summaryrefslogtreecommitdiff
diff options
context:
space:
mode:
authorgebele <gebele@in-silico.ch>2018-05-22 14:10:56 +0000
committergebele <gebele@in-silico.ch>2018-05-22 14:10:56 +0000
commitfa1137da0ed761f37d38b0cdd6002cb07fda99b9 (patch)
tree3bb4fcd72e2062cea7dfcc849275af76613b9d30
parent4187e0d88763f631d3f4f157203cc955067945e7 (diff)
adjusted warnings and endpoint for html and csv
-rw-r--r--application.rb11
-rw-r--r--helper.rb15
2 files changed, 7 insertions, 19 deletions
diff --git a/application.rb b/application.rb
index 75664de..8223bbe 100644
--- a/application.rb
+++ b/application.rb
@@ -95,17 +95,15 @@ get '/task/?' do
elsif !prediction[:value] && type == "Regression"
sorter << {"Prediction" => ""}
sorter << {"95% Prediction interval" => ""}
- sorter << {"Warnings" => prediction[:warnings].join("</br>")}
+ sorter << {"Warnings" => prediction[:warnings].last =~ /similar/ ? prediction[:warnings].last : prediction[:warnings].join("</br>")}
# classification
elsif prediction[:value] && type == "Classification"
- sorter << {"Lazar mutagenicity (Salmonella typhimurium)" => ""}
sorter << {"Prediction" => prediction[:value]}
sorter << {"Probability" => prediction[:probabilities].collect{|k,v| "#{k}: #{v.signif(3)}"}.join("</br>")}
elsif !prediction[:value] && type == "Classification"
- sorter << {"Lazar mutagenicity (Salmonella typhimurium)" => ""}
sorter << {"Prediction" => ""}
sorter << {"Probability" => ""}
- sorter << {"Warnings" => prediction[:warnings].join("</br>")}
+ sorter << {"Warnings" => prediction[:warnings].last =~ /similar/ ? prediction[:warnings].last : prediction[:warnings].join("</br>")}
end
sorter.each_with_index do |hash,idx|
k = hash.keys[0]
@@ -260,9 +258,8 @@ post '/predict/?' do
# add header for classification
if type == "Classification"
av = m.prediction_feature.accept_values
- header = "ID,Input,Endpoint,Unique SMILES,inTrainingSet,Measurements,Consensus Prediction,Consensus Confidence,"\
- "Structural alerts for mutagenicity,Lazar Prediction,"\
- "Lazar predProbability #{av[0]},Lazar predProbability #{av[1]},inApplicabilityDomain,Note\n"
+ header = "ID,Input,Endpoint,Unique SMILES,inTrainingSet,Measurements,"\
+ "Lazar Prediction,Lazar predProbability #{av[0]},Lazar predProbability #{av[1]},inApplicabilityDomain,Note\n"
end
# predict compounds
p = 100.0/@compounds.size
diff --git a/helper.rb b/helper.rb
index c4c6d2b..aa2ae79 100644
--- a/helper.rb
+++ b/helper.rb
@@ -79,11 +79,8 @@ helpers do
prediction[:probabilities].each{|k,v| output['probabilities'] << v.signif(3)}
end
- line += "Consensus mutagenicity,#{compound.smiles},"\
+ line += "#{output['model_name']},#{compound.smiles},"\
"\"#{prediction[:info] ? prediction[:info] : "no"}\",\"#{output['measurements'].join("; ") if prediction[:info]}\","\
- "#{prediction['Consensus prediction']},"\
- "#{prediction['Consensus confidence']},"\
- "#{prediction['Structural alerts for mutagenicity']},"\
"#{output['prediction_value']},"\
"#{!prediction[:probabilities].blank? ? output['probabilities'].first : ""},"\
"#{!prediction[:probabilities].blank? ? output['probabilities'].last : ""},"\
@@ -100,20 +97,14 @@ helpers do
"from this compound was removed from the training data before the "\
"prediction to obtain unbiased results."
end
- note = "\"#{prediction[:warnings].join(" ")}\""
-
- output['warnings'] = prediction[:warnings]
- output['info'] = prediction[:info] if prediction[:info]
+ note = "\"#{prediction[:warnings].last =~ /similar/ ? prediction[:warnings].last : prediction[:warnings].join(" ")}\""
if model.regression?
line += "#{output['model_name']},#{compound.smiles},#{prediction[:info] ? prediction[:info] : "no"},"\
"#{prediction[:measurements].collect{|m| m.delog10.signif(3)}.join("; ") if prediction[:info]},,,,,,,"+ [inApp,note].join(",")+"\n"
else
- line += "Consensus mutagenicity,#{compound.smiles},"\
+ line += "#{output['model_name']},#{compound.smiles},"\
"\"#{prediction[:info] ? prediction[:info] : "no"}\",\"#{output['measurements'].join("; ") if prediction[:info]}\","\
- "#{prediction['Consensus prediction']},"\
- "#{prediction['Consensus confidence']},"\
- "#{prediction['Structural alerts for mutagenicity']},"\
"#{output['prediction_value']},"\
"#{!prediction[:probabilities].blank? ? output['probabilities'].first : ""},"\
"#{!prediction[:probabilities].blank? ? output['probabilities'].last : ""},"\