From db1646611b4955637226b88d3a07203e5bd04eb7 Mon Sep 17 00:00:00 2001 From: Johannes Ranke Date: Thu, 26 Jun 2014 13:08:17 +0200 Subject: Avoid calculation of formation fractions if fitted --- ChangeLog | 5 +++-- R/endpoints.R | 8 +++++--- 2 files changed, 8 insertions(+), 5 deletions(-) diff --git a/ChangeLog b/ChangeLog index b3cf00f2..5b455706 100644 --- a/ChangeLog +++ b/ChangeLog @@ -3,8 +3,9 @@ * R/mkinresplot.R: Make it possible to specify xlim * R/geometric_mean.R, man/geometric_mean.Rd: Add geometric mean function - * R/mkinfit.R, man/mkinfit.Rd: Calculate additional (pseudo)-DT50 - values for FOMC, DFOP, HS and SFORB + * R/endpoints.R, man/endpoints.Rd: Calculate additional (pseudo)-DT50 + values for FOMC, DFOP, HS and SFORB. Avoid calculation of formation + fractions from rate constants when they are directly fitted 2014-05-20 Johannes Ranke for mkin (0.9-28) diff --git a/R/endpoints.R b/R/endpoints.R index 5150b4bd..0bd20ea7 100644 --- a/R/endpoints.R +++ b/R/endpoints.R @@ -32,9 +32,11 @@ endpoints <- function(fit) { k_tot = sum(parms.all[k_names]) DT50 = log(2)/k_tot DT90 = log(10)/k_tot - for (k_name in k_names) - { - ep$ff[[sub("k_", "", k_name)]] = parms.all[[k_name]] / k_tot + if (fit$mkinmod$use_of_ff == "min") { + for (k_name in k_names) + { + ep$ff[[sub("k_", "", k_name)]] = parms.all[[k_name]] / k_tot + } } } if (type == "FOMC") { -- cgit v1.2.1