"plugins/vscode:/vscode.git/clone" did not exist on "c456dd54e130151bafe3d5f635ca135ab0c018db"
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:
*
* @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 );
/**
......@@ -205,7 +205,7 @@ public:
* @param multipoleAtomY index of second atom used in constructing lab<->molecular frames
* @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);
/**
......@@ -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) :
charge(charge), axisType(axisType), multipoleAtomZ(multipoleAtomZ), multipoleAtomX(multipoleAtomX), multipoleAtomY(multipoleAtomY),
thole(thole), dampingFactor(dampingFactor), polarity(polarity) {
......
......@@ -75,7 +75,7 @@ public:
* @return the index of the torsion that was added
*/
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.
......@@ -105,7 +105,7 @@ public:
* @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,
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:
ForceImpl* createImpl();
......@@ -153,7 +153,7 @@ public:
particle1 = particle2 = particle3 = particle4 = -1;
_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) {
if( torsion1.size() != AmoebaTorsionForce::ParametersPerTorsion ){
......@@ -181,7 +181,7 @@ public:
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 ){
char buffer[1024];
......
......@@ -133,7 +133,7 @@ public:
* grid[x][y][5] = dfd(xy) value
*/
//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:
ForceImpl* createImpl();
......
......@@ -133,7 +133,7 @@ public:
* @param particleIndex particle index
* @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
......
Markdown is supported
0% or .
You are about to add 0 people to the discussion. Proceed with caution.
Finish editing this message first!
Please register or to comment