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tsoc
openmm
Commits
7f6c8bbc
Commit
7f6c8bbc
authored
Sep 18, 2010
by
Peter Eastman
Browse files
Beginnings of serialization support
parent
2584685c
Changes
17
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17 changed files
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serialization/include/openmm/serialization/HarmonicBondForceProxy.h
...ion/include/openmm/serialization/HarmonicBondForceProxy.h
+53
-0
serialization/include/openmm/serialization/SerializationNode.h
...lization/include/openmm/serialization/SerializationNode.h
+89
-0
serialization/include/openmm/serialization/SerializationProxy.h
...ization/include/openmm/serialization/SerializationProxy.h
+64
-0
serialization/include/openmm/serialization/SystemProxy.h
serialization/include/openmm/serialization/SystemProxy.h
+53
-0
serialization/include/openmm/serialization/XmlSerializer.h
serialization/include/openmm/serialization/XmlSerializer.h
+74
-0
serialization/src/HarmonicBondForceProxy.cpp
serialization/src/HarmonicBondForceProxy.cpp
+57
-0
serialization/src/SerializationNode.cpp
serialization/src/SerializationNode.cpp
+151
-0
serialization/src/SerializationProxy.cpp
serialization/src/SerializationProxy.cpp
+66
-0
serialization/src/SystemProxy.cpp
serialization/src/SystemProxy.cpp
+96
-0
serialization/src/XmlSerializer.cpp
serialization/src/XmlSerializer.cpp
+76
-0
serialization/src/tinyxml.cpp
serialization/src/tinyxml.cpp
+1839
-0
serialization/src/tinyxml.h
serialization/src/tinyxml.h
+1799
-0
serialization/src/tinyxmlerror.cpp
serialization/src/tinyxmlerror.cpp
+52
-0
serialization/src/tinyxmlparser.cpp
serialization/src/tinyxmlparser.cpp
+1635
-0
serialization/tests/CMakeLists.txt
serialization/tests/CMakeLists.txt
+17
-0
serialization/tests/TestSerializationNode.cpp
serialization/tests/TestSerializationNode.cpp
+89
-0
serialization/tests/TestSerializeSystem.cpp
serialization/tests/TestSerializeSystem.cpp
+106
-0
No files found.
serialization/include/openmm/serialization/HarmonicBondForceProxy.h
0 → 100644
View file @
7f6c8bbc
#ifndef OPENMM_HARMONICBONDFORCE_PROXY_H_
#define OPENMM_HARMONICBONDFORCE_PROXY_H_
/* -------------------------------------------------------------------------- *
* OpenMM *
* -------------------------------------------------------------------------- *
* This is part of the OpenMM molecular simulation toolkit originating from *
* Simbios, the NIH National Center for Physics-Based Simulation of *
* Biological Structures at Stanford, funded under the NIH Roadmap for *
* Medical Research, grant U54 GM072970. See https://simtk.org. *
* *
* Portions copyright (c) 2010 Stanford University and the Authors. *
* Authors: Peter Eastman *
* Contributors: *
* *
* Permission is hereby granted, free of charge, to any person obtaining a *
* copy of this software and associated documentation files (the "Software"), *
* to deal in the Software without restriction, including without limitation *
* the rights to use, copy, modify, merge, publish, distribute, sublicense, *
* and/or sell copies of the Software, and to permit persons to whom the *
* Software is furnished to do so, subject to the following conditions: *
* *
* The above copyright notice and this permission notice shall be included in *
* all copies or substantial portions of the Software. *
* *
* THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR *
* IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, *
* FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL *
* THE AUTHORS, CONTRIBUTORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, *
* DAMAGES OR OTHER LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR *
* OTHERWISE, ARISING FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE *
* USE OR OTHER DEALINGS IN THE SOFTWARE. *
* -------------------------------------------------------------------------- */
#include "openmm/internal/windowsExport.h"
#include "openmm/serialization/SerializationProxy.h"
namespace
OpenMM
{
/**
* This is a proxy for serializing HarmonicBondForce objects.
*/
class
OPENMM_EXPORT
HarmonicBondForceProxy
:
public
SerializationProxy
{
public:
HarmonicBondForceProxy
();
void
serialize
(
const
void
*
object
,
SerializationNode
&
node
)
const
;
void
*
deserialize
(
const
SerializationNode
&
node
)
const
;
};
}
// namespace OpenMM
#endif
/*OPENMM_HARMONICBONDFORCE_PROXY_H_*/
serialization/include/openmm/serialization/SerializationNode.h
0 → 100644
View file @
7f6c8bbc
#ifndef OPENMM_SERIALIZATIONNODE_H_
#define OPENMM_SERIALIZATIONNODE_H_
/* -------------------------------------------------------------------------- *
* OpenMM *
* -------------------------------------------------------------------------- *
* This is part of the OpenMM molecular simulation toolkit originating from *
* Simbios, the NIH National Center for Physics-Based Simulation of *
* Biological Structures at Stanford, funded under the NIH Roadmap for *
* Medical Research, grant U54 GM072970. See https://simtk.org. *
* *
* Portions copyright (c) 2010 Stanford University and the Authors. *
* Authors: Peter Eastman *
* Contributors: *
* *
* Permission is hereby granted, free of charge, to any person obtaining a *
* copy of this software and associated documentation files (the "Software"), *
* to deal in the Software without restriction, including without limitation *
* the rights to use, copy, modify, merge, publish, distribute, sublicense, *
* and/or sell copies of the Software, and to permit persons to whom the *
* Software is furnished to do so, subject to the following conditions: *
* *
* The above copyright notice and this permission notice shall be included in *
* all copies or substantial portions of the Software. *
* *
* THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR *
* IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, *
* FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL *
* THE AUTHORS, CONTRIBUTORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, *
* DAMAGES OR OTHER LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR *
* OTHERWISE, ARISING FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE *
* USE OR OTHER DEALINGS IN THE SOFTWARE. *
* -------------------------------------------------------------------------- */
#include "openmm/serialization/SerializationProxy.h"
#include "openmm/OpenMMException.h"
#include "openmm/internal/windowsExport.h"
#include <map>
#include <string>
#include <vector>
namespace
OpenMM
{
/**
*/
class
OPENMM_EXPORT
SerializationNode
{
public:
const
std
::
string
&
getName
()
const
;
void
setName
(
const
std
::
string
&
name
);
const
std
::
vector
<
SerializationNode
>&
getChildren
()
const
;
std
::
vector
<
SerializationNode
>&
getChildren
();
const
SerializationNode
&
getChildNode
(
const
std
::
string
&
name
)
const
;
SerializationNode
&
getChildNode
(
const
std
::
string
&
name
);
const
std
::
map
<
std
::
string
,
std
::
string
>&
getProperties
()
const
;
bool
hasProperty
(
const
std
::
string
&
name
)
const
;
const
std
::
string
&
getStringProperty
(
const
std
::
string
&
name
)
const
;
const
std
::
string
&
getStringProperty
(
const
std
::
string
&
name
,
const
std
::
string
&
defaultValue
)
const
;
SerializationNode
&
setStringProperty
(
const
std
::
string
&
name
,
const
std
::
string
&
value
);
int
getIntProperty
(
const
std
::
string
&
name
)
const
;
int
getIntProperty
(
const
std
::
string
&
name
,
int
defaultValue
)
const
;
SerializationNode
&
setIntProperty
(
const
std
::
string
&
name
,
int
value
);
double
getDoubleProperty
(
const
std
::
string
&
name
)
const
;
double
getDoubleProperty
(
const
std
::
string
&
name
,
double
defaultValue
)
const
;
SerializationNode
&
setDoubleProperty
(
const
std
::
string
&
name
,
double
value
);
SerializationNode
&
createChildNode
(
const
std
::
string
&
name
);
template
<
class
T
>
SerializationNode
&
createChildNode
(
const
std
::
string
&
name
,
const
T
*
object
)
{
const
SerializationProxy
&
proxy
=
SerializationProxy
::
getProxy
(
typeid
(
*
object
));
SerializationNode
&
node
=
createChildNode
(
name
);
proxy
.
