Commit 9111cca0 authored by peastman's avatar peastman
Browse files

Moved reference platform classes into OpenMM namespace

parent 8148f51d
...@@ -33,7 +33,7 @@ ...@@ -33,7 +33,7 @@
#include <set> #include <set>
#include <vector> #include <vector>
// --------------------------------------------------------------------------------------- namespace OpenMM {
class ReferenceCustomManyParticleIxn { class ReferenceCustomManyParticleIxn {
...@@ -192,4 +192,6 @@ public: ...@@ -192,4 +192,6 @@ public:
} }
}; };
} // namespace OpenMM
#endif // __ReferenceCustomManyParticleIxn_H__ #endif // __ReferenceCustomManyParticleIxn_H__
...@@ -33,7 +33,7 @@ ...@@ -33,7 +33,7 @@
#include <utility> #include <utility>
#include <vector> #include <vector>
// --------------------------------------------------------------------------------------- namespace OpenMM {
class ReferenceCustomNonbondedIxn { class ReferenceCustomNonbondedIxn {
...@@ -161,4 +161,6 @@ class ReferenceCustomNonbondedIxn { ...@@ -161,4 +161,6 @@ class ReferenceCustomNonbondedIxn {
}; };
} // namespace OpenMM
#endif // __ReferenceCustomNonbondedxIxn_H__ #endif // __ReferenceCustomNonbondedxIxn_H__
...@@ -27,7 +27,7 @@ ...@@ -27,7 +27,7 @@
#include "ReferenceBondIxn.h" #include "ReferenceBondIxn.h"
#include "lepton/CompiledExpression.h" #include "lepton/CompiledExpression.h"
// --------------------------------------------------------------------------------------- namespace OpenMM {
class ReferenceCustomTorsionIxn : public ReferenceBondIxn { class ReferenceCustomTorsionIxn : public ReferenceBondIxn {
...@@ -78,6 +78,6 @@ class ReferenceCustomTorsionIxn : public ReferenceBondIxn { ...@@ -78,6 +78,6 @@ class ReferenceCustomTorsionIxn : public ReferenceBondIxn {
}; };
// --------------------------------------------------------------------------------------- } // namespace OpenMM
#endif // _ReferenceCustomTorsionIxn___ #endif // _ReferenceCustomTorsionIxn___
...@@ -31,7 +31,7 @@ ...@@ -31,7 +31,7 @@
#include <cstddef> #include <cstddef>
#include <vector> #include <vector>
// --------------------------------------------------------------------------------------- namespace OpenMM {
/**--------------------------------------------------------------------------------------- /**---------------------------------------------------------------------------------------
...@@ -173,6 +173,7 @@ class OPENMM_EXPORT ReferenceDynamics { ...@@ -173,6 +173,7 @@ class OPENMM_EXPORT ReferenceDynamics {
void setReferenceConstraintAlgorithm( ReferenceConstraintAlgorithm* referenceConstraint ); void setReferenceConstraintAlgorithm( ReferenceConstraintAlgorithm* referenceConstraint );
}; };
// --------------------------------------------------------------------------------------- } // namespace OpenMM
#endif // __ReferenceDynamics_H__ #endif // __ReferenceDynamics_H__
...@@ -28,7 +28,7 @@ ...@@ -28,7 +28,7 @@
#include "lepton/CompiledExpression.h" #include "lepton/CompiledExpression.h"
#include "openmm/internal/windowsExport.h" #include "openmm/internal/windowsExport.h"
// --------------------------------------------------------------------------------------- namespace OpenMM {
class OPENMM_EXPORT ReferenceForce { class OPENMM_EXPORT ReferenceForce {
...@@ -126,6 +126,6 @@ class OPENMM_EXPORT ReferenceForce { ...@@ -126,6 +126,6 @@ class OPENMM_EXPORT ReferenceForce {
}; };
// --------------------------------------------------------------------------------------- } // namespace OpenMM
#endif // __ReferenceForce_H__ #endif // __ReferenceForce_H__
...@@ -27,7 +27,7 @@ ...@@ -27,7 +27,7 @@
#include "ReferenceBondIxn.h" #include "ReferenceBondIxn.h"
// --------------------------------------------------------------------------------------- namespace OpenMM {
class ReferenceHarmonicBondIxn : public ReferenceBondIxn { class ReferenceHarmonicBondIxn : public ReferenceBondIxn {
...@@ -70,6 +70,6 @@ class ReferenceHarmonicBondIxn : public ReferenceBondIxn { ...@@ -70,6 +70,6 @@ class ReferenceHarmonicBondIxn : public ReferenceBondIxn {
}; };
// --------------------------------------------------------------------------------------- } // namespace OpenMM
#endif // _ReferenceHarmonicBondIxn___ #endif // _ReferenceHarmonicBondIxn___
...@@ -39,6 +39,8 @@ ...@@ -39,6 +39,8 @@
