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author | ist <ist@ist.opentox.org> | 2010-06-11 17:35:10 +0200 |
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committer | ist <ist@ist.opentox.org> | 2010-06-11 17:35:10 +0200 |
commit | 4902d7d4c2d45ef98d20d5a6269e0dbf3bd01cc4 (patch) | |
tree | fd698132b92ed15cd709591d7ec428559d22dd8f | |
parent | af7bf8b2845de787fb9d571054fb1ad3b6522dbf (diff) |
Added occurrence function 'match_all'
-rw-r--r-- | lib/compound.rb | 6 |
1 files changed, 6 insertions, 0 deletions
diff --git a/lib/compound.rb b/lib/compound.rb index 6ab78e0..7c7c3d8 100644 --- a/lib/compound.rb +++ b/lib/compound.rb @@ -69,6 +69,12 @@ module OpenTox smarts_array.collect{|s| s if match?(s)}.compact end + # AM + # Match an array of smarts features, returns (0)1 for (non)matching features at each pos + def match_all(smarts_array) + smarts_array.collect{|s| match?(s) ? 1 : 0 } + end + def sdf2inchi(sdf) obconversion(sdf,'sdf','inchi') end |