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| author | rautenberg <rautenberg@in-silico.ch> | 2014-11-04 17:05:04 +0100 |
|---|---|---|
| committer | rautenberg <rautenberg@in-silico.ch> | 2014-11-04 17:05:04 +0100 |
| commit | 589137fc4bd8ddeebaecad5a1e498048fb52046f (patch) | |
| tree | 46414d97b7ba5c11251ee27510f18b17afc6f151 /lib/algorithm.rb | |
| parent | f6b7f7f812b29ccffb34fcf55d4cef7fbd8b2744 (diff) | |
| parent | 321115e7176648227cfc8c56c995ce4e8721fbfb (diff) | |
Merge branch 'development' of github.com:opentox/opentox-client into development
Diffstat (limited to 'lib/algorithm.rb')
| -rw-r--r-- | lib/algorithm.rb | 5 |
1 files changed, 5 insertions, 0 deletions
diff --git a/lib/algorithm.rb b/lib/algorithm.rb index 582a1d1..bd4e54a 100644 --- a/lib/algorithm.rb +++ b/lib/algorithm.rb @@ -47,6 +47,11 @@ module OpenTox Hash[ RestClientWrapper.get(File.join(service_uri, "descriptor", "physchem", "list")).to_s.split("\n").collect{|l| l.split("\t")} ] end + # returns array of "descriptor-values", as CDK descriptors calculate serveral values, e.g., ALOGP produces ALOGP.ALogP, ALOGP.ALogp2, ALOGP.AMR + def self.physchem_descriptor_values + RestClientWrapper.get(File.join(service_uri, "descriptor", "physchem", "list_values")).to_s.split("\n") + end + end class Fminer |