#include "lepton/CompiledExpression.h" #include "lepton/CompiledExpression.h"
#include "lepton/ExpressionProgram.h" #include "lepton/ExpressionProgram.h"
namespace OpenMM {
class CpuObc; class CpuObc;
class CpuGBVI; class CpuGBVI;
class ReferenceAndersenThermostat; class ReferenceAndersenThermostat;
...@@ -54,8 +56,6 @@ class ReferenceVariableVerletDynamics; ...@@ -54,8 +56,6 @@ class ReferenceVariableVerletDynamics;
class ReferenceVerletDynamics; class ReferenceVerletDynamics;
class ReferenceCustomDynamics; class ReferenceCustomDynamics;
namespace OpenMM {
/** /**
* This kernel is invoked at the beginning and end of force and energy computations. It gives the * This kernel is invoked at the beginning and end of force and energy computations. It gives the
* Platform a chance to clear buffers and do other initialization at the beginning, and to do any * Platform a chance to clear buffers and do other initialization at the beginning, and to do any
......
...@@ -28,7 +28,7 @@ ...@@ -28,7 +28,7 @@
#include "ReferenceBondIxn.h" #include "ReferenceBondIxn.h"
#include "openmm/internal/windowsExport.h" #include "openmm/internal/windowsExport.h"
// --------------------------------------------------------------------------------------- namespace OpenMM {
class OPENMM_EXPORT ReferenceLJCoulomb14 : public ReferenceBondIxn { class OPENMM_EXPORT ReferenceLJCoulomb14 : public ReferenceBondIxn {
...@@ -68,6 +68,6 @@ class OPENMM_EXPORT ReferenceLJCoulomb14 : public ReferenceBondIxn { ...@@ -68,6 +68,6 @@ class OPENMM_EXPORT ReferenceLJCoulomb14 : public ReferenceBondIxn {
}; };
// --------------------------------------------------------------------------------------- } // namespace OpenMM
#endif // __ReferenceLJCoulomb14_H__ #endif // __ReferenceLJCoulomb14_H__
...@@ -28,7 +28,7 @@ ...@@ -28,7 +28,7 @@
#include "ReferencePairIxn.h" #include "ReferencePairIxn.h"
#include "ReferenceNeighborList.h" #include "ReferenceNeighborList.h"
// --------------------------------------------------------------------------------------- namespace OpenMM {
class ReferenceLJCoulombIxn { class ReferenceLJCoulombIxn {
...@@ -197,6 +197,6 @@ private: ...@@ -197,6 +197,6 @@ private:
RealOpenMM* energyByAtom, RealOpenMM* totalEnergy, bool includeDirect, bool includeReciprocal) const; RealOpenMM* energyByAtom, RealOpenMM* totalEnergy, bool includeDirect, bool includeReciprocal) const;
}; };
// --------------------------------------------------------------------------------------- } // namespace OpenMM
#endif // __ReferenceLJCoulombIxn_H__ #endif // __ReferenceLJCoulombIxn_H__
...@@ -28,7 +28,7 @@ ...@@ -28,7 +28,7 @@
#include "SimTKOpenMMRealType.h" #include "SimTKOpenMMRealType.h"
#include <vector> #include <vector>
// --------------------------------------------------------------------------------------- namespace OpenMM {
class ReferenceLincsAlgorithm : public ReferenceConstraintAlgorithm { class ReferenceLincsAlgorithm : public ReferenceConstraintAlgorithm {
...@@ -157,6 +157,6 @@ class ReferenceLincsAlgorithm : public ReferenceConstraintAlgorithm { ...@@ -157,6 +157,6 @@ class ReferenceLincsAlgorithm : public ReferenceConstraintAlgorithm {
std::vector<OpenMM::RealVec>& velocities, std::vector<RealOpenMM>& inverseMasses); std::vector<OpenMM::RealVec>& velocities, std::vector<RealOpenMM>& inverseMasses);
}; };
// --------------------------------------------------------------------------------------- } // namespace OpenMM
#endif // __ReferenceLincsAlgorithm_H__ #endif // __ReferenceLincsAlgorithm_H__
...@@ -29,7 +29,7 @@ ...@@ -29,7 +29,7 @@
#include <utility> #include <utility>
#include <vector> #include <vector>
// --------------------------------------------------------------------------------------- namespace OpenMM {
class ReferenceMonteCarloBarostat { class ReferenceMonteCarloBarostat {
...@@ -82,6 +82,6 @@ class ReferenceMonteCarloBarostat { ...@@ -82,6 +82,6 @@ class ReferenceMonteCarloBarostat {
}; };
// --------------------------------------------------------------------------------------- } // namespace OpenMM
#endif // __ReferenceMonteCarloBarostat_H__ #endif // __ReferenceMonteCarloBarostat_H__
...@@ -29,10 +29,15 @@ ...@@ -29,10 +29,15 @@
* POSSIBILITY OF SUCH DAMAGE. * POSSIBILITY OF SUCH DAMAGE.
