Fix compile error in src/ops/conformer.cpp & add virtual destructors in

include/openbabel/conformersearch.h with empty implementation.
CFGrote · Aug 27, 2012 · 2086cff · 2086cff
1 parent d68bfcb
commit 2086cff
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Showing 2 changed files with 6 additions and 4 deletions.
diff --git a/include/openbabel/conformersearch.h b/include/openbabel/conformersearch.h
@@ -61,6 +61,7 @@ namespace OpenBabel {
        * @return True if the conformer passes the filter.
        */
       virtual bool IsGood(const OBMol &mol, const RotorKey &key, double *coords) = 0;
+      virtual ~OBConformerFilter() {}
   };
 
   /**
@@ -139,6 +140,7 @@ namespace OpenBabel {
   class OBAPI OBConformerScore
   {
     public:
+      virtual ~OBConformerScore() {}
       /**
        * Conformer scores can be preferably high or low.
        */

diff --git a/src/ops/conformer.cpp b/src/ops/conformer.cpp
@@ -159,10 +159,10 @@ namespace OpenBabel
       OBConformerSearch cs;
       if (score == "energy")
         cs.SetScore(new OBEnergyConformerScore);
-      else if (score.find("mine") != std::string::npos)
-        cs.SetScore(new OBMinimizingEnergyConformerScore);
-      else if (score.find("minr") != std::string::npos)
-        cs.SetScore(new OBMinimizingRMSDConformerScore);
+      //else if (score.find("mine") != std::string::npos)
+      //  cs.SetScore(new OBMinimizingEnergyConformerScore);
+      //else if (score.find("minr") != std::string::npos)
+      //  cs.SetScore(new OBMinimizingRMSDConformerScore);
 
       if (cs.Setup(*pmol, numConformers, numChildren, mutability, convergence)) {
         cs.Search();