serialize
(
object
,
node
);
if
(
node
.
hasProperty
(
"type"
))
throw
OpenMMException
(
proxy
.
getTypeName
()
+
" created node with reserved property 'type'"
);
node
.
setStringProperty
(
"type"
,
proxy
.
getTypeName
());
return
node
;
}
template
<
class
T
>
T
*
decodeObject
()
const
{
return
reinterpret_cast
<
T
*>
(
SerializationProxy
::
getProxy
(
getStringProperty
(
"type"
)).
deserialize
(
*
this
));
}
private:
std
::
string
name
;
std
::
vector
<
SerializationNode
>
children
;
std
::
map
<
std
::
string
,
std
::
string
>
properties
;
};
}
// namespace OpenMM
#endif
/*OPENMM_SERIALIZATIONNODE_H_*/
serialization/include/openmm/serialization/SerializationProxy.h
0 → 100644
View file @
7f6c8bbc
#ifndef OPENMM_SERIALIZATIONPROXY_H_
#define OPENMM_SERIALIZATIONPROXY_H_
/* -------------------------------------------------------------------------- *
* OpenMM *
* -------------------------------------------------------------------------- *
* This is part of the OpenMM molecular simulation toolkit originating from *
* Simbios, the NIH National Center for Physics-Based Simulation of *
* Biological Structures at Stanford, funded under the NIH Roadmap for *
* Medical Research, grant U54 GM072970. See https://simtk.org. *
* *
* Portions copyright (c) 2010 Stanford University and the Authors. *
* Authors: Peter Eastman *
* Contributors: *
* *
* Permission is hereby granted, free of charge, to any person obtaining a *
* copy of this software and associated documentation files (the "Software"), *
* to deal in the Software without restriction, including without limitation *
* the rights to use, copy, modify, merge, publish, distribute, sublicense, *
* and/or sell copies of the Software, and to permit persons to whom the *
* Software is furnished to do so, subject to the following conditions: *
* *
* The above copyright notice and this permission notice shall be included in *
* all copies or substantial portions of the Software. *
* *
* THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR *
* IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, *
* FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL *
* THE AUTHORS, CONTRIBUTORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, *
* DAMAGES OR OTHER LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR *
* OTHERWISE, ARISING FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE *
* USE OR OTHER DEALINGS IN THE SOFTWARE. *
* -------------------------------------------------------------------------- */
#include "openmm/internal/windowsExport.h"
#include <map>
#include <string>
#include <typeinfo>
namespace
OpenMM
{
class
SerializationNode
;
/**
*/
class
OPENMM_EXPORT
SerializationProxy
{
public:
SerializationProxy
(
const
std
::
string
&
typeName
);
const
std
::
string
&
getTypeName
()
const
;
virtual
void
serialize
(
const
void
*
object
,
SerializationNode
&
node
)
const
=
0
;
virtual
void
*
deserialize
(
const
SerializationNode
&
node
)
const
=
0
;
static
void
registerProxy
(
const
std
::
type_info
&
type
,
const
SerializationProxy
*
proxy
);
static
const
SerializationProxy
&
getProxy
(
const
std
::
string
&
typeName
);
static
const
SerializationProxy
&
getProxy
(
const
std
::
type_info
&
type
);
private:
std
::
string
typeName
;
static
std
::
map
<
const
std
::
type_info
*
,
const
SerializationProxy
*>
proxiesByType
;
static
std
::
map
<
const
std
::
string
,
const
SerializationProxy
*>
proxiesByName
;
};
}
// namespace OpenMM
#endif
/*OPENMM_SERIALIZATIONPROXY_H_*/
serialization/include/openmm/serialization/SystemProxy.h
0 → 100644
View file @
7f6c8bbc
#ifndef OPENMM_SYSTEM_PROXY_H_
#define OPENMM_SYSTEM_PROXY_H_
/* -------------------------------------------------------------------------- *
* OpenMM *
* -------------------------------------------------------------------------- *
* This is part of the OpenMM molecular simulation toolkit originating from *
* Simbios, the NIH National Center for Physics-Based Simulation of *
* Biological Structures at Stanford, funded under the NIH Roadmap for *
* Medical Research, grant U54 GM072970. See https://simtk.org. *
* *
* Portions copyright (c) 2010 Stanford University and the Authors. *
* Authors: Peter Eastman *
* Contributors: *
* *
* Permission is hereby granted, free of charge, to any person obtaining a *
* copy of this software and associated documentation files (the "Software"), *
* to deal in the Software without restriction, including without limitation *
* the rights to use, copy, modify, merge, publish, distribute, sublicense, *
* and/or sell copies of the Software, and to permit persons to whom the *
* Software is furnished to do so, subject to the following conditions: *
* *
* The above copyright notice and this permission notice shall be included in *
* all copies or substantial portions of the Software. *
* *
* THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR *
* IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, *
* FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL *
* THE AUTHORS, CONTRIBUTORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, *
* DAMAGES OR OTHER LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR *
* OTHERWISE, ARISING FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE *
* USE OR OTHER DEALINGS IN THE SOFTWARE. *
* -------------------------------------------------------------------------- */
#include "openmm/internal/windowsExport.h"
#include "openmm/serialization/SerializationProxy.h"
namespace
OpenMM
{
/**
* This is a proxy for serializing System objects.
