Mods to fix problem w/ base class method computeBornRadii() being called when PyOpenMM is run

platforms/reference/src/gbsa/CpuImplicitSolvent.cpp

@@ -521,7 +521,7 @@ vector<RealOpenMM>& CpuImplicitSolvent::getBornRadiiTemp( void ){
    @param obcChain            output array of Obc chain derivatives
 
    --------------------------------------------------------------------------------------- */
-
+/*
 void CpuImplicitSolvent::computeBornRadii( vector<RealVec>& atomCoordinates, vector<RealOpenMM>& bornRadii ){
 
    // ---------------------------------------------------------------------------------------
@@ -534,7 +534,7 @@ void CpuImplicitSolvent::computeBornRadii( vector<RealVec>& atomCoordinates, vec
    message << methodName;
    message << " Error: calling from base class.";
    SimTKOpenMMLog::printError( message );
-}
+} */
 
 /**---------------------------------------------------------------------------------------
 

platforms/reference/src/gbsa/CpuImplicitSolvent.h

@@ -334,7 +334,7 @@ class OPENMM_EXPORT CpuImplicitSolvent {
       
          --------------------------------------------------------------------------------------- */
       
-      virtual void computeBornRadii( std::vector<OpenMM::RealVec>& atomCoordinates, std::vector<RealOpenMM>& bornRadii );
+      virtual void computeBornRadii( std::vector<OpenMM::RealVec>& atomCoordinates, std::vector<RealOpenMM>& bornRadii ) = 0;
       
       /**---------------------------------------------------------------------------------------
       

plugins/freeEnergy/platforms/reference/src/gbsa/CpuGBVISoftcore.cpp

@@ -310,6 +310,10 @@ void CpuGBVISoftcore::computeBornRadiiUsingQuinticSpline( RealOpenMM atomicRadiu
 
 #define GBVISoftcoreDebug 0
 
+void CpuGBVISoftcore::computeBornRadii( vector<RealVec>& atomCoordinates, vector<RealOpenMM>& bornRadii ){
+    return computeBornRadii( atomCoordinates, bornRadii, NULL );
+}
+
 void CpuGBVISoftcore::computeBornRadii( vector<RealVec>& atomCoordinates, vector<RealOpenMM>& bornRadii, RealOpenMM* switchDeriviative ){
 
    // ---------------------------------------------------------------------------------------

plugins/freeEnergy/platforms/reference/src/gbsa/CpuGBVISoftcore.h

@@ -113,6 +113,7 @@ class CpuGBVISoftcore : public CpuImplicitSolvent {
       
       void computeBornRadii( std::vector<OpenMM::RealVec>& atomCoordinates, std::vector<RealOpenMM>& bornRadii,
                             RealOpenMM* switchDeriviative = NULL );
+      void computeBornRadii( std::vector<OpenMM::RealVec>& atomCoordinates, std::vector<RealOpenMM>& bornRadii );
 
       /**---------------------------------------------------------------------------------------
       

plugins/freeEnergy/platforms/reference/src/gbsa/CpuObcSoftcore.cpp

@@ -207,7 +207,7 @@ vector<RealOpenMM>& CpuObcSoftcore::getObcChainTemp( void ){
 
    --------------------------------------------------------------------------------------- */
 
-void CpuObcSoftcore::computeBornRadii( vector<RealVec>& atomCoordinates, RealOpenMM* bornRadii ){
+void CpuObcSoftcore::computeBornRadii( vector<RealVec>& atomCoordinates,  std::vector<RealOpenMM>& bornRadii ){
 
    // ---------------------------------------------------------------------------------------
 

plugins/freeEnergy/platforms/reference/src/gbsa/CpuObcSoftcore.h

@@ -124,7 +124,7 @@ class CpuObcSoftcore : public CpuImplicitSolvent {
       
          --------------------------------------------------------------------------------------- */
       
-      void computeBornRadii( std::vector<OpenMM::RealVec>& atomCoordinates, RealOpenMM* bornRadii );
+      void computeBornRadii( std::vector<OpenMM::RealVec>& atomCoordinates,  std::vector<RealOpenMM>& bornRadii );
       
       /**---------------------------------------------------------------------------------------