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tsoc
openmm
Commits
9111cca0
Commit
9111cca0
authored
Feb 20, 2015
by
peastman
Browse files
Moved reference platform classes into OpenMM namespace
parent
8148f51d
Changes
73
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20 changed files
with
48 additions
and
36 deletions
+48
-36
platforms/cpu/include/CpuLangevinDynamics.h
platforms/cpu/include/CpuLangevinDynamics.h
+2
-2
platforms/reference/include/CpuGBVI.h
platforms/reference/include/CpuGBVI.h
+2
-2
platforms/reference/include/CpuObc.h
platforms/reference/include/CpuObc.h
+2
-2
platforms/reference/include/GBVIParameters.h
platforms/reference/include/GBVIParameters.h
+4
-2
platforms/reference/include/ObcParameters.h
platforms/reference/include/ObcParameters.h
+3
-3
platforms/reference/include/ReferenceAndersenThermostat.h
platforms/reference/include/ReferenceAndersenThermostat.h
+2
-2
platforms/reference/include/ReferenceAngleBondIxn.h
platforms/reference/include/ReferenceAngleBondIxn.h
+2
-2
platforms/reference/include/ReferenceBondForce.h
platforms/reference/include/ReferenceBondForce.h
+2
-2
platforms/reference/include/ReferenceBondIxn.h
platforms/reference/include/ReferenceBondIxn.h
+2
-2
platforms/reference/include/ReferenceBrownianDynamics.h
platforms/reference/include/ReferenceBrownianDynamics.h
+2
-2
platforms/reference/include/ReferenceCCMAAlgorithm.h
platforms/reference/include/ReferenceCCMAAlgorithm.h
+2
-2
platforms/reference/include/ReferenceCMAPTorsionIxn.h
platforms/reference/include/ReferenceCMAPTorsionIxn.h
+3
-1
platforms/reference/include/ReferenceConstraintAlgorithm.h
platforms/reference/include/ReferenceConstraintAlgorithm.h
+3
-1
platforms/reference/include/ReferenceCustomAngleIxn.h
platforms/reference/include/ReferenceCustomAngleIxn.h
+2
-2
platforms/reference/include/ReferenceCustomBondIxn.h
platforms/reference/include/ReferenceCustomBondIxn.h
+2
-2
platforms/reference/include/ReferenceCustomCompoundBondIxn.h
platforms/reference/include/ReferenceCustomCompoundBondIxn.h
+3
-1
platforms/reference/include/ReferenceCustomDynamics.h
platforms/reference/include/ReferenceCustomDynamics.h
+2
-2
platforms/reference/include/ReferenceCustomExternalIxn.h
platforms/reference/include/ReferenceCustomExternalIxn.h
+2
-2
platforms/reference/include/ReferenceCustomGBIxn.h
platforms/reference/include/ReferenceCustomGBIxn.h
+3
-1
platforms/reference/include/ReferenceCustomHbondIxn.h
platforms/reference/include/ReferenceCustomHbondIxn.h
+3
-1
No files found.
platforms/cpu/include/CpuLangevinDynamics.h
View file @
9111cca0
...
@@ -31,7 +31,7 @@
...
@@ -31,7 +31,7 @@
#include "openmm/internal/ThreadPool.h"
#include "openmm/internal/ThreadPool.h"
#include "sfmt/SFMT.h"
#include "sfmt/SFMT.h"
// ---------------------------------------------------------------------------------------
namespace
OpenMM
{
class
CpuLangevinDynamics
:
public
ReferenceStochasticDynamics
{
class
CpuLangevinDynamics
:
public
ReferenceStochasticDynamics
{
public:
public:
...
@@ -95,6 +95,6 @@ private:
...
@@ -95,6 +95,6 @@ private:
OpenMM
::
RealVec
*
xPrime
;
OpenMM
::
RealVec
*
xPrime
;
};
};
//
---------------------------------------------------------------------------------------
}
//
namespace OpenMM
#endif // __CPU_LANGEVIN_DYNAMICS_H__
#endif // __CPU_LANGEVIN_DYNAMICS_H__
platforms/reference/include/CpuGBVI.h
View file @
9111cca0
...
