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authorgebele <gebele@in-silico.ch>2013-09-25 09:38:43 +0200
committergebele <gebele@in-silico.ch>2013-09-25 09:38:43 +0200
commit48c788e239fb26590bcece4125db6be7af360278 (patch)
tree1f44f544bd2f69546070671183e0871fcfd4ec35
parent517cc4a04beba76137c171030a40153f1ab34b66 (diff)
added begin/end blocks instead single comments
-rw-r--r--test/lazar-models.rb181
1 files changed, 91 insertions, 90 deletions
diff --git a/test/lazar-models.rb b/test/lazar-models.rb
index c58964b..76fe687 100644
--- a/test/lazar-models.rb
+++ b/test/lazar-models.rb
@@ -4,20 +4,21 @@ class LazarModelTest < MiniTest::Test
MODELS = []
# test hamster
-# MODELS << {
-# :titel => "hamster_carcinogenicity",
-# :file => File.join(DATA_DIR,"hamster_carcinogenicity.csv"),
-# :type => "classification",
-# :feature_generation_uri => File.join($algorithm[:uri],"fminer","bbrc"),
-# :min_frequency => 2,
-# :test_values => {
-# :feature_size => 54,
-# :first_feature => "[#6&A]-[#6&A]-[#6&A]=[#6&A]",
-# :prediction1 => [OpenTox::Compound.from_inchi("InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H").uri,"false",0.25281385281385277],
-# :prediction2 => [OpenTox::Compound.from_smiles("c1ccccc1NN").uri,"false",0.3639589577089577]
-# }
-# }
-
+=begin
+ MODELS << {
+ :titel => "hamster_carcinogenicity",
+ :file => File.join(DATA_DIR,"hamster_carcinogenicity.csv"),
+ :type => "classification",
+ :feature_generation_uri => File.join($algorithm[:uri],"fminer","bbrc"),
+ :min_frequency => 2,
+ :test_values => {
+ :feature_size => 54,
+ :first_feature => "[#6&A]-[#6&A]-[#6&A]=[#6&A]",
+ :prediction1 => [OpenTox::Compound.from_inchi("InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H").uri,"false",0.25281385281385277],
+ :prediction2 => [OpenTox::Compound.from_smiles("c1ccccc1NN").uri,"false",0.3639589577089577]
+ }
+ }
+=end
# Hamster
MODELS << {
:titel => "DSSTox_Carcinogenic_Potency_DBS_v5d_Hamster",
@@ -32,84 +33,84 @@ class LazarModelTest < MiniTest::Test
:prediction2 => [OpenTox::Compound.from_smiles("c1ccccc1NN").uri,"inactive",0.34980297480297484]
}
}
+=begin
+ # Mutagenicity
+ MODELS << {
+ :titel => "DSSTox_Carcinogenic_Potency_DBS_v5d_Mutagenicity",
+ :file => File.join(DATA_DIR,"CPDBAS_v5d_cleaned","DSSTox_Carcinogenic_Potency_DBS_Mutagenicity_no_duplicates.csv"),
+ :type => "classification",
+ :feature_generation_uri => File.join($algorithm[:uri],"fminer","bbrc"),
+ :min_frequency => 8,
+ :test_values => {
+ :feature_size => 58,
+ :first_feature => '[#6&A]-[#6&A]-[#6&A]=[#6&A]',
+ :prediction1 => [OpenTox::Compound.from_inchi("InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H").uri,"inactive",0.23658008658008656],
+ :prediction2 => [OpenTox::Compound.from_smiles("c1ccccc1NN").uri,"inactive",0.34980297480297484]
+ }
+ }
+
+ # Mouse
+ MODELS << {
+ :titel => "DSSTox_Carcinogenic_Potency_DBS_v5d_Mouse",
+ :file => File.join(DATA_DIR,"CPDBAS_v5d_cleaned","DSSTox_Carcinogenic_Potency_DBS_Mouse.csv"),
