Fork the gmkin GUI from mkin. See ChangeLog for details

1 files changed, 0 insertions, 86 deletions

diff --git a/inst/unitTests/runit.mkinpredict.R b/inst/unitTests/runit.mkinpredict.R
deleted file mode 100644
index 997857c..0000000
--- a/inst/unitTests/runit.mkinpredict.R
+++ /dev/null
@@ -1,86 +0,0 @@
-# $Id: jranke $

-

-# Copyright (C) 2012 Johannes Ranke

-# Contact: jranke@uni-bremen.de

-

-# This file is part of the R package mkin

-

-# mkin is free software: you can redistribute it and/or modify it under the

-# terms of the GNU General Public License as published by the Free Software

-# Foundation, either version 3 of the License, or (at your option) any later

-# version.

-

-# This program is distributed in the hope that it will be useful, but WITHOUT

-# ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS

-# FOR A PARTICULAR PURPOSE.  See the GNU General Public License for more

-# details.

-

-# You should have received a copy of the GNU General Public License along with

-# this program. If not, see <http://www.gnu.org/licenses/>

-

-# Check solution types for SFO {{{

-test.SFO_solution_types <- function()

-{

-  ot = seq(0, 100, by = 1)

-  SFO <- mkinmod(parent = list(type = "SFO"))

-  SFO.analytical <- round(subset(mkinpredict(SFO, c(k_parent_sink = 0.1),

-        c(parent = 100), ot, solution_type = "analytical"), time == 100), digits=5)

-  SFO.deSolve <- round(subset(mkinpredict(SFO, c(k_parent_sink = 0.1),

-        c(parent = 100), ot, solution_type = "deSolve"), time == 100), digits=5)

-  SFO.eigen <- round(subset(mkinpredict(SFO, c(k_parent_sink = 0.1),

-        c(parent = 100), ot, solution_type = "eigen"), time == 100), digits=5)

-

-  checkEquals(SFO.analytical, SFO.deSolve)

-  checkEquals(SFO.analytical, SFO.eigen)

-} # }}}

-

-# Check model specification and solution types for SFO_SFO {{{

-# Relative Tolerance is 0.01%

-# Do not use time 0, as eigenvalue based solution does not give 0 at time 0 for metabolites

-# and relative tolerance is thus not met

-test.SFO_solution_types <- function()

-{

-  tol = 0.01

-  SFO_SFO.1 <- mkinmod(parent = list(type = "SFO", to = "m1"),

-         m1 = list(type = "SFO"), use_of_ff = "min")

-  SFO_SFO.2 <- mkinmod(parent = list(type = "SFO", to = "m1"),

-         m1 = list(type = "SFO"), use_of_ff = "max")

-

-  ot = seq(0, 100, by = 1)

-  r.1.e <- subset(mkinpredict(SFO_SFO.1, 

-             c(k_parent_m1 = 0.1, k_parent_sink = 0.1, k_m1_sink = 0.1), 

-             c(parent = 100, m1 = 0), ot, solution_type = "eigen"), 

-                 time %in% c(1, 10, 50, 100))

-  r.1.d <- subset(mkinpredict(SFO_SFO.1, 

-             c(k_parent_m1 = 0.1, k_parent_sink = 0.1, k_m1_sink = 0.1), 

-             c(parent = 100, m1 = 0), ot, solution_type = "deSolve"), 

-                 time %in% c(1, 10, 50, 100))

-

-  r.2.e <- subset(mkinpredict(SFO_SFO.2, c(k_parent = 0.2, f_parent_to_m1 = 0.5, k_m1 = 0.1), 

-	    c(parent = 100, m1 = 0), ot, solution_type = "eigen"),

-                  time %in% c(1, 10, 50, 100))

-  r.2.d <- subset(mkinpredict(SFO_SFO.2, c(k_parent = 0.2, f_parent_to_m1 = 0.5, k_m1 = 0.1), 

-	    c(parent = 100, m1 = 0), ot, solution_type = "deSolve"),

-                  time %in% c(1, 10, 50, 100))

-

-  # Compare eigen and deSolve for minimum use of formation fractions

-  dev.1.e_d.percent = 100 * (r.1.e[-1] - r.1.d[-1])/r.1.e[-1]

-  dev.1.e_d.percent = as.numeric(unlist((dev.1.e_d.percent)))

-  dev.1.e_d.percent = ifelse(is.na(dev.1.e_d.percent), 0, dev.1.e_d.percent)

-  checkIdentical(dev.1.e_d.percent < tol, rep(TRUE, length(dev.1.e_d.percent)))

-

-  # Compare eigen and deSolve for maximum use of formation fractions

-  dev.2.e_d.percent = 100 * (r.1.e[-1] - r.1.d[-1])/r.1.e[-1]

-  dev.2.e_d.percent = as.numeric(unlist((dev.2.e_d.percent)))

-  dev.2.e_d.percent = ifelse(is.na(dev.2.e_d.percent), 0, dev.2.e_d.percent)

-  checkIdentical(dev.2.e_d.percent < tol, rep(TRUE, length(dev.2.e_d.percent)))

-

-  # Compare minimum and maximum use of formation fractions

-  dev.1_2.e.percent = 100 * (r.1.e[-1] - r.2.e[-1])/r.1.e[-1]

-  dev.1_2.e.percent = as.numeric(unlist((dev.1_2.e.percent)))

-  dev.1_2.e.percent = ifelse(is.na(dev.1_2.e.percent), 0, dev.1_2.e.percent)

-  checkIdentical(dev.1_2.e.percent < tol, rep(TRUE, length(dev.1_2.e.percent)))

-

-} # }}}

-

-# vim: set foldmethod=marker ts=2 sw=2 expandtab: