Fix pk.nca() error on unsorted concentration-time data (#568)#569
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Group-level concentration data (passed as conc.group/time.group to parameters such as aucint*) was passed to the calculation routines in its original row order. Parameters that interpolate/extrapolate over the full group via interp.extrap.conc() assert that time is sorted, so unsorted input rows caused a "Must be sorted" error. Sort data_conc by time at the top of pk.nca.intervals() so the group-level vectors are time-ordered. The interval-level data were already sorted per interval, so only the group-level path was affected. Adds a regression test verifying that unsorted input produces the same results as pre-sorted input across aucint*, cmax, and half.life, and a NEWS.md entry. Fixes the issue reported in humanpred/pknca issue 568. Co-Authored-By: Claude Opus 4.8 <noreply@anthropic.com>
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Group-level concentration data (passed as
conc.group/time.grouptoparameters such as
aucint*) was passed to the calculation routines inits original row order. Those parameters interpolate/extrapolate over the
full group via
interp.extrap.conc(), which asserts that time is sorted,so unsorted input rows caused a "Must be sorted" error.
Fix: sort
data_concby time at the top ofpk.nca.intervals(). Theinterval-level data were already sorted per interval, so only the
group-level path was affected.
Adds a regression test (unsorted input matches pre-sorted results across
aucint*, cmax, half.life) and a NEWS.md entry.
Fixes #568.