- Added the header to the GUI file

- Code reformatting and some reorganisation



git-svn-id: svn+ssh://svn.r-forge.r-project.org/svnroot/kinfit/pkg/mkin@113 edb9625f-4e0d-4859-8d74-9fd3b1da38cb

1 files changed, 76 insertions, 44 deletions

diff --git a/inst/GUI/simple.R b/inst/GUI/simple.R
index 62cdeced..d3adcadc 100644
--- a/inst/GUI/simple.R
+++ b/inst/GUI/simple.R
@@ -1,25 +1,43 @@
+# $Id$ {{{1

+

 # Simple gWidgetsWWW2 GUI for mkin

+

+# Copyright (C) 2013 Johannes Ranke

+# Contact: jranke@uni-bremen.de, johannesranke@eurofins.com

+

+# 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/>

+require(mkin); require(canvas) # {{{1

 # Set the GUI title and create the parent frame {{{1

-require(mkin)

-require(canvas)

 GUI_title <- "Simple Browser based GUI for kinetic evaluations using mkin"

 w <- gwindow(GUI_title)

 sb <- gstatusbar("Powered by gWidgetsWWW2 and Rook", cont = w)

 g <- gframe(GUI_title, cont = w, use.scrollwindow = TRUE, horizontal = FALSE)

-

-# Set default values for project data objects {{{1

-project_file <- "mkin_project_1.RData"

-# Studies {{{2

+# Set default values for project data {{{1

+# Initial project file name {{{2

+project_file <- "mkin_FOCUS_2006.RData"

+# Initial studies {{{2

 studies.df <- data.frame(Index = as.integer(1), 

                          Author = "FOCUS kinetics workgroup",

                          Year = "2006", 

                          Title = "FOCUS Kinetics",

                          stringsAsFactors = FALSE)

 

-# Datasets {{{2

+# Initial datasets {{{2

 ds <- list()

 observed.all <- vector()

-# FOCUS 2006 datasets {{{3

 for (i in 1:5) {

   ds.letter = LETTERS[i]

   ds.index <- as.character(i)

@@ -38,8 +56,31 @@ for (i in 1:5) {
   ds[[ds.index]]$data$override = as.numeric(NA)

   ds[[ds.index]]$data$weight = 1

 }

-# Dataframe with datasets for selection with the gtable widget {{{2

-update_ds.df <- function() { # {{{3

+# Initial models {{{2

+m <- list()

+m[["1"]] <- mkinmod(parent = list(type = "SFO"))

+m[["1"]]$name = "SFO"

+m[["2"]] <- mkinmod(parent = list(type = "FOMC"))

+m[["2"]]$name = "FOMC"

+m[["3"]] <- mkinmod(parent = list(type = "DFOP"))

+m[["3"]]$name = "DFOP"

+m[["4"]] <- mkinmod(parent = list(type = "SFO", to = "m1"),

+                          m1 = list(type = "SFO"),

+                          use_of_ff = "max")

+m[["4"]]$name = "SFO_SFO"

+# Initial fits {{{2

+f <- list()

+override <- function(d) {

+  data.frame(name = d$name, time = d$time, 

+             value = ifelse(is.na(d$override), d$value, d$override),

+             weight = d$weight)

+}

+f[["1"]] <- mkinfit(m[["1"]], override(ds[["1"]]$data), err = "weight")

+f[["1"]]$dataset_title = ds[["1"]]$title

+f[["1"]]$model_name = m[["1"]]$name

+# Data frames with datasets, models and fits to be continuosly updated {{{1

+# Dataframe with datasets for selection {{{2

+update_ds.df <- function() {

   ds.n <- length(ds)

   ds.df <<- data.frame(Index = 1:ds.n, 

                        Title = character(ds.n),

@@ -56,23 +97,9 @@ update_ds.df <- function() { # {{{3
 }

 ds.df <- data.frame()

 update_ds.df()

