model creation working, validation report generation fails for large datasets

3 files changed, 57 insertions, 28 deletions

diff --git a/application.rb b/application.rb
index c18a394..5d5435e 100644
--- a/application.rb
+++ b/application.rb
@@ -51,21 +51,27 @@ end
 get '/model/:id/:view/?' do
   response['Content-Type'] = 'text/plain'
 	model = ToxCreateModel.get(params[:id])
-  model = model.process
+  model.process
+	model.save
 
   begin
     case params[:view]
       when "model"
 		    haml :model, :locals=>{:model=>model}, :layout => false
-		  when "classification_validation"
-		    haml :classification_validation, :locals=>{:model=>model}, :layout => false
-		  when "regression_validation"
-		    haml :regression_validation, :locals=>{:model=>model}, :layout => false
+		  when /validation/
+				if model.type == "classification"
+					haml :classification_validation, :locals=>{:model=>model}, :layout => false
+				elsif model.type == "regression"
+					haml :regression_validation, :locals=>{:model=>model}, :layout => false
+				else
+					return "Unknown model type '#{model.type}'"
+				end
 		  else
-		    return "render error"
+				return "unable to render model: id #{params[:id]}, view #{params[:view]}"
+		    #return "render error"
 		end
 	rescue
-    return "unable to render model"
+    return "unable to render model: id #{params[:id]}, view #{params[:view]}"
 	end
 end
 
@@ -145,7 +151,7 @@ post '/upload' do # create a new model
 	@model.warnings += "<p>Duplicated structures (all structures/activities used for model building, please  make sure, that the results were obtained from <em>independent</em> experiments):</p>" + duplicate_warnings unless duplicate_warnings.empty?
 	@model.save
 
-	flash[:notice] = "Model creation started. Please be patient - model building may take up to several hours depending on the number and size of the input molecules."
+	flash[:notice] = "Model creation and validation started - this may last up to several hours depending on the number and size of the training compounds."
 	redirect url_for('/models')
 
 	# TODO: check for empty model
diff --git a/model.rb b/model.rb
index 6430933..5b68558 100644
--- a/model.rb
+++ b/model.rb
@@ -15,7 +15,11 @@ class ToxCreateModel
 	property :created_at, DateTime
 
 	def status
-		RestClient.get(File.join(@task_uri, 'hasStatus')).body
+		#begin
+			RestClient.get(File.join(@task_uri, 'hasStatus')).body
+		#rescue
+		#	"Service offline"
+		#end
 	end
 
 	def validation_status
@@ -107,36 +111,47 @@ class ToxCreateModel
 
   def process
 
-    if !@uri and status == "Completed"
-			@uri = RestClient.get(File.join(@task_uri, 'resultURI')).body
+    if @uri.nil? and status == "Completed"
+			update :uri => RestClient.get(File.join(@task_uri, 'resultURI')).body
 			lazar = YAML.load(RestClient.get(@uri, :accept => "application/x-yaml").body)
 			case lazar.dependentVariables
 			when /classification/
-				@type = "classification"
+				update :type => "classification"
 			when /regression/
-				@type = "regression"
+				update :type => "regression"
 			else
-				@type = "unknown"
+				update :type => "unknown"
 			end
-			save
-		end
 
-		if !@validation_uri and validation_status == "Completed"
+		elsif @validation_uri.nil? and validation_status == "Completed"
 			begin
-				@validation_uri = RestClient.get(File.join(@validation_task_uri, 'resultURI')).body
+				update :validation_uri => RestClient.get(File.join(@validation_task_uri, 'resultURI')).body
 				LOGGER.debug "Validation URI: #{@validation_uri}"
-				@validation_report_task_uri = RestClient.post(File.join(@@config[:services]["opentox-validation"],"/report/crossvalidation"), :validation_uris => @validation_uri).body
+				update :validation_report_task_uri => RestClient.post(File.join(@@config[:services]["opentox-validation"],"/report/crossvalidation"), :validation_uris => @validation_uri).body
 				LOGGER.debug "Validation Report Task URI: #{@validation_report_task_uri}"
-				save
 			rescue
+				LOGGER.warn "Cannot create Validation Report Task #{@validation_report_task_uri} for  Validation URI #{@validation_uri} from Task #{@validation_task_uri}"
+			end
+
+		elsif @validation_report_uri.nil? and validation_report_status == "Completed"
+			begin
+				LOGGER.debug File.join(@validation_report_task_uri, 'resultURI')
+				LOGGER.debug "Report URI: "+RestClient.get(File.join(@validation_report_task_uri, 'resultURI')).body
+				update :validation_report_uri => RestClient.get(File.join(@validation_report_task_uri, 'resultURI')).body
+			rescue
+				LOGGER.warn "Cannot create Validation Report for  Task URI #{@validation_report_task_uri} "
 			end
 		end
-		if @validation_report_task_uri and !@validation_report_uri and validation_report_status == 'Completed'
-			@validation_report_uri = RestClient.get(File.join(@validation_report_task_uri, 'resultURI')).body
-		end
-  end
 
-	self
+		#LOGGER.debug self.to_yaml
+		#LOGGER.debug @uri
+		#LOGGER.debug @validation_uri
+		#LOGGER.debug @validation_uri.nil?
+		#LOGGER.debug validation_status
+		#LOGGER.debug self.validation_report_task_uri
+		#LOGGER.debug self.validation_report_uri
+		#self.save
+  end
 
 end
 
diff --git a/views/regression_validation.haml b/views/regression_validation.haml
index 983599b..6f9e106 100644
--- a/views/regression_validation.haml
+++ b/views/regression_validation.haml
@@ -11,9 +11,17 @@
         = v
       - else
         %dl
-          %dt Number of predictions:
-          %dd= v[:n]
-        %p= v.inspect
+          %dt Number of predictions
+          %dd= v[:num_instances] - v[:num_unpredicted]
+          %dt
+            %a{:href => "http://en.wikipedia.org/wiki/R-squared"} R-squared
+          %dd= sprintf '%.03g', v[:regression_statistics][:r_square]
+          %dt
+            %a{:href => "http://en.wikipedia.org/wiki/Root_mean_square_deviation"} Root Mean Square Error
+          %dd= sprintf '%.03g', v[:regression_statistics][:root_mean_squared_error]
+          %dt
+            %a{:href => "http://en.wikipedia.org/wiki/Mean_absolute_error"} Mean Absolute Error
+          %dd= sprintf '%.03g', v[:regression_statistics][:mean_absolute_error]
     - else
       = image_tag("/snake_transparent.gif") if model.validation_status == "Running"
       %a{:href => model.validation_task_uri} #{model.validation_status}