*/ */
#ifndef __ReferencePME_H__
#define __ReferencePME_H__
#include "SimTKOpenMMCommon.h" #include "SimTKOpenMMCommon.h"
#include "openmm/internal/windowsExport.h" #include "openmm/internal/windowsExport.h"
#include <vector> #include <vector>
namespace OpenMM {
typedef RealOpenMM rvec[3]; typedef RealOpenMM rvec[3];
...@@ -86,3 +91,7 @@ pme_exec(pme_t pme, ...@@ -86,3 +91,7 @@ pme_exec(pme_t pme,
/* Release all memory in pme structure */ /* Release all memory in pme structure */
int OPENMM_EXPORT int OPENMM_EXPORT
pme_destroy(pme_t pme); pme_destroy(pme_t pme);
} // namespace OpenMM
#endif // __ReferencePME_H__
\ No newline at end of file
...@@ -28,7 +28,7 @@ ...@@ -28,7 +28,7 @@
#include "RealVec.h" #include "RealVec.h"
#include "openmm/internal/windowsExport.h" #include "openmm/internal/windowsExport.h"
// --------------------------------------------------------------------------------------- namespace OpenMM {
class OPENMM_EXPORT ReferencePairIxn { class OPENMM_EXPORT ReferencePairIxn {
...@@ -74,6 +74,6 @@ class OPENMM_EXPORT ReferencePairIxn { ...@@ -74,6 +74,6 @@ class OPENMM_EXPORT ReferencePairIxn {
}; };
// --------------------------------------------------------------------------------------- } // namespace OpenMM
#endif // __ReferencePairIxn_H__ #endif // __ReferencePairIxn_H__
...@@ -27,7 +27,7 @@ ...@@ -27,7 +27,7 @@
#include "ReferenceBondIxn.h" #include "ReferenceBondIxn.h"
// --------------------------------------------------------------------------------------- namespace OpenMM {
class OPENMM_EXPORT ReferenceProperDihedralBond : public ReferenceBondIxn { class OPENMM_EXPORT ReferenceProperDihedralBond : public ReferenceBondIxn {
...@@ -71,6 +71,6 @@ class OPENMM_EXPORT ReferenceProperDihedralBond : public ReferenceBondIxn { ...@@ -71,6 +71,6 @@ class OPENMM_EXPORT ReferenceProperDihedralBond : public ReferenceBondIxn {
}; };
// --------------------------------------------------------------------------------------- } // namespace OpenMM
#endif // __ReferenceProperDihedralBond_H__ #endif // __ReferenceProperDihedralBond_H__
...@@ -27,7 +27,7 @@ ...@@ -27,7 +27,7 @@
#include "ReferenceBondIxn.h" #include "ReferenceBondIxn.h"
// --------------------------------------------------------------------------------------- namespace OpenMM {
class OPENMM_EXPORT ReferenceRbDihedralBond : public ReferenceBondIxn { class OPENMM_EXPORT ReferenceRbDihedralBond : public ReferenceBondIxn {
...@@ -69,6 +69,6 @@ class OPENMM_EXPORT ReferenceRbDihedralBond : public ReferenceBondIxn { ...@@ -69,6 +69,6 @@ class OPENMM_EXPORT ReferenceRbDihedralBond : public ReferenceBondIxn {
}; };
// --------------------------------------------------------------------------------------- } // namespace OpenMM
#endif // __ReferenceRbDihedralBond_H__ #endif // __ReferenceRbDihedralBond_H__
...@@ -28,7 +28,7 @@ ...@@ -28,7 +28,7 @@
#include "ReferenceDynamics.h" #include "ReferenceDynamics.h"
#include "openmm/internal/windowsExport.h" #include "openmm/internal/windowsExport.h"
// --------------------------------------------------------------------------------------- namespace OpenMM {
class OPENMM_EXPORT ReferenceStochasticDynamics : public ReferenceDynamics { class OPENMM_EXPORT ReferenceStochasticDynamics : public ReferenceDynamics {