-

-# Set the initial dataset number

 ds.cur = "1"

-# Models {{{2

-m <- list()

-m[["1"]] <- mkinmod(parent = list(type = "SFO"))

-m[["1"]]$name = "SFO"

-m[["2"]] <- mkinmod(parent = list(type = "FOMC"))

-m[["2"]]$name = "FOMC"

-m[["3"]] <- mkinmod(parent = list(type = "DFOP"))

-m[["3"]]$name = "DFOP"

-m[["4"]] <- mkinmod(parent = list(type = "SFO", to = "m1"),

-                          m1 = list(type = "SFO"),

-                          use_of_ff = "max")

-m[["4"]]$name = "SFO_SFO"

-# Dataframe with models for selection with the gtable widget {{{2

-update_m.df <- function() { # {{{3

+# Dataframe with models for selection {{{2

+update_m.df <- function() {

   m.n <- length(m)

   m.df <<- data.frame(Index = 1:m.n, 

                       Name = character(m.n),

@@ -84,12 +111,27 @@ update_m.df <- function() { # {{{3
 }

 m.df <- data.frame()

 update_m.df()

-

-# Set initial model number, and specification

 m.cur = "1"

-

-# Project data management {{{1

-upload_file_handler <- function(h, ...)  # {{{2

+# Dataframe with fits for selection {{{2

+update_f.df <- function() {

+  f.n <- length(f)

+  f.df <<- data.frame(Index = 1:f.n,

+                      Dataset = character(f.n),

+                      Model = character(f.n),

+                      stringsAsFactors = FALSE)

+  for (i in 1:f.n) {

+    f.index <- names(f)[[i]]

+    f.df[i, "Dataset"] <<- f[[f.index]]$dataset_title

+    f.df[i, "Model"] <<- f[[f.index]]$model_name

+  }

+}

+f.df <- data.frame()

+update_f.df()

+f.cur = "1"

+# Expandable group for project data management {{{1

+prg <- gexpandgroup("Project file management", cont = g)

+# Project data management handler functions {{{2

+upload_file_handler <- function(h, ...)

 {

   tmpfile <- normalizePath(svalue(h$obj), winslash = "/")

   try(load(tmpfile))

@@ -107,16 +149,13 @@ upload_file_handler <- function(h, ...)  # {{{2
   m.gtable[,] <- m.df

   update_m_editor()

 }

-save_to_file_handler <- function(h, ...) # {{{2

+save_to_file_handler <- function(h, ...)

 {

    studies.df <- data.frame(studies.gdf[,], stringsAsFactors = FALSE)

    save(studies.df, ds, m, file = project_file)

    galert(paste("Saved project contents to", project_file), parent = w)

 }

-

-# Add widgets for project file management to an expandable group {{{1

-prg <- gexpandgroup("Project file management", cont = g)

-

+# Project data management GUI elements {{{2

 pr.vg <- ggroup(cont = prg, horizontal = FALSE)

 pr.hg <- ggroup(cont = pr.vg, horizontal = TRUE)

 pr.gf <- gfile(text = "Select project file", cont = pr.hg,

@@ -469,14 +508,7 @@ prows <- plots <- list()
 

 # Show the fits {{{1

 #mf <- gnotebook(cont = g)

-#fits <- s <- s.gt <- list()

-#override <- function(d) {

-#  data.frame(name = d$name, time = d$time, 

-#             value = ifelse(d$override == "NA", d$value, d$override),

-#             weight = d$weight)

-#}

-#fits[[1]] <- mkinfit(m[[1]], override(ds[[1]]$data), err = "weight")

-#fits[[1]]$name <- "SFO fit to FOCUS dataset A"

+# s <- s.gt <- list()

 #s[[1]] <- summary(fits[[1]])

 #for (i in 1:length(fits)) {

 #  fits[[i]] <- gframe(fits[[1]]$name, cont = mf, label = i)