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authorChristoph Helma <helma@in-silico.de>2009-11-23 18:17:37 +0100
committerChristoph Helma <helma@in-silico.de>2009-11-23 18:17:37 +0100
commitadfcc9d572a2122b1b030dc04b3abf46007fb3f7 (patch)
tree6c0909cd433209c9e7b5ee0612814ce8cd8192b7 /lib/compound.rb
parent7d6ae04f8554e3aadfa9ae490445fe2a71a3307e (diff)
RDF support added
Diffstat (limited to 'lib/compound.rb')
-rw-r--r--lib/compound.rb6
1 files changed, 3 insertions, 3 deletions
diff --git a/lib/compound.rb b/lib/compound.rb
index c4ba8d9..416acab 100644
--- a/lib/compound.rb
+++ b/lib/compound.rb
@@ -15,7 +15,7 @@ module OpenTox
@inchi = params[:inchi]
@uri = File.join(@@config[:services]["opentox-compound"],URI.escape(@inchi))
elsif params[:name]
- @inchi = RestClient.get "#{@@cactus_uri}#{params[:name]}/stdinchi"
+ @inchi = RestClient.get("#{@@cactus_uri}#{params[:name]}/stdinchi").chomp
@uri = File.join(@@config[:services]["opentox-compound"],URI.escape(@inchi))
elsif params[:uri]
@inchi = params[:uri].sub(/^.*InChI/, 'InChI')
@@ -44,8 +44,8 @@ module OpenTox
end
# Match an array of smarts features, returns matching features
- def match(smarts_dataset)
- smarts_dataset.all_features.collect{ |uri| uri if self.match?(Feature.new(:uri => uri).name) }.compact
+ def match(smarts_array)
+ smarts_array.collect{|s| s if match?(s)}.compact
end
def smiles2inchi(smiles)