From f5fc5bb258f51cfce6a4d771afdca14883475215 Mon Sep 17 00:00:00 2001
From: Christoph Helma <helma@in-silico.ch>
Date: Mon, 20 Aug 2012 14:32:27 +0200
Subject: new compound serialisation methods

---
 VERSION        | 2 +-
 application.rb | 4 ++--
 2 files changed, 3 insertions(+), 3 deletions(-)

diff --git a/VERSION b/VERSION
index 3eefcb9..8c5ba87 100644
--- a/VERSION
+++ b/VERSION
@@ -1 +1 @@
-1.0.0
+5.0.0pre1
diff --git a/application.rb b/application.rb
index 494f050..edd7320 100644
--- a/application.rb
+++ b/application.rb
@@ -287,7 +287,7 @@ module OpenTox
                 } ORDER BY ?i"
             values = FourStore.query(sparql,accept).split("\n")
             # Fill up trailing empty cells
-            table << [compound.to_smiles] + values.fill("",values.size,features.size-values.size)
+            table << [compound.smiles] + values.fill("",values.size,features.size-values.size)
           end
         else
           sparql = "SELECT DISTINCT ?s FROM <#{@uri}> WHERE {?s <#{RDF.type}> <#{RDF::OT.Feature}>}"
@@ -309,7 +309,7 @@ module OpenTox
                 data_entries[i] << value
               end
             end
-            data_entries.each{|data_entry| table << [compound.to_smiles] + data_entry}
+            data_entries.each{|data_entry| table << [compound.smiles] + data_entry}
           end
         end
         table
-- 
cgit v1.2.3