*/
class
OPENMM_EXPORT
SystemProxy
:
public
SerializationProxy
{
public:
SystemProxy
();
void
serialize
(
const
void
*
object
,
SerializationNode
&
node
)
const
;
void
*
deserialize
(
const
SerializationNode
&
node
)
const
;
};
}
// namespace OpenMM
#endif
/*OPENMM_SYSTEM_PROXY_H_*/
serialization/include/openmm/serialization/XmlSerializer.h
0 → 100644
View file @
7f6c8bbc
#ifndef OPENMM_XML_SERIALIZER_H_
#define OPENMM_XML_SERIALIZER_H_
/* -------------------------------------------------------------------------- *
* OpenMM *
* -------------------------------------------------------------------------- *
* This is part of the OpenMM molecular simulation toolkit originating from *
* Simbios, the NIH National Center for Physics-Based Simulation of *
* Biological Structures at Stanford, funded under the NIH Roadmap for *
* Medical Research, grant U54 GM072970. See https://simtk.org. *
* *
* Portions copyright (c) 2010 Stanford University and the Authors. *
* Authors: Peter Eastman *
* Contributors: *
* *
* Permission is hereby granted, free of charge, to any person obtaining a *
* copy of this software and associated documentation files (the "Software"), *
* to deal in the Software without restriction, including without limitation *
* the rights to use, copy, modify, merge, publish, distribute, sublicense, *
* and/or sell copies of the Software, and to permit persons to whom the *
* Software is furnished to do so, subject to the following conditions: *
* *
* The above copyright notice and this permission notice shall be included in *
* all copies or substantial portions of the Software. *
* *
* THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR *
* IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, *
* FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL *
* THE AUTHORS, CONTRIBUTORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, *
* DAMAGES OR OTHER LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR *
* OTHERWISE, ARISING FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE *
* USE OR OTHER DEALINGS IN THE SOFTWARE. *
* -------------------------------------------------------------------------- */
#include "openmm/serialization/SerializationNode.h"
#include "openmm/serialization/SerializationProxy.h"
#include "openmm/OpenMMException.h"
#include "openmm/internal/windowsExport.h"
#include <iosfwd>
class
TiXmlElement
;
namespace
OpenMM
{
/**
*/
class
OPENMM_EXPORT
XmlSerializer
{
public:
template
<
class
T
>
static
void
serialize
(
const
T
*
object
,
const
std
::
string
&
rootName
,
std
::
ostream
&
stream
)
{
const
SerializationProxy
&
proxy
=
SerializationProxy
::
getProxy
(
typeid
(
*
object
));
SerializationNode
node
;
node
.
setName
(
rootName
);
proxy
.
serialize
(
object
,
node
);
if
(
node
.
hasProperty
(
"type"
))
throw
OpenMMException
(
proxy
.
getTypeName
()
+
" created node with reserved property 'type'"
);
node
.
setStringProperty
(
"type"
,
proxy
.
getTypeName
());
return
serialize
(
node
,
stream
);
}
template
<
class
T
>
static
T
*
deserialize
(
std
::
istream
&
stream
)
{
return
reinterpret_cast
<
T
*>
(
deserializeStream
(
stream
));
}
private:
static
void
serialize
(
const
SerializationNode
&
node
,
std
::
ostream
&
stream
);
static
void
*
deserializeStream
(
std
::
istream
&
stream
);
static
TiXmlElement
*
encodeNode
(
const
SerializationNode
&
node
);
static
SerializationNode
*
decodeNode
(
SerializationNode
&
node
,
const
TiXmlElement
&
element
);
};
}
// namespace OpenMM
#endif
/*OPENMM_XML_SERIALIZER_H_*/
serialization/src/HarmonicBondForceProxy.cpp
0 → 100644
View file @
7f6c8bbc
/* -------------------------------------------------------------------------- *
* OpenMM *
* -------------------------------------------------------------------------- *
* This is part of the OpenMM molecular simulation toolkit originating from *
* Simbios, the NIH National Center for Physics-Based Simulation of *
* Biological Structures at Stanford, funded under the NIH Roadmap for *
* Medical Research, grant U54 GM072970. See https://simtk.org. *
* *
* Portions copyright (c) 2010 Stanford University and the Authors. *
* Authors: Peter Eastman *
* Contributors: *
* *
* Permission is hereby granted, free of charge, to any person obtaining a *
* copy of this software and associated documentation files (the "Software"), *
* to deal in the Software without restriction, including without limitation *
* the rights to use, copy, modify, merge, publish, distribute, sublicense, *
* and/or sell copies of the Software, and to permit persons to whom the *
* Software is furnished to do so, subject to the following conditions: *
* *
* The above copyright notice and this permission notice shall be included in *
* all copies or substantial portions of the Software. *
* *
* THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR *
* IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, *
* FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL *
* THE AUTHORS, CONTRIBUTORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, *
* DAMAGES OR OTHER LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR *
* OTHERWISE, ARISING FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE *
* USE OR OTHER DEALINGS IN THE SOFTWARE. *
* -------------------------------------------------------------------------- */
#include "openmm/serialization/HarmonicBondForceProxy.h"
#include "openmm/serialization/SerializationNode.h"
#include "openmm/Force.h"
#include "openmm/HarmonicBondForce.h"
#include <sstream>
using
namespace
OpenMM
;
using
namespace
std
;
HarmonicBondForceProxy
::
HarmonicBondForceProxy
()
:
SerializationProxy
(
"HarmonicBondForce"
)
{
}
void
HarmonicBondForceProxy
::
serialize
(
const
void
*
object
,
SerializationNode
&
node
)
const
{
const
HarmonicBondForce
&
force
=
*
reinterpret_cast
<
const
HarmonicBondForce
*>
(
object
);
SerializationNode
&
bonds
=
node
.
createChildNode
(
"Bonds"
);
for
(
int
i
=
0
;
i
<
force
.
getNumBonds
();
i
++
)
{
int
particle1
,
particle2
;
double
distance
,
k
;
force
.
getBondParameters
(
i
,
particle1
,
particle2
,
distance
,
k
);
bonds
.
createChildNode
(
"Bond"
).