...@@ -120,6 +120,6 @@ class OPENMM_EXPORT ReferenceStochasticDynamics : public ReferenceDynamics { ...@@ -120,6 +120,6 @@ class OPENMM_EXPORT ReferenceStochasticDynamics : public ReferenceDynamics {
}; };
// --------------------------------------------------------------------------------------- } // namespace OpenMM
#endif // __ReferenceStochasticDynamics_H__ #endif // __ReferenceStochasticDynamics_H__
...@@ -27,7 +27,7 @@ ...@@ -27,7 +27,7 @@
#include "ReferenceDynamics.h" #include "ReferenceDynamics.h"
// --------------------------------------------------------------------------------------- namespace OpenMM {
class ReferenceVariableStochasticDynamics : public ReferenceDynamics { class ReferenceVariableStochasticDynamics : public ReferenceDynamics {
...@@ -142,6 +142,6 @@ class ReferenceVariableStochasticDynamics : public ReferenceDynamics { ...@@ -142,6 +142,6 @@ class ReferenceVariableStochasticDynamics : public ReferenceDynamics {
}; };
// --------------------------------------------------------------------------------------- } // namespace OpenMM
#endif // __ReferenceVariableStochasticDynamics_H__ #endif // __ReferenceVariableStochasticDynamics_H__
...@@ -27,7 +27,7 @@ ...@@ -27,7 +27,7 @@
#include "ReferenceDynamics.h" #include "ReferenceDynamics.h"
// --------------------------------------------------------------------------------------- namespace OpenMM {
class ReferenceVariableVerletDynamics : public ReferenceDynamics { class ReferenceVariableVerletDynamics : public ReferenceDynamics {
...@@ -95,6 +95,6 @@ class ReferenceVariableVerletDynamics : public ReferenceDynamics { ...@@ -95,6 +95,6 @@ class ReferenceVariableVerletDynamics : public ReferenceDynamics {
}; };
// --------------------------------------------------------------------------------------- } // namespace OpenMM
#endif // __ReferenceVariableVerletDynamics_H__ #endif // __ReferenceVariableVerletDynamics_H__
...@@ -27,7 +27,7 @@ ...@@ -27,7 +27,7 @@
#include "ReferenceDynamics.h" #include "ReferenceDynamics.h"
// --------------------------------------------------------------------------------------- namespace OpenMM {
class ReferenceVerletDynamics : public ReferenceDynamics { class ReferenceVerletDynamics : public ReferenceDynamics {
...@@ -77,6 +77,6 @@ class ReferenceVerletDynamics : public ReferenceDynamics { ...@@ -77,6 +77,6 @@ class ReferenceVerletDynamics : public ReferenceDynamics {
}; };
// --------------------------------------------------------------------------------------- } // namespace OpenMM
#endif // __ReferenceVerletDynamics_H__ #endif // __ReferenceVerletDynamics_H__
...@@ -36,6 +36,8 @@ ...@@ -36,6 +36,8 @@
#include "RealVec.h" #include "RealVec.h"
#include <vector> #include <vector>
namespace OpenMM {
class OPENMM_EXPORT ReferenceVirtualSites { class OPENMM_EXPORT ReferenceVirtualSites {
public: public:
/** /**
...@@ -48,4 +50,6 @@ public: ...@@ -48,4 +50,6 @@ public:
static void distributeForces(const OpenMM::System& system, const std::vector<OpenMM::RealVec>& atomCoordinates, std::vector<OpenMM::RealVec>& forces); static void distributeForces(const OpenMM::System& system, const std::vector<OpenMM::RealVec>& atomCoordinates, std::vector<OpenMM::RealVec>& forces);
}; };
} // namespace OpenMM
#endif // __ReferenceVirtualSites_H__ #endif // __ReferenceVirtualSites_H__
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