Commit 2f921936 authored by Peter Eastman's avatar Peter Eastman
Browse files

Fixed compilation warnings on Windows

parent 3f248310
...@@ -42,7 +42,7 @@ namespace OpenMM { ...@@ -42,7 +42,7 @@ namespace OpenMM {
* KernelImpls as needed. * KernelImpls as needed.
*/ */
class KernelFactory { class OPENMM_EXPORT KernelFactory {
public: public:
/** /**
* Create a KernelImpl. * Create a KernelImpl.
......
...@@ -32,6 +32,7 @@ ...@@ -32,6 +32,7 @@
* USE OR OTHER DEALINGS IN THE SOFTWARE. * * USE OR OTHER DEALINGS IN THE SOFTWARE. *
* -------------------------------------------------------------------------- */ * -------------------------------------------------------------------------- */
#include "openmm/internal/windowsExport.h"
#include <map> #include <map>
#include <string> #include <string>
#include <vector> #include <vector>
...@@ -52,7 +53,7 @@ class ContextImpl; ...@@ -52,7 +53,7 @@ class ContextImpl;
* ForceImpl subclass. * ForceImpl subclass.
*/ */
class ForceImpl { class OPENMM_EXPORT ForceImpl {
public: public:
virtual ~ForceImpl() { virtual ~ForceImpl() {
} }
......
...@@ -191,9 +191,9 @@ void ReferenceUpdateStateDataKernel::setPositions(ContextImpl& context, const st ...@@ -191,9 +191,9 @@ void ReferenceUpdateStateDataKernel::setPositions(ContextImpl& context, const st
int numParticles = context.getSystem().getNumParticles(); int numParticles = context.getSystem().getNumParticles();
RealOpenMM** posData = extractPositions(context); RealOpenMM** posData = extractPositions(context);
for (int i = 0; i < numParticles; ++i) { for (int i = 0; i < numParticles; ++i) {
posData[i][0] = positions[i][0]; posData[i][0] = (RealOpenMM) positions[i][0];
posData[i][1] = positions[i][1]; posData[i][1] = (RealOpenMM) positions[i][1];
posData[i][2] = positions[i][2]; posData[i][2] = (RealOpenMM) positions[i][2];
} }
} }
...@@ -209,9 +209,9 @@ void ReferenceUpdateStateDataKernel::setVelocities(ContextImpl& context, const s ...@@ -209,9 +209,9 @@ void ReferenceUpdateStateDataKernel::setVelocities(ContextImpl& context, const s
int numParticles = context.getSystem().getNumParticles(); int numParticles = context.getSystem().getNumParticles();
RealOpenMM** velData = extractVelocities(context); RealOpenMM** velData = extractVelocities(context);
for (int i = 0; i < numParticles; ++i) { for (int i = 0; i < numParticles; ++i) {
velData[i][0] = velocities[i][0]; velData[i][0] = (RealOpenMM) velocities[i][0];
velData[i][1] = velocities[i][1]; velData[i][1] = (RealOpenMM) velocities[i][1];
velData[i][2] = velocities[i][2]; velData[i][2] = (RealOpenMM) velocities[i][2];
} }
} }
...@@ -540,12 +540,12 @@ void ReferenceCalcNonbondedForceKernel::initialize(const System& system, const N ...@@ -540,12 +540,12 @@ void ReferenceCalcNonbondedForceKernel::initialize(const System& system, const N
if (nonbondedMethod == Ewald) { if (nonbondedMethod == Ewald) {
double alpha; double alpha;
NonbondedForceImpl::calcEwaldParameters(system, force, alpha, kmax[0], kmax[1], kmax[2]); NonbondedForceImpl::calcEwaldParameters(system, force, alpha, kmax[0], kmax[1], kmax[2]);
ewaldAlpha = alpha; ewaldAlpha = (RealOpenMM) alpha;
} }
else if (nonbondedMethod == PME) { else if (nonbondedMethod == PME) {
double alpha; double alpha;
NonbondedForceImpl::calcPMEParameters(system, force, alpha, gridSize[0], gridSize[1], gridSize[2]); NonbondedForceImpl::calcPMEParameters(system, force, alpha, gridSize[0], gridSize[1], gridSize[2]);
ewaldAlpha = alpha; ewaldAlpha = (RealOpenMM) alpha;
} }
rfDielectric = (RealOpenMM)force.getReactionFieldDielectric(); rfDielectric = (RealOpenMM)force.getReactionFieldDielectric();
} }
......