setIntProperty
(
"p1"
,
particle1
).
setIntProperty
(
"p2"
,
particle2
).
setDoubleProperty
(
"d"
,
distance
).
setDoubleProperty
(
"k"
,
k
);
}
}
void
*
HarmonicBondForceProxy
::
deserialize
(
const
SerializationNode
&
node
)
const
{
return
new
HarmonicBondForce
();
}
serialization/src/SerializationNode.cpp
0 → 100644
View file @
7f6c8bbc
/* -------------------------------------------------------------------------- *
* OpenMM *
* -------------------------------------------------------------------------- *
* This is part of the OpenMM molecular simulation toolkit originating from *
* Simbios, the NIH National Center for Physics-Based Simulation of *
* Biological Structures at Stanford, funded under the NIH Roadmap for *
* Medical Research, grant U54 GM072970. See https://simtk.org. *
* *
* Portions copyright (c) 2010 Stanford University and the Authors. *
* Authors: Peter Eastman *
* Contributors: *
* *
* Permission is hereby granted, free of charge, to any person obtaining a *
* copy of this software and associated documentation files (the "Software"), *
* to deal in the Software without restriction, including without limitation *
* the rights to use, copy, modify, merge, publish, distribute, sublicense, *
* and/or sell copies of the Software, and to permit persons to whom the *
* Software is furnished to do so, subject to the following conditions: *
* *
* The above copyright notice and this permission notice shall be included in *
* all copies or substantial portions of the Software. *
* *
* THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR *
* IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, *
* FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL *
* THE AUTHORS, CONTRIBUTORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, *
* DAMAGES OR OTHER LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR *
* OTHERWISE, ARISING FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE *
* USE OR OTHER DEALINGS IN THE SOFTWARE. *
* -------------------------------------------------------------------------- */
#include "openmm/serialization/SerializationNode.h"
#include "openmm/OpenMMException.h"
#include <sstream>
using
namespace
OpenMM
;
using
namespace
std
;
const
string
&
SerializationNode
::
getName
()
const
{
return
name
;
}
void
SerializationNode
::
setName
(
const
string
&
name
)
{
this
->
name
=
name
;
}
const
vector
<
SerializationNode
>&
SerializationNode
::
getChildren
()
const
{
return
children
;
}
vector
<
SerializationNode
>&
SerializationNode
::
getChildren
()
{
return
children
;
}
const
SerializationNode
&
SerializationNode
::
getChildNode
(
const
std
::
string
&
name
)
const
{
for
(
int
i
=
0
;
i
<
(
int
)
children
.
size
();
i
++
)
if
(
children
[
i
].
name
==
name
)
return
children
[
i
];
throw
OpenMMException
(
"Unknown child '"
+
name
+
"' for node '"
+
getName
()
+
"'"
);
}
SerializationNode
&
SerializationNode
::
getChildNode
(
const
std
::
string
&
name
)
{
for
(
int
i
=
0
;
i
<
(
int
)
children
.
size
();
i
++
)
if
(
children
[
i
].
name
==
name
)
return
children
[
i
];
throw
OpenMMException
(
"Unknown child '"
+
name
+
"' for node '"
+
getName
()
+
"'"
);
}
const
map
<
string
,
string
>&
SerializationNode
::
getProperties
()
const
{
return
properties
;
}
bool
SerializationNode
::
hasProperty
(
const
string
&
name
)
const
{
return
(
properties
.
find
(
name
)
!=
properties
.
end
());
}
const
string
&
SerializationNode
::
getStringProperty
(
const
string
&
name
)
const
{
map
<
string
,
string
>::
const_iterator
iter
=
properties
.
find
(
name
);
if
(
iter
==
properties
.
end
())
throw
OpenMMException
(
"Unknown property '"
+
name
+
"' in node '"
+
getName
()
+
"'"
);
return
iter
->
second
;
}
const
string
&
SerializationNode
::
getStringProperty
(
const
string
&
name
,
const
string
&
defaultValue
)
const
{
map
<
string
,
string
>::
const_iterator
iter
=
properties
.
find
(
name
);
if
(
iter
==
properties
.
end
())
return
defaultValue
;
return
iter
->
second
;
}
SerializationNode
&
SerializationNode
::
setStringProperty
(
const
string
&
name
,
const
string
&
value
)
{
properties
[
name
]
=
value
;
return
*
this
;
}
int
SerializationNode
::
getIntProperty
(
const
string
&
name
)
const
{
map
<
string
,
string
>::
const_iterator
iter
=
properties
.
find
(
name
);
if
(
iter
==
properties
.
end
())
throw
OpenMMException
(
"Unknown property '"
+
name
+
"' in node '"
+
getName
()
+
"'"
);
int
value
;
stringstream
(
iter
->
second
)
>>
value
;
return
value
;
}
int
SerializationNode
::
getIntProperty
(
const
string
&
name
,
int
defaultValue
)
const
{
map
<
string
,
string
>::
const_iterator
iter
=
properties
.
find
(
name
);
if
(
iter
==
properties
.
end
())
return
defaultValue
;
int
value
;
stringstream
(
iter
->
second
)
>>
value
;
return
value
;
}
SerializationNode
&
SerializationNode
::
setIntProperty
(
const
string
&
name
,
int
value
)
{
stringstream
s
;
s
<<
value
;
properties
[
name
]
=
s
.
str
();
return
*
this
;
}
double
SerializationNode
::
getDoubleProperty
(
const
string
&
name
)
const
{
map
<
string
,
string
>::
const_iterator
iter
=
properties
.
find
(
name
);
if
(
iter
==
properties
.
end
())
throw
OpenMMException
(
"Unknown property '"
+
name
+
"' in node '"
+
getName
()
+
"'"
);
double
value
;
stringstream
(
iter
->
second
)
>>
value
;
return
value
;
}
double
SerializationNode
::
getDoubleProperty
(
const
string
&
name
,
double
defaultValue
)
const
{
map
<
string
,
string
>::
const_iterator
iter
=
properties
.
find
(
name
);
if
(
iter
==
properties
.
end
())
return
defaultValue
;
double
value
;
stringstream
(
iter
->
second
)
>>
value
;
return
value
;
}
SerializationNode
&
SerializationNode
::
setDoubleProperty
(
const
string
&
name
,
double
value
)
{
stringstream
s
;
s
.
precision
(
16
);
s
<<
value
;
properties
[
name
]
=
s
.
str
();
return
*
this
;
}
SerializationNode
&
SerializationNode
::
createChildNode
(
const
std
::
string
&
name
)
{
children
.