@@ -30,7 +30,7 @@
...
@@ -30,7 +30,7 @@
#include "RealVec.h"
#include "RealVec.h"
#include "GBVIParameters.h"
#include "GBVIParameters.h"
// ---------------------------------------------------------------------------------------
namespace
OpenMM
{
class
CpuGBVI
{
class
CpuGBVI
{
...
@@ -311,6 +311,6 @@ class CpuGBVI {
...
@@ -311,6 +311,6 @@ class CpuGBVI {
};
};
//
---------------------------------------------------------------------------------------
}
//
namespace OpenMM
#endif // __CpuGBVI_H__
#endif // __CpuGBVI_H__
platforms/reference/include/CpuObc.h
View file @
9111cca0
...
@@ -27,7 +27,7 @@
...
@@ -27,7 +27,7 @@
#include "ObcParameters.h"
#include "ObcParameters.h"
// ---------------------------------------------------------------------------------------
namespace
OpenMM
{
class
CpuObc
{
class
CpuObc
{
...
@@ -181,6 +181,6 @@ class CpuObc {
...
@@ -181,6 +181,6 @@ class CpuObc {
};
};
//
---------------------------------------------------------------------------------------
}
//
namespace OpenMM
#endif // __CpuObc_H__
#endif // __CpuObc_H__
platforms/reference/include/GBVIParameters.h
View file @
9111cca0
...
@@ -27,7 +27,7 @@
...
@@ -27,7 +27,7 @@
#include "SimTKOpenMMCommon.h"
#include "SimTKOpenMMCommon.h"
// ---------------------------------------------------------------------------------------
namespace
OpenMM
{
class
GBVIParameters
{
class
GBVIParameters
{
...
@@ -338,4 +338,6 @@ class GBVIParameters {
...
@@ -338,4 +338,6 @@ class GBVIParameters {
};
};
}
// namespace OpenMM
#endif // __GBVIParameters_H__
#endif // __GBVIParameters_H__
platforms/reference/include/ObcParameters.h
View file @
9111cca0
...
@@ -27,7 +27,7 @@
...
@@ -27,7 +27,7 @@
#include "SimTKOpenMMCommon.h"
#include "SimTKOpenMMCommon.h"
// ---------------------------------------------------------------------------------------
namespace
OpenMM
{
class
ObcParameters
{
class
ObcParameters
{
...
@@ -353,6 +353,6 @@ class ObcParameters {
...
@@ -353,6 +353,6 @@ class ObcParameters {
};
};
//
---------------------------------------------------------------------------------------
}
//
namespace OpenMM
#endif // __ObcParameters_H__
#endif // __ObcParameters_H__
platforms/reference/include/ReferenceAndersenThermostat.h
View file @
9111cca0
...
@@ -28,7 +28,7 @@
...
@@ -28,7 +28,7 @@
#include "SimTKOpenMMCommon.h"
#include "SimTKOpenMMCommon.h"
#include <vector>
#include <vector>
// ---------------------------------------------------------------------------------------
namespace
OpenMM
{
class
ReferenceAndersenThermostat
{
class
ReferenceAndersenThermostat
{
...
@@ -70,6 +70,6 @@ class ReferenceAndersenThermostat {
...
@@ -70,6 +70,6 @@ class ReferenceAndersenThermostat {
};
};
//
---------------------------------------------------------------------------------------
}
//
namespace OpenMM
#endif // __ReferenceAndersenThermostat_H__
#endif // __ReferenceAndersenThermostat_H__
platforms/reference/include/ReferenceAngleBondIxn.h
View file @
9111cca0
...
@@ -27,7 +27,7 @@
...
@@ -27,7 +27,7 @@
#include "ReferenceBondIxn.h"
#include "ReferenceBondIxn.h"
// ---------------------------------------------------------------------------------------
namespace
OpenMM
{
class
ReferenceAngleBondIxn
:
public
ReferenceBondIxn
{
class
ReferenceAngleBondIxn
:
public
ReferenceBondIxn
{
...
@@ -86,6 +86,6 @@ class ReferenceAngleBondIxn : public ReferenceBondIxn {
...
