- Make the TabulatedFunction::Copy method a pure virtual.

- Don't make a Copy method on FunctionInfo
- Have the Copy() methods on the TabulatedFunction subclasses return a pointer

openmmapi/include/openmm/CustomNonbondedForce.h

@@ -552,10 +552,6 @@ public:
     }
     FunctionInfo(const std::string& name, TabulatedFunction* function) : name(name), function(function) {
     }
-    FunctionInfo Copy() const {
-        TabulatedFunction new_func = function->Copy();
-        return FunctionInfo(name, &new_func);
-    }
 };
 
 /**

openmmapi/include/openmm/TabulatedFunction.h

@@ -59,9 +59,7 @@ class OPENMM_EXPORT TabulatedFunction {
 public:
     virtual ~TabulatedFunction() {
     }
-    TabulatedFunction Copy() const {
-        return TabulatedFunction();
-    }
+    virtual TabulatedFunction* Copy() const = 0;
 };
 
 /**
@@ -102,7 +100,7 @@ public:
     /**
      * Create a deep copy of the tabulated function.
      */
-    Continuous1DFunction Copy() const;
+    Continuous1DFunction* Copy() const;
 private:
     std::vector<double> values;
     double min, max;
@@ -161,7 +159,7 @@ public:
     /**
      * Create a deep copy of the tabulated function
      */
-    Continuous2DFunction Copy() const;
+    Continuous2DFunction* Copy() const;
 private:
     std::vector<double> values;
     int xsize, ysize;
@@ -236,7 +234,7 @@ public:
     /**
      * Create a deep copy of the tabulated function
      */
-    Continuous3DFunction Copy() const;
+    Continuous3DFunction* Copy() const;
 private:
     std::vector<double> values;
     int xsize, ysize, zsize;
@@ -271,7 +269,7 @@ public:
     /**
      * Create a deep copy of the tabulated function
      */
-    Discrete1DFunction Copy() const;
+    Discrete1DFunction* Copy() const;
 private:
     std::vector<double> values;
 };
@@ -313,7 +311,7 @@ public:
     /**
      * Create a deep copy of the tabulated function
      */
-    Discrete2DFunction Copy() const;
+    Discrete2DFunction* Copy() const;
 private:
     int xsize, ysize;
     std::vector<double> values;
@@ -359,7 +357,7 @@ public:
     /**
      * Create a deep copy of the tabulated function
      */
-    Discrete3DFunction Copy() const;
+    Discrete3DFunction* Copy() const;
 private:
     int xsize, ysize, zsize;
     std::vector<double> values;

openmmapi/src/CustomNonbondedForce.cpp

@@ -65,7 +65,7 @@ CustomNonbondedForce::CustomNonbondedForce(const CustomNonbondedForce& rhs) {
     exclusions = rhs.exclusions;
     interactionGroups = rhs.interactionGroups;
     for (vector<FunctionInfo>::const_iterator it = rhs.functions.begin(); it != rhs.functions.end(); it++)
-        functions.push_back(it->Copy());
+        functions.push_back(FunctionInfo(it->name, it->function->Copy()));
 }
 
 CustomNonbondedForce::~CustomNonbondedForce() {

openmmapi/src/TabulatedFunction.cpp

@@ -61,11 +61,11 @@ void Continuous1DFunction::setFunctionParameters(const vector<double>& values, d
     this->max = max;
 }
 
-Continuous1DFunction Continuous1DFunction::Copy() const {
+Continuous1DFunction* Continuous1DFunction::Copy() const {
     vector<double> new_vec(values.size());
     for (size_t i = 0; i < values.size(); i++)
         new_vec[i] = values[i];
-    return Continuous1DFunction(new_vec, min, max);
+    return new Continuous1DFunction(new_vec, min, max);
 }
 
 Continuous2DFunction::Continuous2DFunction(int xsize, int ysize, const vector<double>& values, double xmin, double xmax, double ymin, double ymax) {
@@ -114,11 +114,11 @@ void Continuous2DFunction::setFunctionParameters(int xsize, int ysize, const vec
     this->ymax = ymax;
 }
 
-Continuous2DFunction Continuous2DFunction::Copy() const {
+Continuous2DFunction* Continuous2DFunction::Copy() const {
     vector<double> new_vec(values.size());
     for (size_t i = 0; i < values.size(); i++)
         new_vec[i] = values[i];
-    return Continuous2DFunction(xsize, ysize, new_vec, xmin, xmax, ymin, ymax);
+    return new Continuous2DFunction(xsize, ysize, new_vec, xmin, xmax, ymin, ymax);
 }
 
 Continuous3DFunction::Continuous3DFunction(int xsize, int ysize, int zsize, const vector<double>& values, double xmin, double xmax, double ymin, double ymax, double zmin, double zmax) {
@@ -180,11 +180,11 @@ void Continuous3DFunction::setFunctionParameters(int xsize, int ysize, int zsize
     this->zmax = zmax;
 }
 
-Continuous3DFunction Continuous3DFunction::Copy() const {
+Continuous3DFunction* Continuous3DFunction::Copy() const {
     vector<double> new_vec(values.size());
     for (size_t i = 0; i < values.size(); i++)
         new_vec[i] = values[i];
-    return Continuous3DFunction(xsize, ysize, zsize, new_vec, xmin, xmax, ymin, ymax, zmin, zmax);
+    return new Continuous3DFunction(xsize, ysize, zsize, new_vec, xmin, xmax, ymin, ymax, zmin, zmax);
 }
 
 
@@ -200,11 +200,11 @@ void Discrete1DFunction::setFunctionParameters(const vector<double>& values) {
     this->values = values;
 }
 
-Discrete1DFunction Discrete1DFunction::Copy() const {
+Discrete1DFunction* Discrete1DFunction::Copy() const {
     vector<double> new_vec(values.size());
     for (size_t i = 0; i < values.size(); i++)
         new_vec[i] = values[i];
-    return Discrete1DFunction(new_vec);
+    return new Discrete1DFunction(new_vec);
 }
 
 Discrete2DFunction::Discrete2DFunction(int xsize, int ysize, const vector<double>& values) {
@@ -229,11 +229,11 @@ void Discrete2DFunction::setFunctionParameters(int xsize, int ysize, const vecto
     this->values = values;
 }
 
-Discrete2DFunction Discrete2DFunction::Copy() const {
+Discrete2DFunction* Discrete2DFunction::Copy() const {
     vector<double> new_vec(values.size());
     for (size_t i = 0; i < values.size(); i++)
         new_vec[i] = values[i];
-    return Discrete2DFunction(xsize, ysize, new_vec);
+    return new Discrete2DFunction(xsize, ysize, new_vec);
 }
 
 Discrete3DFunction::Discrete3DFunction(int xsize, int ysize, int zsize, const vector<double>& values) {
@@ -261,9 +261,9 @@ void Discrete3DFunction::setFunctionParameters(int xsize, int ysize, int zsize,
     this->values = values;
 }
 
-Discrete3DFunction Discrete3DFunction::Copy() const {
+Discrete3DFunction* Discrete3DFunction::Copy() const {
     vector<double> new_vec(values.size());
     for (size_t i = 0; i < values.size(); i++)
         new_vec[i] = values[i];
-    return Discrete3DFunction(xsize, ysize, zsize, new_vec);
+    return new Discrete3DFunction(xsize, ysize, zsize, new_vec);
 }