+ :type => "classification",
+ :feature_generation_uri => File.join($algorithm[:uri],"fminer","bbrc"),
+ :min_frequency => 10,
+ :test_values => {
+ :feature_size => 58,
+ :first_feature => '[#6&A]-[#6&A]-[#6&A]=[#6&A]',
+ :prediction1 => [OpenTox::Compound.from_inchi("InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H").uri,"inactive",0.23658008658008656],
+ :prediction2 => [OpenTox::Compound.from_smiles("c1ccccc1NN").uri,"inactive",0.34980297480297484]
+ }
+ }
+
+ # Rat
+ MODELS << {
+ :titel => "DSSTox_Carcinogenic_Potency_DBS_v5d_Rat",
+ :file => File.join(DATA_DIR,"CPDBAS_v5d_cleaned","DSSTox_Carcinogenic_Potency_DBS_Rat.csv"),
+ :type => "classification",
+ :feature_generation_uri => File.join($algorithm[:uri],"fminer","bbrc"),
+ :min_frequency => 12,
+ :test_values => {
+ :feature_size => 58,
+ :first_feature => '[#6&A]-[#6&A]-[#6&A]=[#6&A]',
+ :prediction1 => [OpenTox::Compound.from_inchi("InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H").uri,"inactive",0.23658008658008656],
+ :prediction2 => [OpenTox::Compound.from_smiles("c1ccccc1NN").uri,"inactive",0.34980297480297484]
+ }
+ }
-# # Mutagenicity
-# MODELS << {
-# :titel => "DSSTox_Carcinogenic_Potency_DBS_v5d_Mutagenicity",
-# :file => File.join(DATA_DIR,"CPDBAS_v5d_cleaned","DSSTox_Carcinogenic_Potency_DBS_Mutagenicity_no_duplicates.csv"),
-# :type => "classification",
-# :feature_generation_uri => File.join($algorithm[:uri],"fminer","bbrc"),
-# :min_frequency => 8,
-# :test_values => {
-# :feature_size => 58,
-# :first_feature => '[#6&A]-[#6&A]-[#6&A]=[#6&A]',
-# :prediction1 => [OpenTox::Compound.from_inchi("InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H").uri,"inactive",0.23658008658008656],
-# :prediction2 => [OpenTox::Compound.from_smiles("c1ccccc1NN").uri,"inactive",0.34980297480297484]
-# }
-# }
-#
-# # Mouse
-# MODELS << {
-# :titel => "DSSTox_Carcinogenic_Potency_DBS_v5d_Mouse",
-# :file => File.join(DATA_DIR,"CPDBAS_v5d_cleaned","DSSTox_Carcinogenic_Potency_DBS_Mouse.csv"),
-# :type => "classification",
-# :feature_generation_uri => File.join($algorithm[:uri],"fminer","bbrc"),
-# :min_frequency => 10,
-# :test_values => {
-# :feature_size => 58,
-# :first_feature => '[#6&A]-[#6&A]-[#6&A]=[#6&A]',
-# :prediction1 => [OpenTox::Compound.from_inchi("InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H").uri,"inactive",0.23658008658008656],
-# :prediction2 => [OpenTox::Compound.from_smiles("c1ccccc1NN").uri,"inactive",0.34980297480297484]
-# }
-# }
-#
-# # Rat
-# MODELS << {
-# :titel => "DSSTox_Carcinogenic_Potency_DBS_v5d_Rat",
-# :file => File.join(DATA_DIR,"CPDBAS_v5d_cleaned","DSSTox_Carcinogenic_Potency_DBS_Rat.csv"),
-# :type => "classification",
-# :feature_generation_uri => File.join($algorithm[:uri],"fminer","bbrc"),
-# :min_frequency => 12,
-# :test_values => {
-# :feature_size => 58,
-# :first_feature => '[#6&A]-[#6&A]-[#6&A]=[#6&A]',
