From 36ea2f865014a761be9fe74719f4c88dbaffeb81 Mon Sep 17 00:00:00 2001
From: mguetlein <martin.guetlein@gmail.com>
Date: Mon, 27 Oct 2014 15:48:01 +0100
Subject: inital commit more documentation will be added

---
 nch/config.rb | 95 +++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
 1 file changed, 95 insertions(+)
 create mode 100644 nch/config.rb

(limited to 'nch/config.rb')

diff --git a/nch/config.rb b/nch/config.rb
new file mode 100644
index 0000000..3151c5a
--- /dev/null
+++ b/nch/config.rb
@@ -0,0 +1,95 @@
+
+DATA = ["LOAEL-mol", "LOAEL-mg","MOU"]
+
+def info(d)
+  puts d.uri
+  if d.is_a?(OpenTox::Dataset)
+    puts "#{d.compounds.size} compounds"
+    puts "#{d.features.size} features"
+#    puts d.features.collect{|f| "#{f.title} : #{f[RDF::type]}"}.inspect
+  end
+end
+
+def plz_add(msg)
+  $stderr.puts "please add to config.rb: #{msg}"
+  abort
+end
+
+def dataset_uri(d)
+  case d
+  when "LOAEL-mol"
+    "http://localhost:8083/dataset/3da90c55-0388-42a0-8ada-978abe4a515c"
+  when "LOAEL-mg"
+    "http://localhost:8083/dataset/4f3b9de4-0494-4339-8ebd-e6c6c1984a23"
+  when "MOU"
+    "http://localhost:8083/dataset/f0af478a-51e6-41a5-adb2-d1a9bedf8981"
+  else
+    dataset = OpenTox::Dataset.new	
+    dataset.upload File.join("data/02/#{d}_endpoint.csv")
+    info(dataset)
+    plz_add "dataset_uri #{dataset.uri} and prediction_feature #{dataset.features.first.uri}"
+  end
+end
+
+def prediction_feature(d)
+  case d
+  when "LOAEL-mol"
+    "http://localhost:8084/feature/2a74d78d-5b3d-438c-a1e5-6cfb16bd9354"
+  when "LOAEL-mg"
+    "http://localhost:8084/feature/ba5b0f78-36bc-4ac3-8020-9d8b2ca3bd13"
+  when "MOU"
+    "http://localhost:8084/feature/432f18c5-ff8f-4ff2-a1cc-cbda1c43cff9"
+  else
+    plz_add "prediction_feature by uploading dataset"
+  end
+end
+
+def test_dataset_uri(d)
+  if d=="MOU"
+    "http://localhost:8083/dataset/a5c39a5d-8747-495a-8d30-6ee9abdd5f3b"
+  else 
+    pred_feat = prediction_feature(d)
+    dataset = OpenTox::Dataset.new	
+    dataset.upload File.join("data/#{d}_test.csv")
+    info(dataset)
+    raise "uri of test dataset feature != prediction_feature" unless dataset.features.first.uri==pred_feat
+    plz_add "test_datsaet_uri #{dataset.uri}"
+  end
+end
+
+def new_feature_dataset_uri(d)
+  case d
+  when /LOAEL-mol|LOAEL-mg/
+    "http://localhost:8083/dataset/7de04de4-41ce-4528-97c2-fd92fbb4d0b8"
+  when "MOU"
+    "http://localhost:8083/dataset/8d324c7d-e6fe-4807-b2f8-e851750b959d"
+  else 
+    u_dataset = OpenTox::Dataset.new 
+    u_dataset.upload File.join("data/03/#{d}_uniq.csv")
+    puts "Unique Dataset: "+u_dataset.uri
+    info(u_dataset)
+    feature_names =  File.open("data/04/#{d}.feature_names","r").read.chomp.split(",")
+    puts "Features: "+feature_names.inspect
+    new_feat_uri = wait_for_task(OpenTox::RestClientWrapper.post("http://localhost:8081/algorithm/descriptor/physchem",{:dataset_uri => u_dataset.uri, :descriptors => feature_names}))
+    f_dataset = OpenTox::Dataset.new new_feat_uri
+    info(f_dataset)
+    plz_add "feature_dataset_uri #{new_feat_uri}"
+  end
+end
+
+def orig_feature_dataset_uri(d)
+  case d
+  when /LOAEL-mol|LOAEL-mg/
+    "http://localhost:8083/dataset/e9016641-dddb-434f-bb05-63d80a37679a"
+  when "MOU"
+    "http://localhost:8083/dataset/cc651943-886c-4290-b346-41d1c951476a"
+  else
+    f = OpenTox::Dataset.new
+    f.upload File.join("data/02/#{d}_orig-features.csv")
+    info(f)
+    plz_add "orig_feature_dataset_uri #{f.uri}"
+  end
+end
+
+
+
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