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tensfeldt / openNCA

openNCA computation engine is an R package that provides for generation of pharmacokinetic parameter estimates using non-compartmental (NCA) pharmacokinetic analysis methods.
MIT License
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2020-10-05 tc131_M1SS fails if OPTIMZEKEL isn't defined in MCT #273

Open tensfeldt opened 4 years ago

tensfeldt commented 4 years ago

tc131_M1SS fails because OPTIMIZEKEL is not defined in MCT for commits cc452d and 472a0a2.

Behavior is not defined for this missing configuration item.

Expectation is that if OPTIMIZEKEL is missing in MCT, openNCA CE should assume OPTIMIZEKEL==0, i.e. do not attempt optimization/guided selection.

> results_list <- run_computation(data=d, map=mct, flag=flags, parameterset=parameterset)
openNCA computation engine version 2.0.0
Computation Run Date/Time: 2020-10-05 10:39:34
Error in `[.data.frame`(map_data, , "OPTIMIZEKEL") : 
  undefined columns selected
In addition: Warning messages:
1: In run_computation(data = d, map = mct, flag = flags, parameterset = parameterset) :
  'TAUs and TOLDs values are not provided via 'flag'! Using values provided via 'data' instead (if present)!
2: In run_computation(data = d, map = mct, flag = flags, parameterset = parameterset) :
  'RETURNCOLS' values provided via 'map' are not used for this computation
3: In run_M1_SS_computation(data = merged_data, map = map_data, method = method,  :
  Flag 'FLGACCEPTKELCRIT' is not present in the dataset
4: In run_M1_SS_computation(data = merged_data, map = map_data, method = method,  :
  Flag 'FLGACCEPTTAU' cannot be computed if 'LASTTIMEACCEPTCRIT' is not provided
5: In run_M1_SS_computation(data = merged_data, map = map_data, method = method,  :
  Flag 'FLGEMESIS' is not present in the dataset
6: In run_M1_SS_computation(data = merged_data, map = map_data, method = method,  :
  Flag 'FLGACCEPTPREDOSECRIT' is not present in the dataset
7: In run_M1_SS_computation(data = merged_data, map = map_data, method = method,  :
  Flag 'FLGACCEPTTAU' is not present in the dataset
8: In run_M1_SS_computation(data = merged_data, map = map_data, method = method,  :
  Flag 'SPANRATIOCRIT' is not present in the dataset

tc131_M1SS runs to completion if OPTIMIZEKEL==0 is added to MCT.