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authorhelma@in-silico.ch <helma@in-silico.ch>2018-10-11 12:13:40 +0200
committerhelma@in-silico.ch <helma@in-silico.ch>2018-10-11 12:13:40 +0200
commitde763211bd2b6451e3a8dc20eb95a3ecf72bef17 (patch)
treee33da702f80d70dfa424cecea0a6495bab0fcfc2 /test
parent8b31acab67e22f30a87c995a94f1ee1e2a3d510f (diff)
initial dataset batch prediction
Diffstat (limited to 'test')
-rw-r--r--test/model-classification.rb12
-rw-r--r--test/setup.rb4
2 files changed, 14 insertions, 2 deletions
diff --git a/test/model-classification.rb b/test/model-classification.rb
index 7751bba..ca6eb27 100644
--- a/test/model-classification.rb
+++ b/test/model-classification.rb
@@ -94,6 +94,18 @@ class LazarClassificationTest < MiniTest::Test
training_dataset.delete
end
+ def test_dataset_prediction
+ training_dataset = Dataset.from_csv_file File.join(DATA_DIR,"hamster_carcinogenicity.csv")
+ model = Model::Lazar.create training_dataset: training_dataset
+ result = model.predict training_dataset
+ assert 3, result.features.size
+ assert 8, result.compounds.size
+ assert_equal ["true"], result.values(result.compounds.first, result.features[0])
+ assert_equal [0.65], result.values(result.compounds.first, result.features[1])
+ assert_equal [0], result.values(result.compounds.first, result.features[2]) # classification returns nil, check if
+ #p prediction_dataset
+ end
+
def test_carcinogenicity_rf_classification
skip "Caret rf may run into a (endless?) loop for some compounds."
dataset = Dataset.from_csv_file "#{DATA_DIR}/multi_cell_call.csv"
diff --git a/test/setup.rb b/test/setup.rb
index c4c04cb..51871a2 100644
--- a/test/setup.rb
+++ b/test/setup.rb
@@ -3,8 +3,8 @@ require 'minitest/autorun'
require_relative '../lib/lazar.rb'
#require 'lazar'
include OpenTox
-#$mongo.database.drop
-#$gridfs = $mongo.database.fs # recreate GridFS indexes
+$mongo.database.drop
+$gridfs = $mongo.database.fs # recreate GridFS indexes
#PhysChem.descriptors
TEST_DIR ||= File.expand_path(File.dirname(__FILE__))
DATA_DIR ||= File.join(TEST_DIR,"data")