diff options
Diffstat (limited to 'lib/descriptor.rb')
| -rw-r--r-- | lib/descriptor.rb | 3 |
1 files changed, 2 insertions, 1 deletions
diff --git a/lib/descriptor.rb b/lib/descriptor.rb index 5ae0ef2..9733bde 100644 --- a/lib/descriptor.rb +++ b/lib/descriptor.rb @@ -16,7 +16,7 @@ module OpenTox LOG4J_JAR = File.join(JAVA_DIR,"log4j.jar") JMOL_JAR = File.join(JAVA_DIR,"Jmol.jar") - obexclude = ["cansmi","cansmiNS","formula","InChI","InChIKey","s","smarts","title"] + obexclude = ["cansmi","cansmiNS","formula","InChI","InChIKey","s","smarts","title","L5"] OBDESCRIPTORS = Hash[OpenBabel::OBDescriptor.list_as_string("descriptors").split("\n").collect do |d| name,description = d.split(/\s+/,2) ["Openbabel."+name,description] unless obexclude.include? name @@ -107,6 +107,7 @@ module OpenTox des[lib] << descriptor end des.each do |lib,descriptors| + p lib, descriptors send(lib, descriptors) end serialize |