Replaced not_equal macro by notEqual function

openmmapi/src/SplineFitter.cpp

@@ -30,6 +30,7 @@
  * -------------------------------------------------------------------------- */
 
 #include <vector>
+#include <math.h>
 
 #include "openmm/internal/SplineFitter.h"
 #include "openmm/OpenMMException.h"
@@ -37,7 +38,9 @@
 using namespace OpenMM;
 using namespace std;
 
-#define not_equal(a, b) (abs((a)-(b)) > 1e-15 + 1e-15*abs(b))  // same as scipy.interpolate()
+static bool notEqual(double a, double b) {
+  return (fabs(a-b) > 1e-15 + 1e-15*fabs(b));
+}
 
 void SplineFitter::createSpline(const vector<double>& x, const vector<double>& y, bool periodic, vector<double>& deriv) {
     if (periodic)
@@ -89,7 +92,7 @@ void SplineFitter::createPeriodicSpline(const vector<double>& x, const vector<do
         throw OpenMMException("createPeriodicSpline: x and y vectors must have same length");
     if (n < 3)
         throw OpenMMException("createPeriodicSpline: the length of the input array must be at least 3");
-    if (not_equal(y[0], y[n-1]))
+    if (notEqual(y[0], y[n-1]))
         throw OpenMMException("createPeriodicSpline: the first and last points must have the same value");
     deriv.resize(n);