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authorChristoph Helma <helma@in-silico.ch>2011-05-23 17:36:35 +0200
committerChristoph Helma <helma@in-silico.ch>2011-05-23 17:36:35 +0200
commita330ad06b524e6d02bb01b3b7a12fb36a4800120 (patch)
treee741b4da62a672de28a38e669639ab9caca8801e
parent833ef87110aeb86c1dc304c2993616390d1e6fe4 (diff)
parentf89b8bb8cae41a814b97340324338a8046ddabf9 (diff)
Merge branch 'feature/new_model_prediction_format' into development
Conflicts: lazar.rb
-rw-r--r--lazar.rb12
1 files changed, 10 insertions, 2 deletions
diff --git a/lazar.rb b/lazar.rb
index 4a7a51a..59ec9ca 100644
--- a/lazar.rb
+++ b/lazar.rb
@@ -1,6 +1,7 @@
require 'rubygems'
require 'opentox-ruby'
require 'test/unit'
+require "./validate-owl.rb"
class Float
def round_to(x)
@@ -24,6 +25,8 @@ class LazarTest < Test::Unit::TestCase
=end
def test_create_regression_model
model_uri = OpenTox::Algorithm::Lazar.new.run({:dataset_uri => @@regression_training_dataset.uri, :subjectid => @@subjectid}).to_s
+ puts model_uri
+ validate_owl model_uri,@@subjectid
lazar = OpenTox::Model::Lazar.find model_uri, @@subjectid
@models << lazar
assert_equal 185, lazar.features.size
@@ -33,6 +36,8 @@ class LazarTest < Test::Unit::TestCase
@predictions << prediction
assert_equal prediction.value(compound).round_to(3),0.2849.round_to(3)
assert_equal prediction.confidence(compound).round_to(3), 0.3223.round_to(3)
+ #assert_equal prediction.value(compound).round_to(4), 0.2847.round_to(4)
+ #assert_equal prediction.confidence(compound).round_to(4), 0.3223.round_to(4)
assert_equal prediction.neighbors(compound).size, 73
end
@@ -40,6 +45,7 @@ class LazarTest < Test::Unit::TestCase
# create model
model_uri = OpenTox::Algorithm::Lazar.new.run({:dataset_uri => @@classification_training_dataset.uri, :subjectid => @@subjectid}).to_s
+ validate_owl model_uri,@@subjectid
lazar = OpenTox::Model::Lazar.find model_uri, @@subjectid
@models << lazar
assert_equal lazar.features.size, 52
@@ -49,6 +55,7 @@ class LazarTest < Test::Unit::TestCase
prediction_uri = lazar.run(:compound_uri => compound.uri, :subjectid => @@subjectid)
prediction = OpenTox::LazarPrediction.find(prediction_uri, @@subjectid)
@predictions << prediction
+ #puts prediction_uri
assert_equal prediction.value(compound), false
assert_equal prediction.confidence(compound).round_to(4), 0.3067.round_to(4)
assert_equal prediction.neighbors(compound).size, 14
@@ -78,7 +85,7 @@ class LazarTest < Test::Unit::TestCase
model_uri = OpenTox::Algorithm::Lazar.new.run({:dataset_uri => @@classification_training_dataset.uri, :subjectid => @@subjectid, :prediction_algorithm => "local_svm_classification"}).to_s
lazar = OpenTox::Model::Lazar.find model_uri, @@subjectid
@models << lazar
- assert_equal lazar.features.size, 53
+ assert_equal lazar.features.size, 52
# single prediction
compound = OpenTox::Compound.from_smiles("c1ccccc1NN")
@@ -100,6 +107,7 @@ class LazarTest < Test::Unit::TestCase
end
+=begin
def test_ambit_classification_model
# create model
@@ -108,6 +116,7 @@ class LazarTest < Test::Unit::TestCase
#model_uri = OpenTox::Algorithm::Lazar.new.run({:dataset_uri => dataset_uri, :prediction_feature => feature_uri}).to_s
#lazar = OpenTox::Model::Lazar.find model_uri
model_uri = OpenTox::Algorithm::Lazar.new.run({:dataset_uri => dataset_uri, :prediction_feature => feature_uri, :subjectid => @@subjectid}).to_s
+ validate_owl model_uri,@@subjectid
lazar = OpenTox::Model::Lazar.find model_uri, @@subjectid
assert_equal lazar.features.size, 6609
#puts "Model: #{lazar.uri}"
@@ -139,7 +148,6 @@ class LazarTest < Test::Unit::TestCase
# dataset prediction
#@lazar.delete(@@subjectid)
end
-=begin
=end
end