Merge pull request #344 from peastman/master

Another attempt at dealing with the fact that some compilers define round() and others don't

platforms/reference/src/ReferenceTabulatedFunction.cpp

@@ -33,16 +33,20 @@
 #include "openmm/OpenMMException.h"
 #include "openmm/internal/SplineFitter.h"
 
-using namespace OpenMM;
-using namespace std;
-using Lepton::CustomFunction;
-
+#ifdef _MSC_VER
 /**
  * We need to define this ourselves, since Visual Studio is missing round() from cmath.
  */
 static int round(double x) {
     return (int) (x+0.5);
 }
+#else
+#include <cmath>
+#endif
+
+using namespace OpenMM;
+using namespace std;
+using Lepton::CustomFunction;
 
 extern "C" CustomFunction* createReferenceTabulatedFunction(const TabulatedFunction& function) {
     if (dynamic_cast<const Continuous1DFunction*>(&function) != NULL)
@@ -201,7 +205,7 @@ int ReferenceDiscrete1DFunction::getNumArguments() const {
 }
 
 double ReferenceDiscrete1DFunction::evaluate(const double* arguments) const {
-    int i = round(arguments[0]);
+    int i = (int) round(arguments[0]);
     if (i < 0 || i >= values.size())
         throw OpenMMException("ReferenceDiscrete1DFunction: argument out of range");
     return values[i];
@@ -224,8 +228,8 @@ int ReferenceDiscrete2DFunction::getNumArguments() const {
 }
 
 double ReferenceDiscrete2DFunction::evaluate(const double* arguments) const {
-    int i = round(arguments[0]);
-    int j = round(arguments[1]);
+    int i = (int) round(arguments[0]);
+    int j = (int) round(arguments[1]);
     if (i < 0 || i >= xsize || j < 0 || j >= ysize)
         throw OpenMMException("ReferenceDiscrete2DFunction: argument out of range");
     return values[i+j*xsize];
@@ -248,9 +252,9 @@ int ReferenceDiscrete3DFunction::getNumArguments() const {
 }
 
 double ReferenceDiscrete3DFunction::evaluate(const double* arguments) const {
-    int i = round(arguments[0]);
-    int j = round(arguments[1]);
-    int k = round(arguments[2]);
+    int i = (int) round(arguments[0]);
+    int j = (int) round(arguments[1]);
+    int k = (int) round(arguments[2]);
     if (i < 0 || i >= xsize || j < 0 || j >= ysize || k < 0 || k >= zsize)
         throw OpenMMException("ReferenceDiscrete3DFunction: argument out of range");
     return values[i+(j+k*ysize)*xsize];