Excel instructions added

5 files changed, 80 insertions, 1 deletions

diff --git a/application.rb b/application.rb
index 9e9c7a5..33ee54d 100755
--- a/application.rb
+++ b/application.rb
@@ -222,6 +222,10 @@ get '/csv_format' do
 	haml :csv_format
 end
 
+get '/excel_format' do
+	haml :excel_format
+end
+
 get "/confidence" do
 	haml :confidence
 end
diff --git a/public/hamster_carcinogenicity.xls b/public/hamster_carcinogenicity.xls
new file mode 100644
index 0000000..0015ac6
--- /dev/null
+++ b/public/hamster_carcinogenicity.xls
diff --git a/views/create.haml b/views/create.haml
index f754770..3c9798d 100644
--- a/views/create.haml
+++ b/views/create.haml
@@ -4,7 +4,7 @@
     This service creates 
     %a{:href => 'http://lazar.in-silico.de'} lazar
     classification models (more model building algorithms will follow) from your uploaded datasets. Here are
-    = link_to "instructions", '/csv_format'
+    = link_to "instructions", '/excel_format'
     , for creating training datasets in Excel.
 
   %form{ :action => url_for('/upload'), :method => "post", :enctype => "multipart/form-data" }
@@ -18,6 +18,8 @@
       %br
       %label{:for => 'file'}
         2. Upload training data in
+        = link_to "Excel", '/excel_format'
+        or
         = link_to "CSV", '/csv_format'
         format:
       %input{:type => 'file', :name => 'file', :id => 'file', :size => '41'}
diff --git a/views/excel_format.haml b/views/excel_format.haml
new file mode 100644
index 0000000..4cbbd08
--- /dev/null
+++ b/views/excel_format.haml
@@ -0,0 +1,64 @@
+= link_to "Back to model creation", '/create'
+%p
+  The Excel input file should contain a single spreadsheet with two columns. Enter in the first column the chemical structure in
+  %a{:href => "http://en.wikipedia.org/wiki/Simplified_molecular_input_line_entry_specification"} SMILES
+  format, in the second column the activity classification (1: active, 0: inactive), e.g.
+
+- n = 0
+
+.code
+  %table
+    %tr
+      %td
+      %th A
+      %th B
+    %tr
+      - n += 1
+      %th= n
+      %td CC(=O)Nc1ccc(O)cc1
+      %td 1  
+    %tr
+      - n += 1
+      %th= n
+      %td O=c1[nH]cnc2[nH]ncc12
+      %td 1  
+    %tr
+      - n += 1
+      %th= n
+      %td CCCCNc1cc(cc(c1Oc2ccccc2)S(=O)(=O)N)C(=O)O
+      %td 1  
+    %tr
+      - n += 1
+      %th= n
+      %td CC(C)(C)NCC(O)COc1cccc2NC(=O)CCc12
+      %td 1  
+    %tr
+      - n += 1
+      %th= n
+      %td CN(C)CCCC1(OCc2cc(C#N)ccc21)c3ccc(F)cc3
+      %td 1  
+    %tr
+      - n += 1
+      %th= n
+      %td CCC(CC)CCN1C(=O)CN=C(C2CCCCC2F)c3cc(Cl)ccc13
+      %td 0 
+    %tr
+      - n += 1
+      %th= n
+      %td CCN(CC)CC(=O)Nc1c(C)cccc1C
+      %td 0 
+    %tr
+      - n += 1
+      %th= n
+      %td CC(C)(C)NCC(O)COc1cccc2CC(O)C(O)Cc12
+      %td 0 
+    %tr
+      - n += 1
+      %th= n
+      %td CN1CCCC1c2cccnc2
+      %td 0 
+
+%p
+  Here is an example file for download:
+  = link_to "hamster_carcinogenicity.xls", "/hamster_carcinogenicity.xls"
+
diff --git a/views/style.sass b/views/style.sass
index d1c62e0..af53bf0 100644
--- a/views/style.sass
+++ b/views/style.sass
@@ -128,6 +128,15 @@ body
       border: 1px solid black
       padding: 1%
       background-color: white
+      table
+        :border-collapse collapse
+        th
+          :padding 0.5em
+          :border 1px solid
+          background-color: #CCD2DC
+        td
+          :padding 0.5em
+          :border 1px solid
 
     .predictions
       :text-align center