...@@ -512,7 +512,7 @@ pme_reciprocal_convolution(pme_t pme, ...@@ -512,7 +512,7 @@ pme_reciprocal_convolution(pme_t pme,
pme_virial[1][2] = pme_virial[2][1] = (RealOpenMM) (0.25*viryz); pme_virial[1][2] = pme_virial[2][1] = (RealOpenMM) (0.25*viryz);
/* The factor 0.5 is nothing special, but it is better to have it here than inside the loop :-) */ /* The factor 0.5 is nothing special, but it is better to have it here than inside the loop :-) */
*energy = 0.5*esum; *energy = (RealOpenMM) (0.5*esum);
} }
......
...@@ -25,10 +25,12 @@ ...@@ -25,10 +25,12 @@
#ifndef __ReferenceConstraintAlgorithm_H__ #ifndef __ReferenceConstraintAlgorithm_H__
#define __ReferenceConstraintAlgorithm_H__ #define __ReferenceConstraintAlgorithm_H__
#include "openmm/internal/windowsExport.h"
/** /**
* This abstract class defines the interface which constraint algorithms must implement. * This abstract class defines the interface which constraint algorithms must implement.
*/ */
class ReferenceConstraintAlgorithm { class OPENMM_EXPORT ReferenceConstraintAlgorithm {
public: public:
virtual ~ReferenceConstraintAlgorithm() {}; virtual ~ReferenceConstraintAlgorithm() {};
......
...@@ -218,7 +218,7 @@ void ReferenceCustomGBIxn::calculateOnePairValue(int index, int atom1, int atom2 ...@@ -218,7 +218,7 @@ void ReferenceCustomGBIxn::calculateOnePairValue(int index, int atom1, int atom2
if (cutoff && r >= cutoffDistance) if (cutoff && r >= cutoffDistance)
return; return;
map<string, double> variables = globalParameters; map<string, double> variables = globalParameters;
for (int i = 0; i < paramNames.size(); i++) { for (int i = 0; i < (int) paramNames.size(); i++) {
variables[particleParamNames[i*2]] = atomParameters[atom1][i]; variables[particleParamNames[i*2]] = atomParameters[atom1][i];
variables[particleParamNames[i*2+1]] = atomParameters[atom2][i]; variables[particleParamNames[i*2+1]] = atomParameters[atom2][i];
} }
...@@ -289,7 +289,7 @@ void ReferenceCustomGBIxn::calculateOnePairEnergyTerm(int index, int atom1, int ...@@ -289,7 +289,7 @@ void ReferenceCustomGBIxn::calculateOnePairEnergyTerm(int index, int atom1, int
// Record variables for evaluating expressions. // Record variables for evaluating expressions.
map<string, double> variables = globalParameters; map<string, double> variables = globalParameters;
for (int i = 0; i < paramNames.size(); i++) { for (int i = 0; i < (int) paramNames.size(); i++) {
variables[particleParamNames[i*2]] = atomParameters[atom1][i]; variables[particleParamNames[i*2]] = atomParameters[atom1][i];
variables[particleParamNames[i*2+1]] = atomParameters[atom2][i]; variables[particleParamNames[i*2+1]] = atomParameters[atom2][i];
} }
...@@ -361,7 +361,7 @@ void ReferenceCustomGBIxn::calculateOnePairChainRule(int atom1, int atom2, RealO ...@@ -361,7 +361,7 @@ void ReferenceCustomGBIxn::calculateOnePairChainRule(int atom1, int atom2, RealO
// Record variables for evaluating expressions. // Record variables for evaluating expressions.
