Commit 675d1c10 authored by Mark Friedrichs's avatar Mark Friedrichs
Browse files

Added const to signature for input vectors

parent e34f0b33
...@@ -171,7 +171,7 @@ public: ...@@ -171,7 +171,7 @@ public:
* *
* @return the index of the particle that was added * @return the index of the particle that was added
*/ */
int addParticle( double charge, std::vector<double>& molecularDipole, std::vector<double>& molecularQuadrupole, int axisType, int addParticle( double charge, const std::vector<double>& molecularDipole, const std::vector<double>& molecularQuadrupole, int axisType,
int multipoleAtomZ, int multipoleAtomX, int multipoleAtomY, double thole, double dampingFactor, double polarity ); int multipoleAtomZ, int multipoleAtomX, int multipoleAtomY, double thole, double dampingFactor, double polarity );
/** /**
...@@ -205,7 +205,7 @@ public: ...@@ -205,7 +205,7 @@ public:
* @param multipoleAtomY index of second atom used in constructing lab<->molecular frames * @param multipoleAtomY index of second atom used in constructing lab<->molecular frames
* @param polarity polarity parameter * @param polarity polarity parameter
*/ */
void setMultipoleParameters(int index, double charge, std::vector<double>& molecularDipole, std::vector<double>& molecularQuadrupole, void setMultipoleParameters(int index, double charge, const std::vector<double>& molecularDipole, const std::vector<double>& molecularQuadrupole,
int axisType, int multipoleAtomZ, int multipoleAtomX, int multipoleAtomY, double thole, double dampingFactor, double polarity); int axisType, int multipoleAtomZ, int multipoleAtomX, int multipoleAtomY, double thole, double dampingFactor, double polarity);
/** /**
...@@ -357,7 +357,7 @@ public: ...@@ -357,7 +357,7 @@ public:
} }
MultipoleInfo( double charge, std::vector<double>& inputMolecularDipole, std::vector<double>& inputMolecularQuadrupole, MultipoleInfo( double charge, const std::vector<double>& inputMolecularDipole, const std::vector<double>& inputMolecularQuadrupole,
int axisType, int multipoleAtomZ, int multipoleAtomX, int multipoleAtomY, double thole, double dampingFactor, double polarity) : int axisType, int multipoleAtomZ, int multipoleAtomX, int multipoleAtomY, double thole, double dampingFactor, double polarity) :
charge(charge), axisType(axisType), multipoleAtomZ(multipoleAtomZ), multipoleAtomX(multipoleAtomX), multipoleAtomY(multipoleAtomY), charge(charge), axisType(axisType), multipoleAtomZ(multipoleAtomZ), multipoleAtomX(multipoleAtomX), multipoleAtomY(multipoleAtomY),
thole(thole), dampingFactor(dampingFactor), polarity(polarity) { thole(thole), dampingFactor(dampingFactor), polarity(polarity) {
......
...@@ -75,7 +75,7 @@ public: ...@@ -75,7 +75,7 @@ public:
* @return the index of the torsion that was added * @return the index of the torsion that was added
*/ */
int addTorsion(int particle1, int particle2, int particle3, int particle4, int addTorsion(int particle1, int particle2, int particle3, int particle4,
std::vector<double>& torsion1, std::vector<double>& torsion2, std::vector<double>& torsion3 ); const std::vector<double>& torsion1, const std::vector<double>& torsion2, const std::vector<double>& torsion3 );
/** /**
* Get the force field parameters for a torsion term. * Get the force field parameters for a torsion term.
...@@ -105,7 +105,7 @@ public: ...@@ -105,7 +105,7 @@ public:
* @param torsion3 the vector of torsion params for third index (amplitude, phase, fold) * @param torsion3 the vector of torsion params for third index (amplitude, phase, fold)
*/ */
void setTorsionParameters(int index, int particle1, int particle2, int particle3, int particle4, void setTorsionParameters(int index, int particle1, int particle2, int particle3, int particle4,
std::vector<double>& torsion1, std::vector<double>& torsion2, std::vector<double>& torsion3 ); const std::vector<double>& torsion1, const std::vector<double>& torsion2, const std::vector<double>& torsion3 );
protected: protected:
ForceImpl* createImpl(); ForceImpl* createImpl();
...@@ -153,7 +153,7 @@ public: ...@@ -153,7 +153,7 @@ public:
particle1 = particle2 = particle3 = particle4 = -1; particle1 = particle2 = particle3 = particle4 = -1;
_initialize(); _initialize();
} }
TorsionInfo(int particle1, int particle2, int particle3, int particle4, std::vector<double>& torsion1, std::vector<double>& torsion2, std::vector<double>& torsion3 ) : TorsionInfo(int particle1, int particle2, int particle3, int particle4, const std::vector<double>& torsion1, const std::vector<double>& torsion2, const std::vector<double>& torsion3 ) :
particle1(particle1), particle2(particle2), particle3(particle3), particle4(particle4) { particle1(particle1), particle2(particle2), particle3(particle3), particle4(particle4) {
if( torsion1.size() != AmoebaTorsionForce::ParametersPerTorsion ){ if( torsion1.size() != AmoebaTorsionForce::ParametersPerTorsion ){
...@@ -181,7 +181,7 @@ public: ...@@ -181,7 +181,7 @@ public:
torsionParameters[2][ii] = torsion3[ii]; torsionParameters[2][ii] = torsion3[ii];
} }
} }
int copyTorsionParameter(int index, std::vector<double>& torsionParameter ) { int copyTorsionParameter(int index, const std::vector<double>& torsionParameter ) {
if( torsionParameter.size() != AmoebaTorsionForce::ParametersPerTorsion ){ if( torsionParameter.size() != AmoebaTorsionForce::ParametersPerTorsion ){
char buffer[1024]; char buffer[1024];
......
...@@ -133,7 +133,7 @@ public: ...@@ -133,7 +133,7 @@ public:
* grid[x][y][5] = dfd(xy) value * grid[x][y][5] = dfd(xy) value
*/ */
//void setTorsionTorsionGrid(int index, TorsionTorsionGrid& grid ); //void setTorsionTorsionGrid(int index, TorsionTorsionGrid& grid );
void setTorsionTorsionGrid(int index, std::vector< std::vector< std::vector<double> > >& grid ); void setTorsionTorsionGrid(int index, const std::vector< std::vector< std::vector<double> > >& grid );
protected: protected:
ForceImpl* createImpl(); ForceImpl* createImpl();
......
...@@ -133,7 +133,7 @@ public: ...@@ -133,7 +133,7 @@ public:
* @param particleIndex particle index * @param particleIndex particle index
* @param exclusions output vector of exclusions * @param exclusions output vector of exclusions
*/ */
void setParticleExclusions( int particleIndex, std::vector< int >& exclusions ); void setParticleExclusions( int particleIndex, const std::vector< int >& exclusions );
/** /**
* Get exclusions for specified particle * Get exclusions for specified particle
......
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