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authorChristoph Helma <helma@in-silico.ch>2016-03-15 18:46:34 +0100
committerChristoph Helma <helma@in-silico.ch>2016-03-15 18:46:34 +0100
commitabc3526e318a2bfa24dfe033d8879e7657c2ae5c (patch)
treeb11500952085d6a771f845431258c7befae5fd04 /lib/physchem.rb
parent7c3bd90c26dfeea2db3cf74a1cefc23d8dece7c0 (diff)
single tests pass
Diffstat (limited to 'lib/physchem.rb')
-rw-r--r--lib/physchem.rb6
1 files changed, 0 insertions, 6 deletions
diff --git a/lib/physchem.rb b/lib/physchem.rb
index 067cd59..f7b880f 100644
--- a/lib/physchem.rb
+++ b/lib/physchem.rb
@@ -37,15 +37,9 @@ module OpenTox
DESCRIPTORS = OBDESCRIPTORS.merge(CDKDESCRIPTORS.merge(JOELIBDESCRIPTORS))
- DESCRIPTORS.each do |name,description|
- lib,desc = name.split('.',2)
- self.find_or_create_by(:name => name, :library => lib, :descriptor => desc, :description => description, :measured => false, :calculated => true, :numeric => true, :nominal => false)
- end
-
require_relative "unique_descriptors.rb"
def self.descriptors desc=DESCRIPTORS
- # TODO create PhysChem features @startup
desc.collect do |name,description|
lib,desc = name.split('.',2)
self.find_or_create_by(:name => name, :library => lib, :descriptor => desc, :description => description, :measured => false, :calculated => true, :numeric => true, :nominal => false)