From a0d9f7bf7481b257acbd7d7629558b3251e653f8 Mon Sep 17 00:00:00 2001 From: mguetlein Date: Tue, 28 Oct 2014 08:56:48 +0100 Subject: add fetch, change URI storing in config.rb, add documentation in README --- nch/03_validate_compounds.rb | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) (limited to 'nch/03_validate_compounds.rb') diff --git a/nch/03_validate_compounds.rb b/nch/03_validate_compounds.rb index 1ddb719..304add2 100755 --- a/nch/03_validate_compounds.rb +++ b/nch/03_validate_compounds.rb @@ -37,8 +37,8 @@ DATA.each do |d| File.open("data/03/#{d}_uniq.csv","w").puts "\""+(["InChI"]+@inchis).join("\"\n\"")+"\"" puts @inchis.size.to_s+" uniq compounds in complete-set (written to data/03/#{d}_uniq.csv)" else - raise "complete-set inchis not found in features-set #{@inchis.inspect}" unless @inchis.size==0 - puts "inchis in features-set uniq and all included in complete-set" + raise "complete-set inchis not found in orig-features-set #{@inchis.inspect}" unless @inchis.size==0 + puts "inchis in orig-features-set uniq and all included in complete-set" end end -- cgit v1.2.3