summaryrefslogtreecommitdiff
path: root/test/validation-nanoparticle.rb
diff options
context:
space:
mode:
authorChristoph Helma <helma@in-silico.ch>2016-10-13 19:48:21 +0200
committerChristoph Helma <helma@in-silico.ch>2016-10-13 19:48:21 +0200
commit2dc66aef3b7932105868ee8c7d32ad975e142d1b (patch)
treed7c7e4bec5e931eda0ccf04a343f0ca3015e3b60 /test/validation-nanoparticle.rb
parent160e75e696452ac61e651664ac56d16ce1c9c4b6 (diff)
compound tests fixed
Diffstat (limited to 'test/validation-nanoparticle.rb')
-rw-r--r--test/validation-nanoparticle.rb21
1 files changed, 14 insertions, 7 deletions
diff --git a/test/validation-nanoparticle.rb b/test/validation-nanoparticle.rb
index 3692515..c5618e8 100644
--- a/test/validation-nanoparticle.rb
+++ b/test/validation-nanoparticle.rb
@@ -1,6 +1,6 @@
require_relative "setup.rb"
-class NanoparticleTest < MiniTest::Test
+class NanoparticleValidationTest < MiniTest::Test
include OpenTox::Validation
def setup
@@ -24,8 +24,11 @@ class NanoparticleTest < MiniTest::Test
def test_validate_pls_nanoparticle_model
algorithms = {
- :descriptors => { :types => ["P-CHEM"] },
- :prediction => {:parameters => 'pls' },
+ :descriptors => {
+ :method => "properties",
+ :categories => ["P-CHEM"]
+ },
+ :prediction => {:method => 'Algorithm::Caret.pls' },
}
model = Model::Lazar.create prediction_feature: @prediction_feature, training_dataset: @training_dataset, algorithms: algorithms
assert_equal "pls", model.algorithms[:prediction][:parameters]
@@ -39,12 +42,15 @@ class NanoparticleTest < MiniTest::Test
def test_validate_proteomics_pls_nanoparticle_model
algorithms = {
- :descriptors => { :types => ["Proteomics"] },
- :prediction => { :parameters => 'pls' }
+ :descriptors => {
+ :method => "properties",
+ :categories => ["Proteomics"]
+ },
+ :prediction => {:method => 'Algorithm::Caret.pls' },
}
model = Model::Lazar.create prediction_feature: @prediction_feature, training_dataset: @training_dataset, algorithms: algorithms
assert_equal "pls", model.algorithms[:prediction][:parameters]
- assert_equal "Algorithm::Caret.regression", model.algorithms[:prediction][:method]
+ assert_equal "Algorithm::Caret.pls", model.algorithms[:prediction][:method]
cv = CrossValidation.create model
p cv.rmse
p cv.r_squared
@@ -55,7 +61,8 @@ class NanoparticleTest < MiniTest::Test
def test_validate_all_default_nanoparticle_model
algorithms = {
:descriptors => {
- :types => ["Proteomics","P-CHEM"]
+ :method => "properties",
+ :categories => ["Proteomics","P-CHEM"]
},
}
model = Model::Lazar.create prediction_feature: @prediction_feature, training_dataset: @training_dataset, algorithms: algorithms