/data/operators/c949182ff856c0a2.hdf5                                                                                                                                                                                                           
           - celeri.operators:_store_elastic_operators:1052 - 2026-01-22 17:04:34                                                                                                                                                                                                                                        
INFO       No source geometry changed since last computation. Using cached operator.                                                                                                                                                                                                                                     
           - celeri.operators:_store_elastic_operators:1077 - 2026-01-22 17:04:35                                                                                                                                                                                                                                        
INFO       Cache missing tde_to_velocities. Computing from scratch.                                                                                                                                                                                                                                                      
           - celeri.operators:_store_elastic_operators:1093 - 2026-01-22 17:04:35                                                                                                                                                                                                                                        
INFO       Recomputing 0 segments                                                                                                                                                                                                                                                                                        
           - celeri.operators:_store_elastic_operators:1099 - 2026-01-22 17:04:35                                                                                                                                                                                                                                        
INFO       Caching updated elastic operators                                                                                                                                                                                                                                                                             
           - celeri.operators:_store_elastic_operators:1131 - 2026-01-22 17:04:35                                                                                                                                                                                                                                        
ERROR      An error has been caught in function '<module>', process 'MainProcess' (70389), thread 'MainThread' (140704450004800):                                                                                                                                                                                        
           - __main__:<module>:10 - 2026-01-22 17:04:42                                                                                                                                                                                                                                                                  
           Traceback (most recent call last):                                                                                                                                                                                                                                                                            
             File "/home/mares/repos/celeri/.pixi/envs/default/lib/python3.13/site-packages/loguru/_logger.py", line 1297, in catch_wrapper                                                                                                                                                                              
               return function(*args, **kwargs)                                                                                                                                                                                                                                                                          
             File "/home/mares/repos/celeri/celeri/scripts/celeri_solve.py", line 40, in main                                                                                                                                                                                                                            
               estimation = celeri.solve_mcmc(model)                                                                                                                                                                                                                                                                     
             File "/home/mares/repos/celeri/celeri/solve_mcmc.py", line 740, in solve_mcmc                                                                                                                                                                                                                               
               state_vector = _state_vector_from_draw(                                                                                                                                                                                                                                                                   
                   model, operators_tde, trace.mean(["chain", "draw"])                                                                                                                                                                                                                                                   
               )                                                                                                                                                                                                                                                                                                         
             File "/home/mares/repos/celeri/celeri/solve_mcmc.py", line 755, in _state_vector_from_draw                                                                                                                                                                                                                  
               n_params = operators_tde.full_dense_operator.shape[1]                                                                                                                                                                                                                                                     
                          ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^                                                                                                                                                                                                                                                              
             File "/home/mares/repos/celeri/.pixi/envs/default/lib/python3.13/functools.py", line 1025, in __get__                                                                                                                                                                                                       
               val = self.func(instance)                                                                                                                                                                                                                                                                                 
             File "/home/mares/repos/celeri/celeri/operators.py", line 481, in full_dense_operator                                                                                                                                                                                                                       
               return get_full_dense_operator(self)                                                                                                                                                                                                                                                                      
             File "/home/mares/repos/celeri/celeri/operators.py", line 1830, in get_full_dense_operator                                                                                                                                                                                                                  
               operators.tde.tde_to_velocities[i].shape[0]                                                                                                                                                                                                                                                               
               ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~^^^                                                                                                                                                                                                                                                                        
           KeyError: 0                                                                                                                                                                                                                                                                                                   
                                                                                                                                                                                                                                                                                                                         
Traceback (most recent call last):
  File "/home/mares/repos/celeri/.pixi/envs/default/bin/celeri-solve", line 10, in <module>
    sys.exit(main())
             ~~~~^^
  File "/home/mares/repos/celeri/.pixi/envs/default/lib/python3.13/site-packages/loguru/_logger.py", line 1297, in catch_wrapper
    return function(*args, **kwargs)
  File "/home/mares/repos/celeri/celeri/scripts/celeri_solve.py", line 40, in main
    estimation = celeri.solve_mcmc(model)
  File "/home/mares/repos/celeri/celeri/solve_mcmc.py", line 740, in solve_mcmc
    state_vector = _state_vector_from_draw(
        model, operators_tde, trace.mean(["chain", "draw"])
    )
  File "/home/mares/repos/celeri/celeri/solve_mcmc.py", line 755, in _state_vector_from_draw
    n_params = operators_tde.full_dense_operator.shape[1]
               ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
  File "/home/mares/repos/celeri/.pixi/envs/default/lib/python3.13/functools.py", line 1025, in __get__
    val = self.func(instance)
  File "/home/mares/repos/celeri/celeri/operators.py", line 481, in full_dense_operator
    return get_full_dense_operator(self)
  File "/home/mares/repos/celeri/celeri/operators.py", line 1830, in get_full_dense_operator
    operators.tde.tde_to_velocities[i].shape[0]
    ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~^^^
KeyError: 0

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