push_back
(
SerializationNode
());
children
.
back
().
setName
(
name
);
return
children
.
back
();
}
serialization/src/SerializationProxy.cpp
0 → 100644
View file @
7f6c8bbc
/* -------------------------------------------------------------------------- *
* OpenMM *
* -------------------------------------------------------------------------- *
* This is part of the OpenMM molecular simulation toolkit originating from *
* Simbios, the NIH National Center for Physics-Based Simulation of *
* Biological Structures at Stanford, funded under the NIH Roadmap for *
* Medical Research, grant U54 GM072970. See https://simtk.org. *
* *
* Portions copyright (c) 2010 Stanford University and the Authors. *
* Authors: Peter Eastman *
* Contributors: *
* *
* Permission is hereby granted, free of charge, to any person obtaining a *
* copy of this software and associated documentation files (the "Software"), *
* to deal in the Software without restriction, including without limitation *
* the rights to use, copy, modify, merge, publish, distribute, sublicense, *
* and/or sell copies of the Software, and to permit persons to whom the *
* Software is furnished to do so, subject to the following conditions: *
* *
* The above copyright notice and this permission notice shall be included in *
* all copies or substantial portions of the Software. *
* *
* THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR *
* IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, *
* FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL *
* THE AUTHORS, CONTRIBUTORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, *
* DAMAGES OR OTHER LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR *
* OTHERWISE, ARISING FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE *
* USE OR OTHER DEALINGS IN THE SOFTWARE. *
* -------------------------------------------------------------------------- */
#include "openmm/serialization/SerializationProxy.h"
#include "openmm/OpenMMException.h"
#include <typeinfo>
using
namespace
OpenMM
;
using
namespace
std
;
map
<
const
type_info
*
,
const
SerializationProxy
*>
SerializationProxy
::
proxiesByType
;
map
<
const
string
,
const
SerializationProxy
*>
SerializationProxy
::
proxiesByName
;
SerializationProxy
::
SerializationProxy
(
const
string
&
typeName
)
:
typeName
(
typeName
)
{
}
const
string
&
SerializationProxy
::
getTypeName
()
const
{
return
typeName
;
}
void
SerializationProxy
::
registerProxy
(
const
type_info
&
type
,
const
SerializationProxy
*
proxy
)
{
proxiesByType
[
&
type
]
=
proxy
;
proxiesByName
[
proxy
->
getTypeName
()]
=
proxy
;
}
const
SerializationProxy
&
SerializationProxy
::
getProxy
(
const
string
&
typeName
)
{
map
<
string
,
const
SerializationProxy
*>::
const_iterator
iter
=
proxiesByName
.
find
(
typeName
);
if
(
iter
==
proxiesByName
.
end
())
throw
OpenMMException
(
"There is no serialization proxy registered for type '"
+
string
(
typeName
)
+
"'"
);
return
*
iter
->
second
;
}
const
SerializationProxy
&
SerializationProxy
::
getProxy
(
const
type_info
&
type
)
{
map
<
const
type_info
*
,
const
SerializationProxy
*>::
const_iterator
iter
=
proxiesByType
.
find
(
&
type
);
if
(
iter
==
proxiesByType
.
end
())
throw
OpenMMException
(
"There is no serialization proxy registered for type "
+
string
(
type
.
name
()));
return
*
iter
->
second
;
}
serialization/src/SystemProxy.cpp
0 → 100644
View file @
7f6c8bbc
/* -------------------------------------------------------------------------- *
* OpenMM *
* -------------------------------------------------------------------------- *
* This is part of the OpenMM molecular simulation toolkit originating from *
* Simbios, the NIH National Center for Physics-Based Simulation of *
* Biological Structures at Stanford, funded under the NIH Roadmap for *
* Medical Research, grant U54 GM072970. See https://simtk.org. *
* *
* Portions copyright (c) 2010 Stanford University and the Authors. *
* Authors: Peter Eastman *
* Contributors: *
* *
* Permission is hereby granted, free of charge, to any person obtaining a *
* copy of this software and associated documentation files (the "Software"), *
* to deal in the Software without restriction, including without limitation *
* the rights to use, copy, modify, merge, publish, distribute, sublicense, *
* and/or sell copies of the Software, and to permit persons to whom the *
* Software is furnished to do so, subject to the following conditions: *
* *
* The above copyright notice and this permission notice shall be included in *
* all copies or substantial portions of the Software. *
* *
* THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR *
* IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, *
* FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL *
* THE AUTHORS, CONTRIBUTORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, *
* DAMAGES OR OTHER LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR *
* OTHERWISE, ARISING FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE *
* USE OR OTHER DEALINGS IN THE SOFTWARE. *
* -------------------------------------------------------------------------- */
#include "openmm/serialization/SystemProxy.h"
#include "openmm/serialization/SerializationNode.h"
#include "openmm/Force.h"
#include "openmm/System.h"
#include <sstream>
using
namespace
OpenMM
;
using
namespace
std
;
SystemProxy
::
SystemProxy
()
:
SerializationProxy
(
"System"
)
{
}
void
SystemProxy
::
serialize
(
const
void
*
object
,
SerializationNode
&
node
)
const
{
const
System
&
system
=
*
reinterpret_cast
<
const
System
*>
(
object
);
Vec3
a
,
b
,
c
;
system
.
getDefaultPeriodicBoxVectors
(
a
,
b
,
c
);
SerializationNode
&
box
=
node
.
createChildNode
(
"PeriodicBoxVectors"
);
box
.
createChildNode
(
"A"
).
setDoubleProperty
(
"x"
,
a
[
0
]).
setDoubleProperty
(
"y"
,
a
[
1
]).
setDoubleProperty
(
"z"
,
a
[
2
]);
box
.
createChildNode
(
"B"
).
setDoubleProperty
(
"x"
,
b
[
0
]).
setDoubleProperty
(
"y"
,
b
[
1
]).
setDoubleProperty
(
"z"
,
b
[
2
]);
box
.
createChildNode
(
"C"
).
setDoubleProperty
(
"x"
,
c
[
0
]).
setDoubleProperty
(
"y"
,
c
[
1
]).
setDoubleProperty
(
"z"
,
c
[
2
]);
SerializationNode
&
particles
=
node
.
createChildNode
(
"Particles"
);
for
(
int
i
=
0
;
i
<
system
.
getNumParticles
();
i
++
)
particles
.
createChildNode
(
"Particle"
).
setDoubleProperty
(
"mass"
,
system
.
