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authorgebele <gebele@in-silico.ch>2018-04-24 10:58:01 +0000
committergebele <gebele@in-silico.ch>2018-04-24 10:58:01 +0000
commit43b257c759ae3b83ae68b0448e2e4cff67f951be (patch)
tree48fbfc8b48bda415214e48ee9e959fffe4fd547d /helper.rb
parent8a940a694366214164bcdb853388bc41ccbf4522 (diff)
always show sa prediction in batch mode
Diffstat (limited to 'helper.rb')
-rw-r--r--helper.rb13
1 files changed, 11 insertions, 2 deletions
diff --git a/helper.rb b/helper.rb
index ca20def..06b1517 100644
--- a/helper.rb
+++ b/helper.rb
@@ -109,8 +109,17 @@ helpers do
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},#{prediction[:info] ? prediction[:info] : "no"},"\
- "#{prediction[:measurements].join("; ") if prediction[:info]},,,,,,,"+ [inApp,note].join(",")+"\n"
+ #line += "Consensus mutagenicity,#{compound.smiles},#{prediction[:info] ? prediction[:info] : "no"},"\
+ # "#{prediction[:measurements].join("; ") if prediction[:info]},,,,,,,"+ [inApp,note].join(",")+"\n"
+ line += "Consensus mutagenicity,#{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 : ""},"\
+ "#{inApp},#{note.nil? ? "" : note}\n"
end
end