diff options
Diffstat (limited to 'lib')
-rw-r--r-- | lib/compound.rb | 1 | ||||
-rw-r--r-- | lib/lazar.rb | 1 | ||||
-rw-r--r-- | lib/physchem.rb | 1 |
3 files changed, 1 insertions, 2 deletions
diff --git a/lib/compound.rb b/lib/compound.rb index 6cb7f78..c2ce5d0 100644 --- a/lib/compound.rb +++ b/lib/compound.rb @@ -22,7 +22,6 @@ module OpenTox # Overwrites standard Mongoid method to create fingerprints before database insertion def self.find_or_create_by params - #PhysChem.descriptors # load descriptor features compound = self.find_or_initialize_by params compound.default_fingerprint_size = compound.fingerprint(DEFAULT_FINGERPRINT).size compound.save diff --git a/lib/lazar.rb b/lib/lazar.rb index 8daaaa1..140bca3 100644 --- a/lib/lazar.rb +++ b/lib/lazar.rb @@ -61,7 +61,6 @@ suppressPackageStartupMessages({ " # OpenTox classes and includes -#CLASSES = ["Feature","Substance::Compound","Substance::Nanoparticle","Dataset","Validation","CrossValidation","LeaveOneOutValidation","RepeatedCrossValidation","Experiment"]# Algorithm and Models are modules CLASSES = ["Feature","Substance","Dataset","LazarPrediction","Validation","CrossValidation","LeaveOneOutValidation","RepeatedCrossValidation","Experiment"]# Algorithm and Models are modules [ # be aware of the require sequence as it affects class/method overwrites diff --git a/lib/physchem.rb b/lib/physchem.rb index f7b880f..86300ba 100644 --- a/lib/physchem.rb +++ b/lib/physchem.rb @@ -131,3 +131,4 @@ module OpenTox end end +OpenTox::PhysChem.descriptors # load descriptor features |