Fix some warnings about overriding virtual functions

GOMC-WSU · Jan 30, 2025 · 979a0b7 · 979a0b7
1 parent 6c1cd3d
commit 979a0b7
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Showing 4 changed files with 19 additions and 17 deletions.
diff --git a/src/BoxDimensions.h b/src/BoxDimensions.h
@@ -37,8 +37,8 @@ class BoxDimensions {
 
   virtual ~BoxDimensions(){};
 
-  virtual BoxDimensions &operator=(BoxDimensions const &other);
-  virtual bool operator==(BoxDimensions const &other);
+  BoxDimensions &operator=(BoxDimensions const &other);
+  bool operator==(BoxDimensions const &other);
 
   virtual void Init(config_setup::RestartSettings const &restart,
                     config_setup::Volume const &confVolume,
@@ -52,12 +52,12 @@ class BoxDimensions {
 
   virtual void SetVolume(const uint b, const double vol);
 
-  virtual uint ShiftVolume(BoxDimensions &newDim, XYZ &scale, const uint b,
-                           const double delta) const;
+  uint ShiftVolume(BoxDimensions &newDim, XYZ &scale, const uint b,
+                   const double delta) const;
 
   //! Calculate and execute volume exchange based on transfer
-  virtual uint ExchangeVolume(BoxDimensions &newDim, XYZ *scale,
-                              const double transfer, const uint *box) const;
+  uint ExchangeVolume(BoxDimensions &newDim, XYZ *scale, const double transfer,
+                      const uint *box) const;
 
   // Vector btwn two points, accounting for PBC, on an individual axis
   virtual XYZ MinImage(XYZ rawVec, const uint b) const;

diff --git a/src/BoxDimensionsNonOrth.h b/src/BoxDimensionsNonOrth.h
@@ -29,21 +29,21 @@ class BoxDimensionsNonOrth : public BoxDimensions {
     }
   }
 
-  virtual BoxDimensionsNonOrth &operator=(BoxDimensionsNonOrth const &other);
-  virtual bool operator==(BoxDimensionsNonOrth const &other);
+  BoxDimensionsNonOrth &operator=(BoxDimensionsNonOrth const &other);
+  bool operator==(BoxDimensionsNonOrth const &other);
 
   virtual void Init(config_setup::RestartSettings const &restart,
                     config_setup::Volume const &confVolume,
                     pdb_setup::Cryst1 const &cryst, Forcefield const &ff);
 
   virtual void SetVolume(const uint b, const double vol);
 
-  virtual uint ShiftVolume(BoxDimensionsNonOrth &newDim, XYZ &scale,
-                           const uint b, const double delta) const;
+  uint ShiftVolume(BoxDimensionsNonOrth &newDim, XYZ &scale, const uint b,
+                   const double delta) const;
 
   //! Calculate and execute volume exchange based on transfer
-  virtual uint ExchangeVolume(BoxDimensionsNonOrth &newDim, XYZ *scale,
-                              const double transfer, const uint *box) const;
+  uint ExchangeVolume(BoxDimensionsNonOrth &newDim, XYZ *scale,
+                      const double transfer, const uint *box) const;
 
   // Construct cell basis based on new axis dimension
   void CalcCellDimensions(const uint b);
@@ -59,16 +59,17 @@ class BoxDimensionsNonOrth : public BoxDimensions {
   virtual XYZ MinImage_Z(XYZ rawVec, const uint b) const;
 
   // wrap one coordinate
-  virtual void WrapPBC(double &x, double &y, double &z, const uint b) const;
+  virtual void WrapPBC(double &x, double &y, double &z,
+                       const uint b) const override;
 
   // wrap one coordinate and check for PBC
   virtual void WrapPBC(double &x, double &y, double &z, const uint b,
                        const bool &pbcX, const bool &pbcY,
-                       const bool &pbcZ) const;
+                       const bool &pbcZ) const override;
 
   // Unwrap one coordinate
   virtual void UnwrapPBC(double &x, double &y, double &z, const uint b,
-                         XYZ const &ref) const;
+                         XYZ const &ref) const override;
 
   // Transform A to unslant coordinate
   XYZ TransformUnSlant(const XYZ &A, const uint b) const;

diff --git a/src/EwaldCached.cpp b/src/EwaldCached.cpp
@@ -394,7 +394,8 @@ double
 EwaldCached::MolExchangeReciprocal(const std::vector<cbmc::TrialMol> &newMol,
                                    const std::vector<cbmc::TrialMol> &oldMol,
                                    const std::vector<uint> &molIndexNew,
-                                   const std::vector<uint> &molIndexOld) {
+                                   const std::vector<uint> &molIndexOld,
+                                   bool first_call) {
   // This function should not be called in IDExchange move
   std::cout << "Error: Cached Fourier method cannot be used while "
             << "performing Molecule Exchange move!" << std::endl;

diff --git a/src/EwaldCached.h b/src/EwaldCached.h
@@ -52,7 +52,7 @@ class EwaldCached : public Ewald {
   MolExchangeReciprocal(const std::vector<cbmc::TrialMol> &newMol,
                         const std::vector<cbmc::TrialMol> &oldMol,
                         const std::vector<uint> &molIndexNew,
-                        const std::vector<uint> &molIndexOld);
+                        const std::vector<uint> &molIndexOld, bool first_call);
 
   // It's called in free energy calculation to calculate the change in
   // reciprocal energy in all lambda states