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require 'rubygems'
require 'opentox-ruby'
require 'yaml'
@subjectid = nil
def check_ds(t_ds_uri, f_ds_uri)
puts t_ds_uri
puts f_ds_uri
regression_training_dataset = OpenTox::Dataset.find(t_ds_uri, @subjectid)
regression_feature_dataset = OpenTox::Dataset.find(f_ds_uri, @subjectid)
train_ds = regression_training_dataset.data_entries.keys
train_cmds = regression_training_dataset.compounds
feature_ds = regression_feature_dataset.data_entries.keys
feature_cmds = regression_feature_dataset.compounds
puts "----- Check activity inchi -----"
match=0
mismatch=0
train_ds.each { |i|
if feature_ds.include?(i)
match = match + 1
else
mismatch = mismatch + 1
end
}
if mismatch > 0
puts "NOT all training compounds represented in feature dataset!!!" unless mismatch > 0
puts "match: #{match}; and mismatch: !!!!!#{mismatch}!!!!!"
else
puts "All training compounds represented in feature dataset." unless mismatch > 0
puts "match: #{match}; mismatch: #{mismatch}"
puts "OK!!!"
end
train_ds.sort!
feature_ds.sort!
if train_ds == feature_ds
puts "train_ds == feature_ds"
else
a = train_ds - feature_ds
#puts "d: '#{a}'"
puts "train_ds: " + train_ds.size.to_s + "; feature_ds: "+ feature_ds.size.to_s
puts "train_ds =NOT feature_ds"
end
puts "----- Check compound inchi -----"
match=0
mismatch=0
train_cmds.each { |i|
if feature_cmds.include?(i)
match = match + 1
else
mismatch = mismatch + 1
end
}
if mismatch > 0
puts "NOT all training compounds represented in feature dataset!!!" unless mismatch > 0
puts "match: #{match}; and mismatch: !!!!!#{mismatch}!!!!!"
else
puts "All training compounds represented in feature dataset." unless mismatch > 0
puts "match: #{match}; mismatch: #{mismatch}"
puts "OK!!!"
end
feature_cmds.sort!
train_cmds.sort!
if train_cmds == feature_cmds
puts "train_cmds == feature_cmds"
else
b = train_cmds - feature_cmds
#puts "d: '#{b}'"
puts "train_cmds: " + train_cmds.size.to_s + "; feature_cmds: " + feature_cmds.size.to_s
puts "train_cmds =NOT feature_cmds"
end
puts
end
ds = YAML::load_file("../datasets.yaml")
ds.keys.each { |dataset|
ds[dataset].keys.each { |pc|
puts pc
check_ds(ds[dataset]["dataset"], ds[dataset][pc])
}
}
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