diff options
author | gebele <gebele@in-silico.ch> | 2013-09-25 09:38:43 +0200 |
---|---|---|
committer | gebele <gebele@in-silico.ch> | 2013-09-25 09:38:43 +0200 |
commit | 48c788e239fb26590bcece4125db6be7af360278 (patch) | |
tree | 1f44f544bd2f69546070671183e0871fcfd4ec35 | |
parent | 517cc4a04beba76137c171030a40153f1ab34b66 (diff) |
added begin/end blocks instead single comments
-rw-r--r-- | test/lazar-models.rb | 181 |
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 |