map<string, double> variables = globalParameters; map<string, double> variables = globalParameters;
for (int i = 0; i < paramNames.size(); i++) { for (int i = 0; i < (int) paramNames.size(); i++) {
variables[particleParamNames[i*2]] = atomParameters[atom1][i]; variables[particleParamNames[i*2]] = atomParameters[atom1][i];
variables[particleParamNames[i*2+1]] = atomParameters[atom2][i]; variables[particleParamNames[i*2+1]] = atomParameters[atom2][i];
} }
...@@ -379,7 +379,7 @@ void ReferenceCustomGBIxn::calculateOnePairChainRule(int atom1, int atom2, RealO ...@@ -379,7 +379,7 @@ void ReferenceCustomGBIxn::calculateOnePairChainRule(int atom1, int atom2, RealO
forces[atom2][i] += f; forces[atom2][i] += f;
} }
variables = globalParameters; variables = globalParameters;
for (int i = 0; i < paramNames.size(); i++) for (int i = 0; i < (int) paramNames.size(); i++)
variables[paramNames[i]] = atomParameters[atom1][i]; variables[paramNames[i]] = atomParameters[atom1][i];
variables[valueNames[0]] = values[0][atom1]; variables[valueNames[0]] = values[0][atom1];
for (int i = 1; i < (int) valueNames.size(); i++) { for (int i = 1; i < (int) valueNames.size(); i++) {
......
...@@ -433,7 +433,7 @@ RealOpenMM CpuGBVI::computeBornEnergy( const RealOpenMM* bornRadii, RealOpenMM** ...@@ -433,7 +433,7 @@ RealOpenMM CpuGBVI::computeBornEnergy( const RealOpenMM* bornRadii, RealOpenMM**
static const RealOpenMM half = (RealOpenMM) 0.5; static const RealOpenMM half = (RealOpenMM) 0.5;
static const RealOpenMM fourth = (RealOpenMM) 0.25; static const RealOpenMM fourth = (RealOpenMM) 0.25;
static const RealOpenMM eighth = (RealOpenMM) 0.125; static const RealOpenMM eighth = (RealOpenMM) 0.125;
static const RealOpenMM CAL_TO_JOULE = 0.4184; static const RealOpenMM CAL_TO_JOULE = (RealOpenMM) 0.4184;
// --------------------------------------------------------------------------------------- // ---------------------------------------------------------------------------------------
...@@ -551,7 +551,7 @@ int CpuGBVI::computeBornForces( const RealOpenMM* bornRadii, RealOpenMM** atomCo ...@@ -551,7 +551,7 @@ int CpuGBVI::computeBornForces( const RealOpenMM* bornRadii, RealOpenMM** atomCo
static const RealOpenMM oneThird = (RealOpenMM) (1.0/3.0); static const RealOpenMM oneThird = (RealOpenMM) (1.0/3.0);
static const RealOpenMM fourth = (RealOpenMM) 0.25; static const RealOpenMM fourth = (RealOpenMM) 0.25;
static const RealOpenMM eighth = (RealOpenMM) 0.125; static const RealOpenMM eighth = (RealOpenMM) 0.125;
static const RealOpenMM CAL_TO_JOULE = 0.4184; static const RealOpenMM CAL_TO_JOULE = (RealOpenMM) 0.4184;
// --------------------------------------------------------------------------------------- // ---------------------------------------------------------------------------------------
......
...@@ -118,7 +118,7 @@ ObcSoftcoreParameters::ObcSoftcoreParameters( int numberOfAtoms, ObcSoftcorePara ...@@ -118,7 +118,7 @@ ObcSoftcoreParameters::ObcSoftcoreParameters( int numberOfAtoms, ObcSoftcorePara
_nonPolarScaleFactors = NULL; _nonPolarScaleFactors = NULL;
_nonPolarPreFactor = 2.25936; _nonPolarPreFactor = (RealOpenMM) 2.25936;
setObcTypeParameters( obcType ); setObcTypeParameters( obcType );
......
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