getParticleMass
(
i
));
SerializationNode
&
constraints
=
node
.
createChildNode
(
"Constraints"
);
for
(
int
i
=
0
;
i
<
system
.
getNumConstraints
();
i
++
)
{
int
particle1
,
particle2
;
double
distance
;
system
.
getConstraintParameters
(
i
,
particle1
,
particle2
,
distance
);
constraints
.
createChildNode
(
"Constraint"
).
setIntProperty
(
"p1"
,
particle1
).
setIntProperty
(
"p2"
,
particle2
).
setDoubleProperty
(
"d"
,
distance
);
}
SerializationNode
&
forces
=
node
.
createChildNode
(
"Forces"
);
for
(
int
i
=
0
;
i
<
system
.
getNumForces
();
i
++
)
forces
.
createChildNode
(
"Force"
,
&
system
.
getForce
(
i
));
}
void
*
SystemProxy
::
deserialize
(
const
SerializationNode
&
node
)
const
{
System
*
system
=
new
System
();
try
{
const
SerializationNode
&
box
=
node
.
getChildNode
(
"PeriodicBoxVectors"
);
const
SerializationNode
&
boxa
=
box
.
getChildNode
(
"A"
);
const
SerializationNode
&
boxb
=
box
.
getChildNode
(
"B"
);
const
SerializationNode
&
boxc
=
box
.
getChildNode
(
"C"
);
Vec3
a
(
boxa
.
getDoubleProperty
(
"x"
),
boxa
.
getDoubleProperty
(
"y"
),
boxa
.
getDoubleProperty
(
"z"
));
Vec3
b
(
boxb
.
getDoubleProperty
(
"x"
),
boxb
.
getDoubleProperty
(
"y"
),
boxb
.
getDoubleProperty
(
"z"
));
Vec3
c
(
boxc
.
getDoubleProperty
(
"x"
),
boxc
.
getDoubleProperty
(
"y"
),
boxc
.
getDoubleProperty
(
"z"
));
system
->
setDefaultPeriodicBoxVectors
(
a
,
b
,
c
);
const
SerializationNode
&
particles
=
node
.
getChildNode
(
"Particles"
);
for
(
int
i
=
0
;
i
<
(
int
)
particles
.
getChildren
().
size
();
i
++
)
system
->
addParticle
(
particles
.
getChildren
()[
i
].
getDoubleProperty
(
"mass"
));
const
SerializationNode
&
constraints
=
node
.
getChildNode
(
"Constraints"
);
for
(
int
i
=
0
;
i
<
(
int
)
constraints
.
getChildren
().
size
();
i
++
)
{
const
SerializationNode
&
constraint
=
constraints
.
getChildren
()[
i
];
system
->
addConstraint
(
constraint
.
getDoubleProperty
(
"p1"
),
constraint
.
getDoubleProperty
(
"p2"
),
constraint
.
getDoubleProperty
(
"d"
));
}
const
SerializationNode
&
forces
=
node
.
getChildNode
(
"Forces"
);
for
(
int
i
=
0
;
i
<
(
int
)
forces
.
getChildren
().
size
();
i
++
)
{
system
->
addForce
(
forces
.
getChildren
()[
i
].
decodeObject
<
Force
>
());
}
}
catch
(...)
{
delete
system
;
throw
;
}
return
system
;
}
\ No newline at end of file
serialization/src/XmlSerializer.cpp
0 → 100644
View file @
7f6c8bbc
/* -------------------------------------------------------------------------- *
* OpenMM *
* -------------------------------------------------------------------------- *
* This is part of the OpenMM molecular simulation toolkit originating from *
* Simbios, the NIH National Center for Physics-Based Simulation of *
* Biological Structures at Stanford, funded under the NIH Roadmap for *
* Medical Research, grant U54 GM072970. See https://simtk.org. *
* *
* Portions copyright (c) 2010 Stanford University and the Authors. *
* Authors: Peter Eastman *
* Contributors: *
* *
* Permission is hereby granted, free of charge, to any person obtaining a *
* copy of this software and associated documentation files (the "Software"), *
* to deal in the Software without restriction, including without limitation *
* the rights to use, copy, modify, merge, publish, distribute, sublicense, *
* and/or sell copies of the Software, and to permit persons to whom the *
* Software is furnished to do so, subject to the following conditions: *
* *
* The above copyright notice and this permission notice shall be included in *
* all copies or substantial portions of the Software. *
* *
* THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR *
* IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, *
* FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL *
* THE AUTHORS, CONTRIBUTORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, *
* DAMAGES OR OTHER LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR *
* OTHERWISE, ARISING FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE *
* USE OR OTHER DEALINGS IN THE SOFTWARE. *
* -------------------------------------------------------------------------- */
#include "openmm/serialization/XmlSerializer.h"
#include "tinyxml.h"
using
namespace
OpenMM
;
using
namespace
std
;
void
XmlSerializer
::
serialize
(
const
SerializationNode
&
node
,
std
::
ostream
&
stream
)
{
TiXmlDocument
doc
;
TiXmlDeclaration
*
decl
=
new
TiXmlDeclaration
(
"1.0"
,
""
,
""
);
doc
.
LinkEndChild
(
decl
);
doc
.
LinkEndChild
(
encodeNode
(
node
));
TiXmlPrinter
printer
;
printer
.
SetIndent
(
"
\t
"
);
doc
.
Accept
(
&
printer
);
stream
<<
printer
.
Str
();
}
TiXmlElement
*
XmlSerializer
::
encodeNode
(
const
SerializationNode
&
node
)
{
TiXmlElement
*
element
=
new
TiXmlElement
(
node
.
getName
());
const
map
<
string
,
string
>&
properties
=
node
.
getProperties
();
for
(
map
<
string
,
string
>::
const_iterator
iter
=
properties
.
begin
();
iter
!=
properties
.
end
();
++
iter
)
element
->
SetAttribute
(
iter
->
first
.
c_str
(),
iter
->
second
.
c_str
());
const
vector
<
SerializationNode
>&
children
=
node
.
getChildren
();
for
(
int
i
=
0
;
i
<
(
int
)
children
.
size
();
i
++
)
element
->
LinkEndChild
(
encodeNode
(
children
[
i
]));
return
element
;
}
void
*
XmlSerializer
::
deserializeStream
(
std
::
istream
&
stream
)
{
TiXmlDocument
doc
;
stream
>>
doc
;
SerializationNode
root
;
decodeNode
(
root
,
*
doc
.
