From 75b70425ae8699464a18529eb7bf35a216c06243 Mon Sep 17 00:00:00 2001 From: Christoph Helma Date: Thu, 21 Apr 2016 09:56:12 +0200 Subject: AMBIT import expanded --- lib/classification.rb | 1 + lib/nanoparticle.rb | 3 +++ 2 files changed, 4 insertions(+) diff --git a/lib/classification.rb b/lib/classification.rb index 4a17546..0de8726 100644 --- a/lib/classification.rb +++ b/lib/classification.rb @@ -8,6 +8,7 @@ module OpenTox weighted_sum = {} sim_sum = 0.0 confidence = 0.0 + # see ~/src/pubchem-read-across/application.rb:353 neighbors.each do |row| sim = row["tanimoto"] row["toxicities"][params[:prediction_feature_id].to_s].each do |act| diff --git a/lib/nanoparticle.rb b/lib/nanoparticle.rb index 295b6c0..b934bb3 100644 --- a/lib/nanoparticle.rb +++ b/lib/nanoparticle.rb @@ -48,6 +48,9 @@ module OpenTox elsif v.keys.size == 3 and v["loValue"] and v["loQualifier"] == "" and v["upQualifier"] == "" add_feature feature, v["loValue"] warn "loQualifier and upQualifier are empty." + elsif v.keys.size == 4 and v["loValue"] and v["loQualifier"].nil? and v["upQualifier"].nil? + add_feature feature, v["loValue"] + warn "loQualifier and upQualifier are empty." elsif v.size == 4 and v["loQualifier"] and v["upQualifier"] and v["loValue"] and v["upValue"] add_feature feature, [v["loValue"],v["upValue"]].mean warn "Using mean value of range #{v["loValue"]} - #{v["upValue"]} for '#{feature.name}'. Original data is not available." -- cgit v1.2.3