tests/testthat/test-rxode-issue-393.R

In nlmixr2/rxode2: Facilities for Simulating from ODE-Based Models

rxTest({
  test_that("RxODE#393", {
    filePath <- test_path("test-issue-393.qs")
    
    skip_if_not(file.exists(filePath))
    
    d <- qs::qread(filePath)
    
    mod1 <- rxode2({
      #  CLH = THETA[1];
      #  CLD = THETA[2];
      #  V_centr = THETA[3];
      #  V_peri = THETA[4];
      CLR <- 0
      ka <- 0
      FQ_LV <- 2.604
      BW <- 6.2 # kg
      Qh <- FQ_LV * BW
      RBP <- 0.679
      Fh <- 1 - CLH / RBP / Qh
      FaFg <- 1
      C_centr <- A_centr / V_centr  #           venous (VE) total  venous blood
      C_peri <- A_peri / V_peri  #  			arterial (AR) total  arterial blood
      d / dt(A_centr) <- -C_centr * (CLR + CLH) + C_peri * CLD - C_centr * CLD + ka * A_absorption  # 	central
      d / dt(A_peri) <- -C_peri * CLD + C_centr * CLD  # peripheral
      d / dt(A_absorption) <- -ka * A_absorption
      f(A_absorption) <- Fh * FaFg
    })
    
    mod2 <- rxode2({
      CLH <- THETA[1]
      CLD <- THETA[2]
      V_centr <- THETA[3]
      V_peri <- THETA[4]
      CLR <- 0
      ka <- 0
      FQ_LV <- 2.604
      BW <- 6.2 # kg
      Qh <- FQ_LV * BW
      RBP <- 0.679
      Fh <- 1 - CLH / RBP / Qh
      FaFg <- 1
      C_centr <- A_centr / V_centr  #           venous (VE) total  venous blood
      C_peri <- A_peri / V_peri  #  			arterial (AR) total  arterial blood
      d / dt(A_centr) <- -C_centr * (CLR + CLH) + C_peri * CLD - C_centr * CLD + ka * A_absorption  # 	central
      d / dt(A_peri) <- -C_peri * CLD + C_centr * CLD  # peripheral
      d / dt(A_absorption) <- -ka * A_absorption
      f(A_absorption) <- Fh * FaFg
    })
    
    
    s1 <- rxSolve(mod1, d, params = c(CLH = 2, CLD = 10, V_centr = 77, V_peri = 10), returnType = "data.frame")
    s2 <- rxSolve(mod2, d, params = setNames(c(2, 10, 77, 10), paste0("THETA[", 1:4, "]")), returnType = "data.frame")
    s2 <- s2[, names(s1)]
    expect_equal(s1, s2)
    
    s3 <- rxSolve(mod2, d,
                  params = c(c(CLR = 0, ka = 0, FQ_LV = 2.604, BW = 6.2, RBP = 0.679, FaFg = 1), setNames(c(2, 10, 77, 10), paste0("THETA[", 1:4, "]"))),
                  returnType = "data.frame"
                  )
    
    s3 <- s3[, names(s1)]
    expect_equal(s1, s3)
    
    s4 <- rxSolve(mod2, d, theta = c(2, 10, 77, 10), returnType = "data.frame")
    
    s4 <- s4[, names(s1)]
    expect_equal(s1, s3)
    
    s5 <- rxSolve(mod2, d, theta = c(2, 10, 77, 10))
    
    s6 <- rxSolve(mod2, d, params = setNames(c(2, 10, 77, 10), paste0("THETA[", 1:4, "]")))
  })
})