FirstChildElement
());
const
SerializationProxy
&
proxy
=
SerializationProxy
::
getProxy
(
root
.
getStringProperty
(
"type"
));
return
proxy
.
deserialize
(
root
);
}
SerializationNode
*
XmlSerializer
::
decodeNode
(
SerializationNode
&
node
,
const
TiXmlElement
&
element
)
{
for
(
const
TiXmlAttribute
*
attribute
=
element
.
FirstAttribute
();
attribute
!=
NULL
;
attribute
=
attribute
->
Next
())
node
.
setStringProperty
(
attribute
->
NameTStr
(),
attribute
->
ValueStr
());
for
(
const
TiXmlElement
*
child
=
element
.
FirstChildElement
();
child
!=
NULL
;
child
=
child
->
NextSiblingElement
())
{
SerializationNode
&
childNode
=
node
.
createChildNode
(
child
->
ValueTStr
());
decodeNode
(
childNode
,
*
child
);
}
}
\ No newline at end of file
serialization/src/tinyxml.cpp
0 → 100644
View file @
7f6c8bbc
This diff is collapsed.
Click to expand it.
serialization/src/tinyxml.h
0 → 100644
View file @
7f6c8bbc
This diff is collapsed.
Click to expand it.
serialization/src/tinyxmlerror.cpp
0 → 100644
View file @
7f6c8bbc
/*
www.sourceforge.net/projects/tinyxml
Original code (2.0 and earlier )copyright (c) 2000-2006 Lee Thomason (www.grinninglizard.com)
This software is provided 'as-is', without any express or implied
warranty. In no event will the authors be held liable for any
damages arising from the use of this software.
Permission is granted to anyone to use this software for any
purpose, including commercial applications, and to alter it and
redistribute it freely, subject to the following restrictions:
1. The origin of this software must not be misrepresented; you must
not claim that you wrote the original software. If you use this
software in a product, an acknowledgment in the product documentation
would be appreciated but is not required.
2. Altered source versions must be plainly marked as such, and
must not be misrepresented as being the original software.
3. This notice may not be removed or altered from any source
distribution.
*/
#include "tinyxml.h"
// The goal of the seperate error file is to make the first
// step towards localization. tinyxml (currently) only supports
// english error messages, but the could now be translated.
//
// It also cleans up the code a bit.
//
const
char
*
TiXmlBase
::
errorString
[
TIXML_ERROR_STRING_COUNT
]
=
{
"No error"
,
"Error"
,
"Failed to open file"
,
"Error parsing Element."
,
"Failed to read Element name"
,
"Error reading Element value."
,
"Error reading Attributes."
,
"Error: empty tag."
,
"Error reading end tag."
,
"Error parsing Unknown."
,
"Error parsing Comment."
,
"Error parsing Declaration."
,
"Error document empty."
,
"Error null (0) or unexpected EOF found in input stream."
,
"Error parsing CDATA."
,
"Error when TiXmlDocument added to document, because TiXmlDocument can only be at the root."
,
};
serialization/src/tinyxmlparser.cpp
0 → 100644
View file @
7f6c8bbc
This diff is collapsed.
Click to expand it.
serialization/tests/CMakeLists.txt
0 → 100644
View file @
7f6c8bbc
#
# Testing
#
ENABLE_TESTING
()
# Automatically create tests using files named "Test*.cpp"
FILE
(
GLOB TEST_PROGS
"*Test*.cpp"
)
FOREACH
(
TEST_PROG
${
TEST_PROGS
}
)
GET_FILENAME_COMPONENT
(
TEST_ROOT
${
TEST_PROG
}
NAME_WE
)
# All tests use shared libraries
ADD_EXECUTABLE
(
${
TEST_ROOT
}
${
TEST_PROG
}
)
TARGET_LINK_LIBRARIES
(
${
TEST_ROOT
}
${
OPENMM_S11N_LIBRARY_NAME
}
)
ADD_TEST
(
${
TEST_ROOT
}
${
EXECUTABLE_OUTPUT_PATH
}
/
${
TEST_ROOT
}
)
ENDFOREACH
(
TEST_PROG
${
TEST_PROGS
}
)
serialization/tests/TestSerializationNode.cpp
0 → 100644
View file @
7f6c8bbc
/* -------------------------------------------------------------------------- *
* OpenMM *
* -------------------------------------------------------------------------- *
* This is part of the OpenMM molecular simulation toolkit originating from *
* Simbios, the NIH National Center for Physics-Based Simulation of *
* Biological Structures at Stanford, funded under the NIH Roadmap for *
* Medical Research, grant U54 GM072970. See https://simtk.org. *
* *
* Portions copyright (c) 2010 Stanford University and the Authors. *
* Authors: Peter Eastman *
* Contributors: *
* *
* Permission is hereby granted, free of charge, to any person obtaining a *
* copy of this software and associated documentation files (the "Software"), *
* to deal in the Software without restriction, including without limitation *
* the rights to use, copy, modify, merge, publish, distribute, sublicense, *
* and/or sell copies of the Software, and to permit persons to whom the *
* Software is furnished to do so, subject to the following conditions: *
* *
* The above copyright notice and this permission notice shall be included in *
* all copies or substantial portions of the Software. *
* *
* THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR *
* IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, *
* FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL *
* THE AUTHORS, CONTRIBUTORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, *
* DAMAGES OR OTHER LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR *
* OTHERWISE, ARISING FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE *
* USE OR OTHER DEALINGS IN THE SOFTWARE. *
* -------------------------------------------------------------------------- */
#include "../../../tests/AssertionUtilities.h"
#include "openmm/serialization/SerializationNode.h"
#include <iostream>
using
namespace
OpenMM
;
using
namespace
std
;
void
testProperties
()
{
SerializationNode
node
;
ASSERT_EQUAL
(
false
,
node
.
hasProperty
(
"prop1"
));
ASSERT_EQUAL
(
false
,
node
.
hasProperty
(
"prop2"
));
bool
exists
=
false
;
try
{
node
.
getStringProperty
(
"prop1"
);
exists
=
true
;
}
catch
(
const
exception
&
ex
)
{
}
ASSERT_EQUAL
(
false
,
exists
);
try
{
node
.
getIntProperty
(
"prop1"
);
exists
=
true
;
}
catch
(
const
exception
&
ex
)
{
}
ASSERT_EQUAL
(
false
,
exists
);
try
{
node
.
getDoubleProperty
(
"prop1"
);
exists
=
true
;
}
catch
(
const
exception
&
ex
)
{
}
ASSERT_EQUAL
(
false
,
exists
);
ASSERT_EQUAL
(
3
,
node
.
