From 71b058ddced34cd26d9d282989fa5d47c03cc4f8 Mon Sep 17 00:00:00 2001
From: Greg Landrum <greg.landrum@gmail.com>
Date: Sun, 4 Dec 2011 05:29:35 +0000
Subject: [PATCH] add amide bond test

---
 Code/GraphMol/Descriptors/Lipinski.cpp | 1 +
 1 file changed, 1 insertion(+)

diff --git a/Code/GraphMol/Descriptors/Lipinski.cpp b/Code/GraphMol/Descriptors/Lipinski.cpp
index a8a6e921b..eb7079012 100644
--- a/Code/GraphMol/Descriptors/Lipinski.cpp
+++ b/Code/GraphMol/Descriptors/Lipinski.cpp
@@ -55,6 +55,7 @@ namespace RDKit{
     SMARTSCOUNTFUNC(NumHBD, "[$([N;!H0;v3]),$([N;!H0;+1;v4]),$([O,S;H1;+0]),$([n;H1;+0])]","2.0.1" ) ;
     SMARTSCOUNTFUNC(NumHBA, "[$([O,S;H1;v2]-[!$(*=[O,N,P,S])]),$([O,S;H0;v2]),$([O,S;-]),$([N;v3;!$(N-*=!@[O,N,P,S])]),$([nH0,o,s;+0])]","2.0.1") ;
     SMARTSCOUNTFUNC(NumHeteroatoms,"[!#6;!#1]","1.0.1") ;
+    SMARTSCOUNTFUNC(NumAmideBonds,"C(=[O;!R])N","1.0.0") ;
     
     const std::string NumRingsVersion="1.0.1";
     unsigned int calcNumRings(const ROMol &mol){