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authorJohannes Ranke <jranke@uni-bremen.de>2020-05-08 11:36:46 +0200
committerJohannes Ranke <jranke@uni-bremen.de>2020-05-08 11:36:46 +0200
commit2c313bdb12c5fcae8272600021fcedbc99425130 (patch)
tree873e660e78a02df22255143e2bc0913f077464a9
parentf6f8ca5142020c2c5b0628bdcae1e2d00b80c6d5 (diff)
Slight performance gain by reducing default n.outtimes
-rw-r--r--R/mkinfit.R4
-rw-r--r--man/mkinfit.Rd4
-rw-r--r--test.log28
3 files changed, 18 insertions, 18 deletions
diff --git a/R/mkinfit.R b/R/mkinfit.R
index 1ddb6f36..f5e7e493 100644
--- a/R/mkinfit.R
+++ b/R/mkinfit.R
@@ -104,7 +104,7 @@ if(getRversion() >= '2.15.1') utils::globalVariables(c("name", "time", "value"))
#' @param n.outtimes The length of the dataseries that is produced by the model
#' prediction function \code{\link{mkinpredict}}. This impacts the accuracy
#' of the numerical solver if that is used (see \code{solution_type}
-#' argument. The default value is 100.
+#' argument.
#' @param error_model If the error model is "const", a constant standard
#' deviation is assumed.
#'
@@ -248,7 +248,7 @@ mkinfit <- function(mkinmod, observed,
transform_rates = TRUE,
transform_fractions = TRUE,
quiet = FALSE,
- atol = 1e-8, rtol = 1e-10, n.outtimes = 100,
+ atol = 1e-8, rtol = 1e-10, n.outtimes = 10,
error_model = c("const", "obs", "tc"),
error_model_algorithm = c("auto", "d_3", "direct", "twostep", "threestep", "fourstep", "IRLS", "OLS"),
reweight.tol = 1e-8, reweight.max.iter = 10,
diff --git a/man/mkinfit.Rd b/man/mkinfit.Rd
index 89d2ddd6..b728aded 100644
--- a/man/mkinfit.Rd
+++ b/man/mkinfit.Rd
@@ -26,7 +26,7 @@ mkinfit(
quiet = FALSE,
atol = 1e-08,
rtol = 1e-10,
- n.outtimes = 100,
+ n.outtimes = 10,
error_model = c("const", "obs", "tc"),
error_model_algorithm = c("auto", "d_3", "direct", "twostep", "threestep",
"fourstep", "IRLS", "OLS"),
@@ -144,7 +144,7 @@ is 1e-10, much lower than in \code{\link{lsoda}}.}
\item{n.outtimes}{The length of the dataseries that is produced by the model
prediction function \code{\link{mkinpredict}}. This impacts the accuracy
of the numerical solver if that is used (see \code{solution_type}
-argument. The default value is 100.}
+argument.}
\item{error_model}{If the error model is "const", a constant standard
deviation is assumed.
diff --git a/test.log b/test.log
index e5161e55..db558407 100644
--- a/test.log
+++ b/test.log
@@ -2,32 +2,32 @@ Loading mkin
Testing mkin
✔ | OK F W S | Context
✔ | 2 | Export dataset for reading into CAKE
-✔ | 13 | Results for FOCUS D established in expertise for UBA (Ranke 2014) [3.6 s]
-✔ | 4 | Calculation of FOCUS chi2 error levels [2.2 s]
-✔ | 7 | Fitting the SFORB model [11.7 s]
+✔ | 13 | Results for FOCUS D established in expertise for UBA (Ranke 2014) [3.2 s]
+✔ | 4 | Calculation of FOCUS chi2 error levels [1.9 s]
+✔ | 7 | Fitting the SFORB model [9.9 s]
✔ | 5 | Calculation of Akaike weights
-✔ | 10 | Confidence intervals and p-values [9.4 s]
-✔ | 14 | Error model fitting [37.4 s]
-✔ | 6 | Test fitting the decline of metabolites from their maximum [0.8 s]
+✔ | 10 | Confidence intervals and p-values [8.5 s]
+✔ | 14 | Error model fitting [34.0 s]
+✔ | 6 | Test fitting the decline of metabolites from their maximum [0.7 s]
✔ | 1 | Fitting the logistic model [0.8 s]
✔ | 1 | Test dataset class mkinds used in gmkin
-✔ | 12 | Special cases of mkinfit calls [2.2 s]
+✔ | 12 | Special cases of mkinfit calls [2.1 s]
✔ | 8 | mkinmod model generation and printing [0.2 s]
✔ | 3 | Model predictions with mkinpredict [0.4 s]
-✔ | 16 | Evaluations according to 2015 NAFTA guidance [4.1 s]
-✔ | 9 | Nonlinear mixed-effects models [12.0 s]
+✔ | 16 | Evaluations according to 2015 NAFTA guidance [3.9 s]
+✔ | 9 | Nonlinear mixed-effects models [11.8 s]
✔ | 4 | Calculation of maximum time weighted average concentrations (TWAs) [2.4 s]
✔ | 3 | Summary
-✔ | 14 | Plotting [5.1 s]
+✔ | 14 | Plotting [4.5 s]
✔ | 4 | AIC calculation
✔ | 4 | Residuals extracted from mkinfit models
-✔ | 2 | Complex test case from Schaefer et al. (2007) Piacenza paper [5.3 s]
+✔ | 2 | Complex test case from Schaefer et al. (2007) Piacenza paper [4.0 s]
✔ | 1 | Summaries of old mkinfit objects
-✔ | 4 | Results for synthetic data established in expertise for UBA (Ranke 2014) [7.3 s]
-✔ | 9 | Hypothesis tests [38.1 s]
+✔ | 4 | Results for synthetic data established in expertise for UBA (Ranke 2014) [6.0 s]
+✔ | 9 | Hypothesis tests [29.9 s]
══ Results ═════════════════════════════════════════════════════════════════════
-Duration: 143.4 s
+Duration: 124.5 s
OK: 156
Failed: 0

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