From e718cf76f32fb29d6c7c3732ec82f35b0da49122 Mon Sep 17 00:00:00 2001 From: "helma@in-silico.ch" Date: Fri, 5 Oct 2018 17:06:46 +0200 Subject: sdf import, csv files with id column --- test/setup.rb | 6 +++--- 1 file changed, 3 insertions(+), 3 deletions(-) (limited to 'test/setup.rb') diff --git a/test/setup.rb b/test/setup.rb index 4a11aa0..c4c04cb 100644 --- a/test/setup.rb +++ b/test/setup.rb @@ -5,8 +5,8 @@ require_relative '../lib/lazar.rb' include OpenTox #$mongo.database.drop #$gridfs = $mongo.database.fs # recreate GridFS indexes -PhysChem.descriptors +#PhysChem.descriptors TEST_DIR ||= File.expand_path(File.dirname(__FILE__)) DATA_DIR ||= File.join(TEST_DIR,"data") -training_dataset = Dataset.where(:name => "Protein Corona Fingerprinting Predicts the Cellular Interaction of Gold and Silver Nanoparticles").first -Import::Enanomapper.import unless training_dataset +#training_dataset = Dataset.where(:name => "Protein Corona Fingerprinting Predicts the Cellular Interaction of Gold and Silver Nanoparticles").first +#Import::Enanomapper.import unless training_dataset -- cgit v1.2.3 From de763211bd2b6451e3a8dc20eb95a3ecf72bef17 Mon Sep 17 00:00:00 2001 From: "helma@in-silico.ch" Date: Thu, 11 Oct 2018 12:13:40 +0200 Subject: initial dataset batch prediction --- test/setup.rb | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) (limited to 'test/setup.rb') diff --git a/test/setup.rb b/test/setup.rb index c4c04cb..51871a2 100644 --- a/test/setup.rb +++ b/test/setup.rb @@ -3,8 +3,8 @@ require 'minitest/autorun' require_relative '../lib/lazar.rb' #require 'lazar' include OpenTox -#$mongo.database.drop -#$gridfs = $mongo.database.fs # recreate GridFS indexes +$mongo.database.drop +$gridfs = $mongo.database.fs # recreate GridFS indexes #PhysChem.descriptors TEST_DIR ||= File.expand_path(File.dirname(__FILE__)) DATA_DIR ||= File.join(TEST_DIR,"data") -- cgit v1.2.3 From 9d17895ab9e8cd31e0f32e8e622e13612ea5ff77 Mon Sep 17 00:00:00 2001 From: "helma@in-silico.ch" Date: Fri, 12 Oct 2018 21:58:36 +0200 Subject: validation statistic fixes --- test/setup.rb | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) (limited to 'test/setup.rb') diff --git a/test/setup.rb b/test/setup.rb index 51871a2..c4c04cb 100644 --- a/test/setup.rb +++ b/test/setup.rb @@ -3,8 +3,8 @@ require 'minitest/autorun' require_relative '../lib/lazar.rb' #require 'lazar' include OpenTox -$mongo.database.drop -$gridfs = $mongo.database.fs # recreate GridFS indexes +#$mongo.database.drop +#$gridfs = $mongo.database.fs # recreate GridFS indexes #PhysChem.descriptors TEST_DIR ||= File.expand_path(File.dirname(__FILE__)) DATA_DIR ||= File.join(TEST_DIR,"data") -- cgit v1.2.3