-# :prediction1 => [OpenTox::Compound.from_inchi("InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H").uri,"inactive",0.23658008658008656],
-# :prediction2 => [OpenTox::Compound.from_smiles("c1ccccc1NN").uri,"inactive",0.34980297480297484]
-# }
-# }
-#
-#
-# # MultiCellCall
-# MODELS << {
-# :titel => "DSSTox_Carcinogenic_Potency_DBS_v5d_MultiCellCall",
-# :file => File.join(DATA_DIR,"CPDBAS_v5d_cleaned","DSSTox_Carcinogenic_Potency_DBS_MultiCellCall_no_duplicates.csv"),
-# :type => "classification",
-# :feature_generation_uri => File.join($algorithm[:uri],"fminer","bbrc"),
-# :min_frequency => 11,
-# :test_values => {
-# :feature_size => 58,
-# :first_feature => '[#6&A]-[#6&A]-[#6&A]=[#6&A]',
-# :prediction1 => [OpenTox::Compound.from_inchi("InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H").uri,"inactive",0.23658008658008656],
-# :prediction2 => [OpenTox::Compound.from_smiles("c1ccccc1NN").uri,"inactive",0.34980297480297484]
-# }
-# }
-#
-#
-# # SingleCellCall
-# MODELS << {
-# :titel => "DSSTox_Carcinogenic_Potency_DBS_v5d_SingleCellCall",
-# :file => File.join(DATA_DIR,"CPDBAS_v5d_cleaned","DSSTox_Carcinogenic_Potency_DBS_SingleCellCall.csv"),
-# :type => "classification",
-# :feature_generation_uri => File.join($algorithm[:uri],"fminer","bbrc"),
-# :min_frequency => 15,
-# :test_values => {
-# :feature_size => 58,
-# :first_feature => '[#6&A]-[#6&A]-[#6&A]=[#6&A]',
-# :prediction1 => [OpenTox::Compound.from_inchi("InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H").uri,"inactive",0.23658008658008656],
-# :prediction2 => [OpenTox::Compound.from_smiles("c1ccccc1NN").uri,"inactive",0.34980297480297484]
-# }
-# }
+ # MultiCellCall
+ MODELS << {
+ :titel => "DSSTox_Carcinogenic_Potency_DBS_v5d_MultiCellCall",
+ :file => File.join(DATA_DIR,"CPDBAS_v5d_cleaned","DSSTox_Carcinogenic_Potency_DBS_MultiCellCall_no_duplicates.csv"),
+ :type => "classification",
+ :feature_generation_uri => File.join($algorithm[:uri],"fminer","bbrc"),
+ :min_frequency => 11,
+ :test_values => {
+ :feature_size => 58,
+ :first_feature => '[#6&A]-[#6&A]-[#6&A]=[#6&A]',
+ :prediction1 => [OpenTox::Compound.from_inchi("InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H").uri,"inactive",0.23658008658008656],
+ :prediction2 => [OpenTox::Compound.from_smiles("c1ccccc1NN").uri,"inactive",0.34980297480297484]
+ }
+ }
+
+
+ # SingleCellCall
+ MODELS << {
+ :titel => "DSSTox_Carcinogenic_Potency_DBS_v5d_SingleCellCall",
+ :file => File.join(DATA_DIR,"CPDBAS_v5d_cleaned","DSSTox_Carcinogenic_Potency_DBS_SingleCellCall.csv"),
+ :type => "classification",
+ :feature_generation_uri => File.join($algorithm[:uri],"fminer","bbrc"),
+ :min_frequency => 15,
+ :test_values => {
+ :feature_size => 58,
+ :first_feature => '[#6&A]-[#6&A]-[#6&A]=[#6&A]',
+ :prediction1 => [OpenTox::Compound.from_inchi("InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H").uri,"inactive",0.23658008658008656],
+ :prediction2 => [OpenTox::Compound.from_smiles("c1ccccc1NN").uri,"inactive",0.34980297480297484]
+ }
+ }
+=end