tests/testthat/test-derived.R

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

rxTest({
  test_that("v1 rate constants", {

    p1 <- rxDerived(v1 = 8, k = 0.5, digits = 3)
    expect_equal(
      p1,
      structure(list(
        vc = 8, kel = 0.5, vss = 8, cl = 4, t12alpha = 1.39,
        alpha = 0.5, A = 0.125, fracA = 1
      ),
      class = "data.frame", row.names = c(NA, -1L)
      )
    )

    p1 <- rxDerived(v1 = 5, k = 0.7, k12 = 0.5, k21 = 0.05, digits = 3)

    expect_equal(
      p1,
      structure(list(
        vc = 5, kel = 0.7, k12 = 0.5, k21 = 0.05, vp = 50,
        vss = 55, cl = 3.5, q = 2.5, t12alpha = 0.568, t12beta = 24.2,
        alpha = 1.22, beta = 0.0287, A = 0.196, B = 0.00358, fracA = 0.982,
        fracB = 0.0179
      ),
      class = "data.frame",
      row.names = c(NA, -1L)
      )
    )

    p1 <- rxDerived(v1 = 10, k = 0.3, k12 = 0.2, k13 = 0.1, k21 = 0.02, k31 = 0.001, digits = 3)

    expect_equal(p1, structure(list(
      vc = 10, kel = 0.3, k12 = 0.2, k21 = 0.02, k13 = 0.1,
      k31 = 0.001, vp = 100, vp2 = 1000, vss = 1110, cl = 3, q = 2,
      q2 = 1, t12alpha = 1.14, t12beta = 52.2, t12gamma = 931,
      alpha = 0.607, beta = 0.0133, gamma = 0.000745, A = 0.0988,
      B = 0.00111, C = 6.47e-05, fracA = 0.988, fracB = 0.0111,
      fracC = 0.000647
    ),
    class = "data.frame",
    row.names = c(NA, -1L)
    ))
  })

  test_that("Volumes and clearances", {
    p1 <- rxDerived(v1 = 8.0, cl = 4.0, digits = 3)

    expect_equal(p1, structure(list(
      vc = 8, kel = 0.5, vss = 8, cl = 4, t12alpha = 1.39,
      alpha = 0.5, A = 0.125, fracA = 1
    ),
    class = "data.frame",
    row.names = c(NA, -1L)
    ))

    p1 <- rxDerived(v1 = 5.0, v2 = 50, cl = 3.5, q = 2.5, digits = 3)

    expect_equal(p1, structure(list(
      vc = 5, kel = 0.7, k12 = 0.5, k21 = 0.05, vp = 50,
      vss = 55, cl = 3.5, q = 2.5, t12alpha = 0.568, t12beta = 24.2,
      alpha = 1.22, beta = 0.0287, A = 0.196, B = 0.00358, fracA = 0.982,
      fracB = 0.0179
    ),
    class = "data.frame",
    row.names = c(NA, -1L)
    ))

    p1 <- rxDerived(
      v1 = 10, v2 = 100, v3 = 1000,
      cl = 3, q = 2, q2 = 1, digits = 3
    )

    expect_equal(p1, structure(list(
      vc = 10, kel = 0.3, k12 = 0.2, k21 = 0.02, k13 = 0.1,
      k31 = 0.001, vp = 100, vp2 = 1000, vss = 1110, cl = 3, q = 2,
      q2 = 1, t12alpha = 1.14, t12beta = 52.2, t12gamma = 931,
      alpha = 0.607, beta = 0.0133, gamma = 0.000745, A = 0.0988,
      B = 0.00111, C = 6.47e-05, fracA = 0.988, fracB = 0.0111,
      fracC = 0.000647
    ),
    class = "data.frame",
    row.names = c(NA, -1L)
    ))
  })
})