# Copyright (C) 2018 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 context("Test fitting the decline of metabolites from their maximum") test_that("Fitting from maximum mean value works", { SFO_SFO <- mkinmod(parent = mkinsub("SFO", "m1"), m1 = mkinsub("SFO")) expect_error(mkinfit(SFO_SFO, FOCUS_2006_D, from_max_mean = TRUE)) # We can either explicitly create a model for m1, or subset the data SFO_m1 <- mkinmod(m1 = mkinsub("SFO")) f.1 <- mkinfit(SFO_m1, FOCUS_2006_D, from_max_mean = TRUE, quiet = TRUE) expect_equivalent(endpoints(f.1)$distimes["m1", ], c(170.8, 567.5), scale = 1, tolerance = 0.1) f.2 <- mkinfit("SFO", subset(FOCUS_2006_D, name == "m1"), from_max_mean = TRUE, quiet = TRUE) expect_equivalent(endpoints(f.2)$distimes["m1", ], c(170.8, 567.5), scale = 1, tolerance = 0.1) })