From 27f82686eff390405b9dcd2d220864851c050a0b Mon Sep 17 00:00:00 2001
From: Greg Landrum <greg.landrum@gmail.com>
Date: Sun, 21 Jan 2018 06:51:14 +0100
Subject: [PATCH] remove c++11 bits

---
 .../RGroupDecomposition/testRGroupDecomp.cpp  | 56 ++++++++++---------
 1 file changed, 31 insertions(+), 25 deletions(-)

diff --git a/Code/GraphMol/RGroupDecomposition/testRGroupDecomp.cpp b/Code/GraphMol/RGroupDecomposition/testRGroupDecomp.cpp
index 99c65d2ff..f342c3de6 100644
--- a/Code/GraphMol/RGroupDecomposition/testRGroupDecomp.cpp
+++ b/Code/GraphMol/RGroupDecomposition/testRGroupDecomp.cpp
@@ -264,19 +264,18 @@ const char *coreSmi[] = {
 
     "C1CCOC(Cl)CC1", "C1CC(Cl)OCCC1", "C1CCOC(I)CC1", "C1CC(I)OCCC1"};
 
-const char *coreSmiRes[] = {
-    "Core:C1CCC([*:2])N([*:1])CC1 R1:Cl[*:1].[H][*:1]",
-    "Core:C1CCC([*:2])N([*:1])CC1 R1:Cl[*:1].[H][*:1]",
-    "Core:C1CCC([*:2])N([*:1])CC1 R1:I[*:1].[H][*:1]",
-    "Core:C1CCC([*:2])N([*:1])CC1 R1:I[*:1].[H][*:1]",
-    "Core:C1CCSC([*:1])CC1 R1:Cl[*:1].[H][*:1]",
-    "Core:C1CCSC([*:1])CC1 R1:Cl[*:1].[H][*:1]",
-    "Core:C1CCSC([*:1])CC1 R1:I[*:1].[H][*:1]",
-    "Core:C1CCSC([*:1])CC1 R1:I[*:1].[H][*:1]",
-    "Core:C1CCOC([*:1])CC1 R1:Cl[*:1].[H][*:1]",
-    "Core:C1CCOC([*:1])CC1 R1:Cl[*:1].[H][*:1]",
-    "Core:C1CCOC([*:1])CC1 R1:I[*:1].[H][*:1]",
-    "Core:C1CCOC([*:1])CC1 R1:I[*:1].[H][*:1]"};
+const char *coreSmiRes[] = {"Core:C1CCC([*:2])N([*:1])CC1 R1:Cl[*:1].[H][*:1]",
+                            "Core:C1CCC([*:2])N([*:1])CC1 R1:Cl[*:1].[H][*:1]",
+                            "Core:C1CCC([*:2])N([*:1])CC1 R1:I[*:1].[H][*:1]",
+                            "Core:C1CCC([*:2])N([*:1])CC1 R1:I[*:1].[H][*:1]",
+                            "Core:C1CCSC([*:1])CC1 R1:Cl[*:1].[H][*:1]",
+                            "Core:C1CCSC([*:1])CC1 R1:Cl[*:1].[H][*:1]",
+                            "Core:C1CCSC([*:1])CC1 R1:I[*:1].[H][*:1]",
+                            "Core:C1CCSC([*:1])CC1 R1:I[*:1].[H][*:1]",
+                            "Core:C1CCOC([*:1])CC1 R1:Cl[*:1].[H][*:1]",
+                            "Core:C1CCOC([*:1])CC1 R1:Cl[*:1].[H][*:1]",
+                            "Core:C1CCOC([*:1])CC1 R1:I[*:1].[H][*:1]",
+                            "Core:C1CCOC([*:1])CC1 R1:I[*:1].[H][*:1]"};
 
 void testMultiCore() {
   BOOST_LOG(rdInfoLog)
@@ -330,7 +329,7 @@ void testGithub1550() {
 
