From 13313d9fa8f5e4b29bbbc0ddeb0e455765b0774d Mon Sep 17 00:00:00 2001 From: opentox Date: Wed, 15 Jun 2011 18:50:47 +0200 Subject: cactvs name lookup disabled --- application.rb | 2 +- views/predict.haml | 3 ++- 2 files changed, 3 insertions(+), 2 deletions(-) diff --git a/application.rb b/application.rb index 60d50cd..8d96dbe 100644 --- a/application.rb +++ b/application.rb @@ -338,7 +338,7 @@ post '/predict/?' do # post chemical name to model redirect url_for('/predict') end begin - @compound = OpenTox::Compound.from_name(params[:identifier]) + @compound = OpenTox::Compound.from_smiles(params[:identifier]) rescue flash[:notice] = "Could not find a structure for '#{@identifier}'. Please try again." redirect url_for('/predict') diff --git a/views/predict.haml b/views/predict.haml index ec667e6..7d5e30a 100644 --- a/views/predict.haml +++ b/views/predict.haml @@ -23,7 +23,8 @@ %a{:href => 'http://www.molinspiration.com/jme/index.html', :rel => "external"} JME Editor courtesy of Peter Ertl, Novartis %br - %label{:for => 'identifier'} or enter a Name, InChI, Smiles, CAS, ... + -# %label{:for => 'identifier'} or enter a Name, InChI, Smiles, CAS, ... + %label{:for => 'identifier'} or enter a Smiles string %input{:type => 'text', :name => 'identifier', :id => 'identifier', :size => '60'} %br %fieldset -- cgit v1.2.3