@@ -86,6 +86,6 @@ class ReferenceAngleBondIxn : public ReferenceBondIxn {
};
};
//
---------------------------------------------------------------------------------------
}
//
namespace OpenMM
#endif // __ReferenceAngleBondIxn_H__
#endif // __ReferenceAngleBondIxn_H__
platforms/reference/include/ReferenceBondForce.h
View file @
9111cca0
...
@@ -28,7 +28,7 @@
...
@@ -28,7 +28,7 @@
#include "ReferenceForce.h"
#include "ReferenceForce.h"
#include "ReferenceBondIxn.h"
#include "ReferenceBondIxn.h"
// ---------------------------------------------------------------------------------------
namespace
OpenMM
{
class
OPENMM_EXPORT
ReferenceBondForce
:
public
ReferenceForce
{
class
OPENMM_EXPORT
ReferenceBondForce
:
public
ReferenceForce
{
...
@@ -74,6 +74,6 @@ class OPENMM_EXPORT ReferenceBondForce : public ReferenceForce {
...
@@ -74,6 +74,6 @@ class OPENMM_EXPORT ReferenceBondForce : public ReferenceForce {
};
};
//
---------------------------------------------------------------------------------------
}
//
namespace OpenMM
#endif // __ReferenceBondForce_H__
#endif // __ReferenceBondForce_H__
platforms/reference/include/ReferenceBondIxn.h
View file @
9111cca0
...
@@ -29,7 +29,7 @@
...
@@ -29,7 +29,7 @@
#include "openmm/internal/windowsExport.h"
#include "openmm/internal/windowsExport.h"
#include <vector>
#include <vector>
// ---------------------------------------------------------------------------------------
namespace
OpenMM
{
class
OPENMM_EXPORT
ReferenceBondIxn
{
class
OPENMM_EXPORT
ReferenceBondIxn
{
...
@@ -126,6 +126,6 @@ class OPENMM_EXPORT ReferenceBondIxn {
...
@@ -126,6 +126,6 @@ class OPENMM_EXPORT ReferenceBondIxn {
};
};
//
---------------------------------------------------------------------------------------
}
//
namespace OpenMM
#endif // __ReferenceBondIxn_H__
#endif // __ReferenceBondIxn_H__
platforms/reference/include/ReferenceBrownianDynamics.h
View file @
9111cca0
...
@@ -27,7 +27,7 @@
...
@@ -27,7 +27,7 @@
#include "ReferenceDynamics.h"
#include "ReferenceDynamics.h"
// ---------------------------------------------------------------------------------------
namespace
OpenMM
{
class
ReferenceBrownianDynamics
:
public
ReferenceDynamics
{
class
ReferenceBrownianDynamics
:
public
ReferenceDynamics
{
...
@@ -88,6 +88,6 @@ class ReferenceBrownianDynamics : public ReferenceDynamics {
...
@@ -88,6 +88,6 @@ class ReferenceBrownianDynamics : public ReferenceDynamics {
};
};
//
---------------------------------------------------------------------------------------
}
//
namespace OpenMM
#endif // __ReferenceBrownianDynamics_H__
#endif // __ReferenceBrownianDynamics_H__
platforms/reference/include/ReferenceCCMAAlgorithm.h
View file @
9111cca0
...
@@ -30,7 +30,7 @@
...
@@ -30,7 +30,7 @@
#include <vector>
#include <vector>
#include <set>
#include <set>
// ---------------------------------------------------------------------------------------
namespace
OpenMM
{
class
OPENMM_EXPORT
ReferenceCCMAAlgorithm
:
public
ReferenceConstraintAlgorithm
{
class
OPENMM_EXPORT
ReferenceCCMAAlgorithm
:
public
ReferenceConstraintAlgorithm
{
...
@@ -120,6 +120,6 @@ public:
...
@@ -120,6 +120,6 @@ public:
}
}
};
};
//
---------------------------------------------------------------------------------------
}
//
namespace OpenMM
#endif // __ReferenceCCMAAlgorithm_H__
#endif // __ReferenceCCMAAlgorithm_H__
platforms/reference/include/ReferenceCMAPTorsionIxn.h
View file @
9111cca0
...
