diff options
author | dv <dv@dv.de> | 2011-07-11 12:42:28 +0200 |
---|---|---|
committer | dv <dv@dv.de> | 2011-07-11 12:42:28 +0200 |
commit | f9d650f9d033463295ec116188c46a12230e9652 (patch) | |
tree | b85d177dccd3de714ce509f376191203ee695d1c | |
parent | 2a89950ff5fb56a7bf8df67410cdb74d15f9f5ce (diff) |
changes for support
-rw-r--r-- | lazar.rb | 16 |
1 files changed, 13 insertions, 3 deletions
@@ -60,7 +60,8 @@ post '/lazar/?' do training_activities.features.inspect+")" unless training_activities.features and training_activities.features.include?(prediction_feature.uri) lazar = OpenTox::Model::Lazar.new - lazar.min_sim = params[:min_sim] if params[:min_sim] + lazar.min_sim = params[:min_sim] if params[:min_sim] + lazar.nr_hits = true if params[:nr_hits] if prediction_feature.feature_type == "classification" @@ -107,12 +108,21 @@ post '/lazar/?' do lazar.features = training_features.features.sort if prediction_feature.feature_type == "regression" and lazar.feature_calculation_algorithm != "Substructure.match" training_features.data_entries.each do |compound,entry| - lazar.fingerprints[compound] = [] unless lazar.fingerprints[compound] + lazar.fingerprints[compound] = {} unless lazar.fingerprints[compound] entry.keys.each do |feature| if lazar.feature_calculation_algorithm == "Substructure.match" if training_features.features[feature] smarts = training_features.features[feature][OT.smarts] - lazar.fingerprints[compound] << smarts + if nr_hits = true + lazar.fingerprints[compound][smarts] = entry[feature].flatten.first + else + lazar.fingerprints[compound][smarts] = 1 + end + #LOGGER.debug "dv ------------ frequencies --------- feature: '#{feature}'; compound: '#{compound}' smarts: '#{smarts}'; entry.first:'#{entry[feature].flatten.first}" + #unless entry[feature].flatten.first == true + # lazar.frequencies[smarts] = [] unless lazar.frequencies[smarts] + # lazar.frequencies[smarts] << {compound => entry[feature].flatten.first} + #end unless lazar.features.include? smarts lazar.features << smarts lazar.p_values[smarts] = training_features.features[feature][OT.pValue] |