   decomp.process();
   RGroupColumns groups = decomp.getRGroupsAsColumns();
-  
+
   RWMol *coreRes = (RWMol *)groups["Core"][0].get();
   TEST_ASSERT(coreRes->getNumAtoms() == 14);
   MolOps::Kekulize(*coreRes);
@@ -388,13 +387,16 @@ void testRemoveHs() {
 void testGitHubIssue1705() {
   BOOST_LOG(rdInfoLog)
       << "********************************************************\n";
-  BOOST_LOG(rdInfoLog) << "test preferring grouping non hydrogens over hydrogens if possible" << std::endl;
+  BOOST_LOG(rdInfoLog)
+      << "test preferring grouping non hydrogens over hydrogens if possible"
+      << std::endl;
 
   RWMol *core = SmilesToMol("Oc1ccccc1");
   RGroupDecompositionParameters params;
 
   RGroupDecomposition decomp(*core, params);
-  const char *smilesData[5] = {"Oc1ccccc1","Oc1c(F)cccc1","Oc1ccccc1F","Oc1c(F)cc(N)cc1","Oc1ccccc1Cl"};
+  const char *smilesData[5] = {"Oc1ccccc1", "Oc1c(F)cccc1", "Oc1ccccc1F",
+                               "Oc1c(F)cc(N)cc1", "Oc1ccccc1Cl"};
   for (int i = 0; i < 5; ++i) {
     ROMol *mol = SmilesToMol(smilesData[i]);
     int res = decomp.add(*mol);
@@ -405,19 +407,23 @@ void testGitHubIssue1705() {
   decomp.process();
   std::stringstream ss;
   RGroupColumns groups = decomp.getRGroupsAsColumns();
-  for (auto &column : groups) {
-    ss << "Rgroup===" << column.first << std::endl;
-    for (auto &rgroup : column.second ) {
-      ss << MolToSmiles(*rgroup) << std::endl;
+  for (RGroupColumns::const_iterator cit = groups.begin(); cit != groups.end();
+       ++cit) {
+    ss << "Rgroup===" << cit->first << std::endl;
+    for (RGroupColumn::const_iterator rit = cit->second.begin();
+         rit != cit->second.end(); ++rit) {
+      ss << MolToSmiles(*(*rit)) << std::endl;
     }
   }
 
-  TEST_ASSERT(ss.str() == "Rgroup===Core\nOc1ccc([*:2])cc1[*:1]\nOc1ccc([*:2])cc1[*:1]\nOc1ccc([*:2])cc1[*:1]\nOc1ccc([*:2])cc1[*:1]\nOc1ccc([*:2])cc1[*:1]\nRgroup===R1\n[H][*:1]\nF[*:1]\nF[*:1]\nF[*:1]\nCl[*:1]\nRgroup===R2\n[H][*:2]\n[H][*:2]\n[H][*:2]\n[H]N([H])[*:2]\n[H][*:2]\n");
-
-  
+  TEST_ASSERT(ss.str() ==
+              "Rgroup===Core\nOc1ccc([*:2])cc1[*:1]\nOc1ccc([*:2])cc1[*:1]"
+              "\nOc1ccc([*:2])cc1[*:1]\nOc1ccc([*:2])cc1[*:1]\nOc1ccc([*:2])"
+              "cc1[*:1]\nRgroup===R1\n[H][*:1]\nF[*:1]\nF[*:1]\nF[*:1]\nCl[*:1]"
+              "\nRgroup===R2\n[H][*:2]\n[H][*:2]\n[H][*:2]\n[H]N([H])[*:2]\n[H]"
+              "[*:2]\n");
 }
 
-
 int main() {
   RDLog::InitLogs();
 
@@ -437,7 +443,7 @@ int main() {
   testRemoveHs();
 
   testGitHubIssue1705();
-  
+
   BOOST_LOG(rdInfoLog)
       << "********************************************************\n";
   return 0;