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Commit 8b2fd81f authored by Mark Friedrichs's avatar Mark Friedrichs
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Added const to signature for input vectors

parent 675d1c10
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Showing with 6 additions and 6 deletions
plugins/amoeba/openmmapi/src/AmoebaMultipoleForce.cpp
View file @ 8b2fd81f
...@@ -144,7 +144,7 @@ void AmoebaMultipoleForce::setEwaldErrorTolerance(double tol) { ...@@ -144,7 +144,7 @@ void AmoebaMultipoleForce::setEwaldErrorTolerance(double tol) {
ewaldErrorTol = tol; ewaldErrorTol = tol;
} }
int AmoebaMultipoleForce::addParticle( double charge, std::vector<double>& molecularDipole, std::vector<double>& molecularQuadrupole, int axisType, int AmoebaMultipoleForce::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) {
multipoles.push_back(MultipoleInfo( charge, molecularDipole, molecularQuadrupole, axisType, multipoleAtomZ, multipoleAtomX, multipoleAtomY, thole, dampingFactor, polarity)); multipoles.push_back(MultipoleInfo( charge, molecularDipole, molecularQuadrupole, axisType, multipoleAtomZ, multipoleAtomX, multipoleAtomY, thole, dampingFactor, polarity));
return multipoles.size()-1; return multipoles.size()-1;
...@@ -180,7 +180,7 @@ void AmoebaMultipoleForce::getMultipoleParameters(int index, double& charge, std ...@@ -180,7 +180,7 @@ void AmoebaMultipoleForce::getMultipoleParameters(int index, double& charge, std
polarity = multipoles[index].polarity; polarity = multipoles[index].polarity;
} }
void AmoebaMultipoleForce::setMultipoleParameters(int index, double charge, std::vector<double>& molecularDipole, std::vector<double>& molecularQuadrupole, void AmoebaMultipoleForce::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 ) {
multipoles[index].charge = charge; multipoles[index].charge = charge;
......
plugins/amoeba/openmmapi/src/AmoebaTorsionForce.cpp
View file @ 8b2fd81f
...@@ -40,7 +40,7 @@ AmoebaTorsionForce::AmoebaTorsionForce() { ...@@ -40,7 +40,7 @@ AmoebaTorsionForce::AmoebaTorsionForce() {
} }
int AmoebaTorsionForce::addTorsion(int particle1, int particle2, int particle3, int particle4, int AmoebaTorsionForce::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 ) {
torsions.push_back(TorsionInfo(particle1, particle2, particle3, particle4, torsion1, torsion2, torsion3)); torsions.push_back(TorsionInfo(particle1, particle2, particle3, particle4, torsion1, torsion2, torsion3));
return torsions.size()-1; return torsions.size()-1;
} }
...@@ -64,7 +64,7 @@ void AmoebaTorsionForce::getTorsionParameters(int index, int& particle1, int& pa ...@@ -64,7 +64,7 @@ void AmoebaTorsionForce::getTorsionParameters(int index, int& particle1, int& pa
} }
void AmoebaTorsionForce::setTorsionParameters(int index, int particle1, int particle2, int particle3, int particle4, void AmoebaTorsionForce::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 ) {
torsions[index].particle1 = particle1; torsions[index].particle1 = particle1;
torsions[index].particle2 = particle2; torsions[index].particle2 = particle2;
......
plugins/amoeba/openmmapi/src/AmoebaTorsionTorsionForce.cpp
View file @ 8b2fd81f
...@@ -72,7 +72,7 @@ const TorsionTorsionGrid& AmoebaTorsionTorsionForce::getTorsionTorsionGrid(int i ...@@ -72,7 +72,7 @@ const TorsionTorsionGrid& AmoebaTorsionTorsionForce::getTorsionTorsionGrid(int i
return torsionTorsionGrids[index].getTorsionTorsionGrid(); return torsionTorsionGrids[index].getTorsionTorsionGrid();
} }
void AmoebaTorsionTorsionForce::setTorsionTorsionGrid(int index, TorsionTorsionGrid& grid ) { void AmoebaTorsionTorsionForce::setTorsionTorsionGrid(int index, const TorsionTorsionGrid& grid ) {
if( index >= torsionTorsionGrids.size() ){ if( index >= torsionTorsionGrids.size() ){
torsionTorsionGrids.resize( index + 1); torsionTorsionGrids.resize( index + 1);
} }
......
plugins/amoeba/openmmapi/src/AmoebaVdwForce.cpp
View file @ 8b2fd81f
...@@ -80,7 +80,7 @@ const std::string& AmoebaVdwForce::getEpsilonCombiningRule( void ) const { ...@@ -80,7 +80,7 @@ const std::string& AmoebaVdwForce::getEpsilonCombiningRule( void ) const {
return epsilonCombiningRule; return epsilonCombiningRule;
} }
void AmoebaVdwForce::setParticleExclusions( int particleIndex, std::vector< int >& inputExclusions ) { void AmoebaVdwForce::setParticleExclusions( int particleIndex, const std::vector< int >& inputExclusions ) {
if( exclusions.size() < parameters.size() ){ if( exclusions.size() < parameters.size() ){
exclusions.resize( parameters.size() ); exclusions.resize( parameters.size() );
......
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