nlmixr2 / rxode2

rxode2
https://nlmixr2.github.io/rxode2/
GNU General Public License v3.0
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Incorrect results from the new version of rxode2 (version 2.1.3) #794

Open shawn-gx opened 6 days ago

shawn-gx commented 6 days ago

I ran the following code using the new version of rxode2, but the results are incorrect, and there were no warnings or error messages. Could anyone help me find the reason?

library(tidyverse)
library(rxode2)

mod1 <- rxode2({
  EV2BW = ((BW/61)^V2BW)
  V2 = V2 * EV2BW
  C2 <- centr/V2
  d/dt(centr) <- - CL * C2
}) 

dt <- eventTable() %>%
  add.dosing(dose=1200,rate=1200, nbr.doses=20, dosing.interval=21 * 24,start.time=0) %>%
  add.sampling(c(0, 0.5, 1, seq(1,21,1) * 24,
                 399 * 24, 399 * 24+0.5 , 399 * 24+1, seq(400,420,1) * 24)) %>% 
  et(id=1:2) %>% as.data.frame() %>%
  dplyr::mutate(BW=if_else(id==1,70,54),V2BW=if_else(id==1,0.6067,0.4693),
                CL=0.012,V2=2.6,
                amt=if_else(evid==1,BW * 20, amt),
                rate=if_else(evid==1,BW * 20, rate))

sim.dt <- rxSolve(mod1, dt)%>% 
  dplyr::select(id, time, C2, BW)

The new version of rxode2 changed the information of the dataset ("dt") when running the rxSolve function. a0918

rxode2_v2.0.13_R4.3.1.csv rxode2_v2.1.3_R4.4.1.csv

mattfidler commented 5 days ago

Well, I'm unsure exactly what happened in 2.1.3, but 3.0.0 (which I just submitted to cran), does not have this issue:

library(tidyverse)
library(rxode2)
#> rxode2 3.0.0 using 8 threads (see ?getRxThreads)
#>   no cache: create with `rxCreateCache()`

mod1 <- rxode2({
  EV2BW = ((BW/61)^V2BW)
  V2 = tV2 * EV2BW
  C2 <- centr/V2
  d/dt(centr) <- - CL * C2
})
#> using C compiler: ‘gcc (Ubuntu 11.4.0-1ubuntu1~22.04) 11.4.0’

dt <- eventTable() %>%
  add.dosing(dose=1200,rate=1200, nbr.doses=20, dosing.interval=21 * 24,start.time=0) %>%
  add.sampling(c(0, 0.5, 1, seq(1,21,1) * 24,
                 399 * 24, 399 * 24+0.5 , 399 * 24+1, seq(400,420,1) * 24)) %>%
  et(id=1:2) %>% as.data.frame() %>%
  dplyr::mutate(BW=if_else(id==1,70,54),V2BW=if_else(id==1,0.6067,0.4693),
                CL=0.012,tV2=2.6,
                amt=if_else(evid==1,BW * 20, amt),
                rate=if_else(evid==1,BW * 20, rate))

rxSolve(mod1, dt)%>%
  dplyr::select(id, BW) %>%
  table()
#>    BW
#> id  54 70
#>   1  0 48
#>   2 48  0

Created on 2024-09-18 with reprex v2.1.1

shawn-gx commented 5 days ago

@mattfidler Matt, thanks for your prompt reply. 3.0.0 has indeed fixed this issue.

mattfidler commented 5 days ago

And it even hit CRAN today 😄