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| author | Christoph Helma <helma@in-silico.ch> | 2016-04-21 09:56:12 +0200 |
|---|---|---|
| committer | Christoph Helma <helma@in-silico.ch> | 2016-04-21 09:56:12 +0200 |
| commit | 75b70425ae8699464a18529eb7bf35a216c06243 (patch) | |
| tree | 663f01e6ea83d4ae566221cbaed99935452e496c | |
| parent | 4662e845c12e3e623ec9bec208c42cd4b1886047 (diff) | |
AMBIT import expanded
| -rw-r--r-- | lib/classification.rb | 1 | ||||
| -rw-r--r-- | lib/nanoparticle.rb | 3 |
2 files changed, 4 insertions, 0 deletions
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." |