From f93333d7f5df30875eae9135f4b5e65a98d923b6 Mon Sep 17 00:00:00 2001 From: Christoph Helma Date: Fri, 31 Jul 2015 19:25:13 +0200 Subject: intermediary commit --- lib/compound.rb | 4 ++++ lib/dataset.rb | 6 +++++- 2 files changed, 9 insertions(+), 1 deletion(-) diff --git a/lib/compound.rb b/lib/compound.rb index 4d36915..0c27553 100644 --- a/lib/compound.rb +++ b/lib/compound.rb @@ -1,3 +1,7 @@ +# TODO: check +# *** Open Babel Error in ParseFile +# Could not find contribution data file. +# 3d creation?? CACTUS_URI="http://cactus.nci.nih.gov/chemical/structure/" require 'openbabel' require "base64" diff --git a/lib/dataset.rb b/lib/dataset.rb index 92ef7b5..38e195b 100644 --- a/lib/dataset.rb +++ b/lib/dataset.rb @@ -7,7 +7,11 @@ module OpenTox field :creator, type: String end - class FminerDataset < Dataset + class DescriptorDataset < Dataset + field :feature_calculation_algorithm, type: String + end + + class FminerDataset < DescriptorDataset field :training_algorithm, type: String field :training_dataset_id, type: BSON::ObjectId field :training_feature_id, type: BSON::ObjectId -- cgit v1.2.3