@@ -30,7 +30,7 @@
...
@@ -30,7 +30,7 @@
#include "ReferenceBondIxn.h"
#include "ReferenceBondIxn.h"
#include <vector>
#include <vector>
// ---------------------------------------------------------------------------------------
namespace
OpenMM
{
class
ReferenceCMAPTorsionIxn
:
public
ReferenceBondIxn
{
class
ReferenceCMAPTorsionIxn
:
public
ReferenceBondIxn
{
...
@@ -92,4 +92,6 @@ public:
...
@@ -92,4 +92,6 @@ public:
};
};
}
// namespace OpenMM
#endif // __ReferenceCMAPTorsionIxn_H__
#endif // __ReferenceCMAPTorsionIxn_H__
platforms/reference/include/ReferenceConstraintAlgorithm.h
View file @
9111cca0
...
@@ -28,6 +28,8 @@
...
@@ -28,6 +28,8 @@
#include "SimTKOpenMMCommon.h"
#include "SimTKOpenMMCommon.h"
#include "openmm/internal/windowsExport.h"
#include "openmm/internal/windowsExport.h"
namespace
OpenMM
{
/**
/**
* This abstract class defines the interface which constraint algorithms must implement.
* This abstract class defines the interface which constraint algorithms must implement.
*/
*/
...
@@ -59,6 +61,6 @@ public:
...
@@ -59,6 +61,6 @@ public:
std
::
vector
<
OpenMM
::
RealVec
>&
velocities
,
std
::
vector
<
RealOpenMM
>&
inverseMasses
,
RealOpenMM
tolerance
)
=
0
;
std
::
vector
<
OpenMM
::
RealVec
>&
velocities
,
std
::
vector
<
RealOpenMM
>&
inverseMasses
,
RealOpenMM
tolerance
)
=
0
;
};
};
//
---------------------------------------------------------------------------------------
}
//
namespace OpenMM
#endif // __ReferenceConstraintAlgorithm_H__
#endif // __ReferenceConstraintAlgorithm_H__
platforms/reference/include/ReferenceCustomAngleIxn.h
View file @
9111cca0
...
@@ -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
ReferenceCustomAngleIxn
:
public
ReferenceBondIxn
{
class
ReferenceCustomAngleIxn
:
public
ReferenceBondIxn
{
...
@@ -78,6 +78,6 @@ class ReferenceCustomAngleIxn : public ReferenceBondIxn {
...
@@ -78,6 +78,6 @@ class ReferenceCustomAngleIxn : public ReferenceBondIxn {
};
};
//
---------------------------------------------------------------------------------------
}
//
namespace OpenMM
#endif // _ReferenceCustomAngleIxn___
#endif // _ReferenceCustomAngleIxn___
platforms/reference/include/ReferenceCustomBondIxn.h
View file @
9111cca0
...
@@ -28,7 +28,7 @@
...
@@ -28,7 +28,7 @@
#include "ReferenceBondIxn.h"
#include "ReferenceBondIxn.h"
#include "lepton/CompiledExpression.h"
#include "lepton/CompiledExpression.h"
// ---------------------------------------------------------------------------------------
namespace
OpenMM
{
class
ReferenceCustomBondIxn
:
public
ReferenceBondIxn
{
class
ReferenceCustomBondIxn
:
public
ReferenceBondIxn
{
...
@@ -79,6 +79,6 @@ class ReferenceCustomBondIxn : public ReferenceBondIxn {
...
@@ -79,6 +79,6 @@ class ReferenceCustomBondIxn : public ReferenceBondIxn {
};
};
//
---------------------------------------------------------------------------------------
}
//
namespace OpenMM
#endif // _ReferenceCustomBondIxn___
#endif // _ReferenceCustomBondIxn___
platforms/reference/include/ReferenceCustomCompoundBondIxn.h
View file @
9111cca0
...
@@ -31,7 +31,7 @@
...
