Fast analytical solutions for saemix, update.mmkin

Also, use logit transformation for g and for solitary formation
fractions, addressing #10.

1 files changed, 16 insertions, 9 deletions

diff --git a/test.log b/test.log
index b356bac5..318cc304 100644
--- a/test.log
+++ b/test.log
@@ -5,11 +5,11 @@ Testing mkin
 ✔ |   2       | Export dataset for reading into CAKE
 ✔ |  14       | Results for FOCUS D established in expertise for UBA (Ranke 2014) [0.9 s]
 ✔ |   4       | Calculation of FOCUS chi2 error levels [0.4 s]
-✔ |   7       | Fitting the SFORB model [3.3 s]
-✔ |   5       | Analytical solutions for coupled models [3.2 s]
+✔ |   7       | Fitting the SFORB model [3.4 s]
+✔ |   5       | Analytical solutions for coupled models [3.1 s]
 ✔ |   5       | Calculation of Akaike weights
 ✔ |  10       | Confidence intervals and p-values [1.0 s]
-✔ |  14       | Error model fitting [4.1 s]
+✔ |  14       | Error model fitting [4.3 s]
 ✔ |   4       | Test fitting the decline of metabolites from their maximum [0.3 s]
 ✔ |   1       | Fitting the logistic model [0.2 s]
 ✔ |   1       | Test dataset class mkinds used in gmkin
@@ -25,7 +25,7 @@ Reason: getRversion() < "4.1.0"  is TRUE
 test_nafta.R:53: skip: Test data from Appendix D are correctly evaluated
 Reason: getRversion() < "4.1.0"  is TRUE
 ────────────────────────────────────────────────────────────────────────────────
-✔ |   9       | Nonlinear mixed-effects models [7.7 s]
+✔ |   9       | Nonlinear mixed-effects models [7.9 s]
 ✔ |   0     1 | Plotting [0.7 s]
 ────────────────────────────────────────────────────────────────────────────────
 test_plot.R:24: skip: Plotting mkinfit and mmkin objects is reproducible
@@ -33,16 +33,23 @@ Reason: getRversion() < "4.1.0"  is TRUE
 ────────────────────────────────────────────────────────────────────────────────
 ✔ |   4       | Residuals extracted from mkinfit models
 ✔ |   2       | Complex test case from Schaefer et al. (2007) Piacenza paper [1.5 s]
-✔ |   4       | Summary [0.1 s]
+✖ |   3 1     | Summary [0.1 s]
+────────────────────────────────────────────────────────────────────────────────
+test_summary.R:17: failure: Summaries are reproducible
+Results have changed from known value recorded in 'summary_DFOP_FOCUS_C.txt'.
+1/82 mismatches
+x[66]: "parent     2.661       4  5"
+y[66]: "parent     2.495       3  6"
+────────────────────────────────────────────────────────────────────────────────
 ✔ |   1       | Summaries of old mkinfit objects
 ✔ |   4       | Results for synthetic data established in expertise for UBA (Ranke 2014) [2.2 s]
-✔ |   9       | Hypothesis tests [6.7 s]
+✔ |   9       | Hypothesis tests [7.0 s]
 ✔ |   4       | Calculation of maximum time weighted average concentrations (TWAs) [2.5 s]
 
 ══ Results ═════════════════════════════════════════════════════════════════════
-Duration: 37.5 s
+Duration: 38.1 s
 
-OK:       146
-Failed:   0
+OK:       145
+Failed:   1
 Warnings: 0
 Skipped:  3