From fb014522ddc1057e85d3c08ab2cd753bd79bd857 Mon Sep 17 00:00:00 2001
From: jranke <jranke@edb9625f-4e0d-4859-8d74-9fd3b1da38cb>
Date: Mon, 31 May 2010 21:17:58 +0000
Subject: - Added a test based on the KinGUI paper "complex case" - Fix the
 DT50 calculation for the SFORB model - Added a bit more of a description

git-svn-id: svn+ssh://svn.r-forge.r-project.org/svnroot/kinfit/pkg/mkin@11 edb9625f-4e0d-4859-8d74-9fd3b1da38cb
---
 inst/unitTests/runit.mkinfit.R | 35 +++++++++++++++++++++++++++++++++++
 1 file changed, 35 insertions(+)
 create mode 100644 inst/unitTests/runit.mkinfit.R

(limited to 'inst')

diff --git a/inst/unitTests/runit.mkinfit.R b/inst/unitTests/runit.mkinfit.R
new file mode 100644
index 00000000..6dbd11f2
--- /dev/null
+++ b/inst/unitTests/runit.mkinfit.R
@@ -0,0 +1,35 @@
+test.mkinmod.schaefer07_complex_example <- function()
+{
+  schaefer07_complex_model <- mkinmod(
+    parent = list(type = "SFO", to = c("A1", "B1", "C1"), sink = FALSE),
+    A1 = list(type = "SFO", to = "A2"),
+    B1 = list(type = "SFO"),
+    C1 = list(type = "SFO"),
+    A2 = list(type = "SFO"))
+  
+  fit <- mkinfit(schaefer07_complex_model, 
+    mkin_wide_to_long(schaefer07_complex_case, time = "time"),
+    parms.ini = c(0.1, 0.1, 0.1, 0.01, 0.1, 0.1, 0.1, 0.1))
+  s <- summary(fit)
+  attach(as.list(fit$par))
+  k_parent <- sum(k_parent_A1, k_parent_B1, k_parent_C1)
+  r <- schaefer07_complex_results
+  r$mkin <- c(
+    k_parent,
+    s$distimes["parent", "DT50"],
+    k_parent_A1/k_parent,
+    sum(k_A1_sink, k_A1_A2),
+    s$distimes["A1", "DT50"],
+    k_parent_B1/k_parent,
+    k_B1_sink,
+    s$distimes["B1", "DT50"],
+    k_parent_C1/k_parent,
+    k_C1_sink,
+    s$distimes["C1", "DT50"],
+    k_A1_A2/(k_A1_A2 + k_A1_sink),
+    k_A2_sink,
+    s$distimes["A2", "DT50"])
+  r$means <- (r$KinGUI + r$ModelMaker)/2
+  r$mkin.deviation <- abs(round(100 * ((r$mkin - r$means)/r$means), digits=1))
+  checkTrue(r$mkin.deviation < 10)
+}
-- 
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