@@ -31,7 +31,7 @@
#include <map>
#include <map>
#include <vector>
#include <vector>
// ---------------------------------------------------------------------------------------
namespace
OpenMM
{
class
ReferenceCustomCompoundBondIxn
:
public
ReferenceBondIxn
{
class
ReferenceCustomCompoundBondIxn
:
public
ReferenceBondIxn
{
...
@@ -169,4 +169,6 @@ public:
...
@@ -169,4 +169,6 @@ public:
}
}
};
};
}
// namespace OpenMM
#endif // __ReferenceCustomCompoundBondIxn_H__
#endif // __ReferenceCustomCompoundBondIxn_H__
platforms/reference/include/ReferenceCustomDynamics.h
View file @
9111cca0
...
@@ -34,7 +34,7 @@
...
@@ -34,7 +34,7 @@
#include <string>
#include <string>
#include <vector>
#include <vector>
// ---------------------------------------------------------------------------------------
namespace
OpenMM
{
class
ReferenceCustomDynamics
:
public
ReferenceDynamics
{
class
ReferenceCustomDynamics
:
public
ReferenceDynamics
{
private:
private:
...
@@ -121,6 +121,6 @@ public:
...
@@ -121,6 +121,6 @@ public:
std
::
map
<
std
::
string
,
RealOpenMM
>&
globals
,
std
::
vector
<
std
::
vector
<
OpenMM
::
RealVec
>
>&
perDof
,
bool
&
forcesAreValid
);
std
::
map
<
std
::
string
,
RealOpenMM
>&
globals
,
std
::
vector
<
std
::
vector
<
OpenMM
::
RealVec
>
>&
perDof
,
bool
&
forcesAreValid
);
};
};
//
---------------------------------------------------------------------------------------
}
//
namespace OpenMM
#endif // __ReferenceCustomDynamics_H__
#endif // __ReferenceCustomDynamics_H__
platforms/reference/include/ReferenceCustomExternalIxn.h
View file @
9111cca0
...
@@ -28,7 +28,7 @@
...
@@ -28,7 +28,7 @@
#include "ReferenceCustomExternalIxn.h"
#include "ReferenceCustomExternalIxn.h"
#include "lepton/CompiledExpression.h"
#include "lepton/CompiledExpression.h"
// ---------------------------------------------------------------------------------------
namespace
OpenMM
{
class
ReferenceCustomExternalIxn
{
class
ReferenceCustomExternalIxn
{
...
@@ -85,6 +85,6 @@ class ReferenceCustomExternalIxn {
...
@@ -85,6 +85,6 @@ class ReferenceCustomExternalIxn {
};
};
//
---------------------------------------------------------------------------------------
}
//
namespace OpenMM
#endif // _ReferenceCustomBondIxn___
#endif // _ReferenceCustomBondIxn___
platforms/reference/include/ReferenceCustomGBIxn.h
View file @
9111cca0
...
@@ -32,7 +32,7 @@
...
@@ -32,7 +32,7 @@
#include <set>
#include <set>
#include <vector>
#include <vector>
// ---------------------------------------------------------------------------------------
namespace
OpenMM
{
class
ReferenceCustomGBIxn
{
class
ReferenceCustomGBIxn
{
...
@@ -290,4 +290,6 @@ class ReferenceCustomGBIxn {
...
@@ -290,4 +290,6 @@ class ReferenceCustomGBIxn {
};
};
}
// namespace OpenMM
#endif // __ReferenceCustomGBIxn_H__
#endif // __ReferenceCustomGBIxn_H__
platforms/reference/include/ReferenceCustomHbondIxn.h
View file @
9111cca0
...
@@ -32,7 +32,7 @@
...
@@ -32,7 +32,7 @@
#include <set>
#include <set>
#include <vector>
#include <vector>
// ---------------------------------------------------------------------------------------
namespace
OpenMM
{
class
ReferenceCustomHbondIxn
:
public
ReferenceBondIxn
{
class
ReferenceCustomHbondIxn
:
public
ReferenceBondIxn
{
...
@@ -198,4 +198,6 @@ public:
...
@@ -198,4 +198,6 @@ public:
}
}
};
};
}
// namespace OpenMM
#endif // __ReferenceCustomHbondIxn_H__
#endif // __ReferenceCustomHbondIxn_H__
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