getIntProperty
(
"prop1"
,
3
));
ASSERT_EQUAL
(
3.5
,
node
.
getDoubleProperty
(
"prop1"
,
3.5
));
ASSERT_EQUAL
(
"abc"
,
node
.
getStringProperty
(
"prop1"
,
"abc"
));
node
.
setIntProperty
(
"prop1"
,
1
);
ASSERT_EQUAL
(
1
,
node
.
getIntProperty
(
"prop1"
));
node
.
setDoubleProperty
(
"prop1"
,
1.5
);
ASSERT_EQUAL
(
1.5
,
node
.
getDoubleProperty
(
"prop1"
));
node
.
setStringProperty
(
"prop1"
,
"hello"
);
ASSERT_EQUAL
(
"hello"
,
node
.
getStringProperty
(
"prop1"
));
ASSERT_EQUAL
(
true
,
node
.
hasProperty
(
"prop1"
));
ASSERT_EQUAL
(
false
,
node
.
hasProperty
(
"prop2"
));
}
int
main
()
{
try
{
testProperties
();
}
catch
(
const
exception
&
e
)
{
cout
<<
"exception: "
<<
e
.
what
()
<<
endl
;
return
1
;
}
cout
<<
"Done"
<<
endl
;
return
0
;
}
serialization/tests/TestSerializeSystem.cpp
0 → 100644
View file @
7f6c8bbc
/* -------------------------------------------------------------------------- *
* OpenMM *
* -------------------------------------------------------------------------- *
* This is part of the OpenMM molecular simulation toolkit originating from *
* Simbios, the NIH National Center for Physics-Based Simulation of *
* Biological Structures at Stanford, funded under the NIH Roadmap for *
* Medical Research, grant U54 GM072970. See https://simtk.org. *
* *
* Portions copyright (c) 2010 Stanford University and the Authors. *
* Authors: Peter Eastman *
* Contributors: *
* *
* Permission is hereby granted, free of charge, to any person obtaining a *
* copy of this software and associated documentation files (the "Software"), *
* to deal in the Software without restriction, including without limitation *
* the rights to use, copy, modify, merge, publish, distribute, sublicense, *
* and/or sell copies of the Software, and to permit persons to whom the *
* Software is furnished to do so, subject to the following conditions: *
* *
* The above copyright notice and this permission notice shall be included in *
* all copies or substantial portions of the Software. *
* *
* THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR *
* IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, *
* FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL *
* THE AUTHORS, CONTRIBUTORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, *
* DAMAGES OR OTHER LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR *
* OTHERWISE, ARISING FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE *
* USE OR OTHER DEALINGS IN THE SOFTWARE. *
* -------------------------------------------------------------------------- */
#include "../../../tests/AssertionUtilities.h"
#include "openmm/HarmonicBondForce.h"
#include "openmm/System.h"
#include "openmm/serialization/HarmonicBondForceProxy.h"
#include "openmm/serialization/SerializationNode.h"
#include "openmm/serialization/SerializationProxy.h"
#include "openmm/serialization/SystemProxy.h"
#include "openmm/serialization/XmlSerializer.h"
#include <iostream>
#include <sstream>
using
namespace
OpenMM
;
using
namespace
std
;
void
testSerialization
()
{
// Create a System.
System
system
;
for
(
int
i
=
0
;
i
<
5
;
i
++
)
system
.
addParticle
(
0.1
*
i
+
1
);
system
.
addConstraint
(
0
,
1
,
3.0
);
system
.
addConstraint
(
1
,
2
,
2.5
);
system
.
addConstraint
(
4
,
1
,
1.001
);
system
.
setDefaultPeriodicBoxVectors
(
Vec3
(
5
,
0
,
0
),
Vec3
(
0
,
4
,
0
),
Vec3
(
0
,
0
,
1.5
));
system
.
addForce
(
new
HarmonicBondForce
());
// Serialize and then deserialize it.
stringstream
buffer
;
XmlSerializer
::
serialize
<
System
>
(
&
system
,
"System"
,
buffer
);
System
*
copy
=
XmlSerializer
::
deserialize
<
System
>
(
buffer
);
// Compare the two systems to see if they are identical.
System
&
system2
=
*
copy
;
ASSERT_EQUAL
(
system
.
getNumParticles
(),
system2
.
getNumParticles
());
for
(
int
i
=
0
;
i
<
system
.
getNumParticles
();
i
++
)
ASSERT_EQUAL
(
system
.
getParticleMass
(
i
),
system2
.
getParticleMass
(
i
));
ASSERT_EQUAL
(
system
.
getNumConstraints
(),
system2
.
getNumConstraints
());
for
(
int
i
=
0
;
i
<
system
.
getNumConstraints
();
i
++
)
{
int
p1
,
p2
,
p3
,
p4
;
double
d1
,
d2
;
system
.
getConstraintParameters
(
i
,
p1
,
p2
,
d1
);
system2
.
getConstraintParameters
(
i
,
p3
,
p4
,
d2
);
ASSERT_EQUAL
(
p1
,
p3
);
ASSERT_EQUAL
(
p2
,
p4
);
ASSERT_EQUAL
(
d1
,
d2
);
}
Vec3
a
,
b
,
c
;
Vec3
a2
,
b2
,
c2
;
system
.
getDefaultPeriodicBoxVectors
(
a
,
b
,
c
);
system2
.
getDefaultPeriodicBoxVectors
(
a2
,
b2
,
c2
);
ASSERT_EQUAL_VEC
(
a
,
a2
,
0
);
ASSERT_EQUAL_VEC
(
b
,
b2
,
0
);
ASSERT_EQUAL_VEC
(
c
,
c2
,
0
);
ASSERT_EQUAL
(
system
.
getNumForces
(),
system2
.
getNumForces
());
for
(
int
i
=
0
;
i
<
system
.
getNumForces
();
i
++
)
ASSERT
(
typeid
(
system
.
getForce
(
i
))
==
typeid
(
system2
.
getForce
(
i
)))
}
int
main
()
{
try
{
SerializationProxy
::
registerProxy
(
typeid
(
System
),
new
SystemProxy
());
SerializationProxy
::
registerProxy
(
typeid
(
HarmonicBondForce
),
new
HarmonicBondForceProxy
());
testSerialization
();
}
catch
(
const
exception
&
e
)
{
cout
<<
"exception: "
<<
e
.
what
()
<<
endl
;
return
1
;
}
cout
<<
"Done"
<<
endl
;
return
0
;
}
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