diff options
author | gebele <gebele@in-silico.ch> | 2018-04-24 10:58:01 +0000 |
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committer | gebele <gebele@in-silico.ch> | 2018-04-24 10:58:01 +0000 |
commit | 43b257c759ae3b83ae68b0448e2e4cff67f951be (patch) | |
tree | 48fbfc8b48bda415214e48ee9e959fffe4fd547d /helper.rb | |
parent | 8a940a694366214164bcdb853388bc41ccbf4522 (diff) |
always show sa prediction in batch mode
Diffstat (limited to 'helper.rb')
-rw-r--r-- | helper.rb | 13 |
1 files changed, 11 insertions, 2 deletions
@@ -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 |