diff options
| author | Christoph Helma <helma@in-silico.ch> | 2013-03-26 10:52:55 +0100 |
|---|---|---|
| committer | Christoph Helma <helma@in-silico.ch> | 2013-03-26 10:52:55 +0100 |
| commit | ce7216c6da3767e3e55429eaa0b55c367939ee38 (patch) | |
| tree | 20889a1f3d404984272c13054f9f45485a1ca4c5 /compound.rb | |
| parent | bb35f26cc0e1bc60303465f991cde2ac01a54b38 (diff) | |
code cleanup and refactoring.
Diffstat (limited to 'compound.rb')
| -rw-r--r-- | compound.rb | 6 |
1 files changed, 3 insertions, 3 deletions
diff --git a/compound.rb b/compound.rb index cb194ff..3373737 100644 --- a/compound.rb +++ b/compound.rb @@ -11,7 +11,7 @@ module OpenTox # compound = OpenTox::Compound.from_smiles("c1ccccc1") # @param [String] smiles Smiles string # @return [OpenTox::Compound] Compound - def self.from_smiles service_uri, smiles, subjectid=nil + def self.from_smiles smiles, subjectid=nil inchi = obconversion(smiles,'smi','inchi') compound = Compound.new(File.join service_uri, inchi) compound.inchi = inchi @@ -22,7 +22,7 @@ module OpenTox # Create a compound from inchi string # @param [String] smiles InChI string # @return [OpenTox::Compound] Compound - def self.from_inchi service_uri, inchi, subjectid=nil + def self.from_inchi inchi, subjectid=nil compound = Compound.new(File.join service_uri, inchi) compound.inchi = inchi compound @@ -31,7 +31,7 @@ module OpenTox # Create a compound from sdf string # @param [String] smiles SDF string # @return [OpenTox::Compound] Compound - def self.from_sdf service_uri, sdf, subjectid=nil + def self.from_sdf sdf, subjectid=nil inchi = obconversion(sdf,'sdf','inchi') compound = Compound.new(File.join service_uri, inchi) compound.inchi = inchi |