summaryrefslogtreecommitdiff
path: root/scripts
diff options
context:
space:
mode:
authorChristoph Helma <helma@in-silico.ch>2018-09-06 17:23:01 +0200
committerChristoph Helma <helma@in-silico.ch>2018-09-06 17:23:01 +0200
commit21c114dc55eef123a91d74fb81f36877fb66c44e (patch)
treef2335dac9e1577ff40a68b4e6904129a0c674d56 /scripts
parent3146140b2530bc89d13c494f2e4317b952fc31cc (diff)
mutagenicity sdf export
Diffstat (limited to 'scripts')
-rwxr-xr-xscripts/export-sdf.rb6
-rwxr-xr-xscripts/import-csv.rb8
2 files changed, 14 insertions, 0 deletions
diff --git a/scripts/export-sdf.rb b/scripts/export-sdf.rb
new file mode 100755
index 0000000..c2e75e7
--- /dev/null
+++ b/scripts/export-sdf.rb
@@ -0,0 +1,6 @@
+#!/usr/bin/env ruby
+require_relative '../../lazar/lib/lazar'
+include OpenTox
+
+dataset = Dataset.find File.read(ARGV[0]).chomp
+dataset.to_sdf
diff --git a/scripts/import-csv.rb b/scripts/import-csv.rb
new file mode 100755
index 0000000..255e342
--- /dev/null
+++ b/scripts/import-csv.rb
@@ -0,0 +1,8 @@
+#!/usr/bin/env ruby
+require_relative '../../lazar/lib/lazar'
+include OpenTox
+
+dataset = Dataset.from_csv_file ARGV[0]
+puts dataset.id.to_s
+
+