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author | Johannes Ranke <jranke@uni-bremen.de> | 2017-07-21 14:42:14 +0200 |
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committer | Johannes Ranke <jranke@uni-bremen.de> | 2017-07-21 14:42:14 +0200 |
commit | 4a918da6d5f971335b74b0fc83cb08f5c3163f95 (patch) | |
tree | ce67e7a1b2f4763342bee6f4ef9af283b74a27c0 /R/twa.R | |
parent | 4f73b627fefd78405d9d996ca096cd9dd2b958c9 (diff) |
Rename twa to max_twa_parent, update docs
Diffstat (limited to 'R/twa.R')
-rw-r--r-- | R/twa.R | 65 |
1 files changed, 0 insertions, 65 deletions
diff --git a/R/twa.R b/R/twa.R deleted file mode 100644 index e8894b0b..00000000 --- a/R/twa.R +++ /dev/null @@ -1,65 +0,0 @@ -# Copyright (C) 2016 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/> - -twa <- function(fit, windows) { - parms.all <- c(fit$bparms.optim, fit$bparms.fixed) - obs_vars <- fit$obs_vars - if (length(obs_vars) > 1) { - warning("Calculation of maximum time weighted average concentrations is", - "currently only implemented for the parent compound using", - "analytical solutions") - } - obs_var <- obs_vars[1] - spec = fit$mkinmod$spec - type = spec[[1]]$type - - M0 <- parms.all[paste0(obs_var, "_0")] - - if (type == "SFO") { - k_name <- paste0("k_", obs_var) - if (fit$mkinmod$use_of_ff == "min") { - k_name <- paste0(k_name, "_sink") - } - k <- parms.all[k_name] - twafunc <- function(t) { - M0 * (1 - exp(- k * t)) / (k * t) - } - } - if (type == "FOMC") { - alpha <- parms.all["alpha"] - beta <- parms.all["beta"] - twafunc <- function(t) { - M0 * (beta)/(t * (1 - alpha)) * ((t/beta + 1)^(1 - alpha) - 1) - } - } - if (type == "DFOP") { - k1 <- parms.all["k1"] - k2 <- parms.all["k2"] - g <- parms.all["g"] - twafunc <- function(t) { - M0/t * ((g/k1) * (1 - exp(- k1 * t)) + ((1 - g)/k2) * (1 - exp(- k2 * t))) - } - } - if (type %in% c("HS", "IORE", "SFORB")) { - stop("Calculation of maximum time weighted average concentrations is currently ", - "not implemented for the ", type, " model.") - } - res <- twafunc(windows) - names(res) <- windows - return(res) -} |