Skip to content
GitLab
Menu
Projects
Groups
Snippets
Loading...
Help
Help
Support
Community forum
Keyboard shortcuts
?
Submit feedback
Contribute to GitLab
Sign in
Toggle navigation
Menu
Open sidebar
tsoc
openmm
Commits
19991c7e
Commit
19991c7e
authored
Sep 03, 2015
by
peastman
Browse files
Added openmmVersion attribute to serialized XML files
parent
cef58048
Changes
2
Show whitespace changes
Inline
Side-by-side
Showing
2 changed files
with
8 additions
and
3 deletions
+8
-3
serialization/src/StateProxy.cpp
serialization/src/StateProxy.cpp
+5
-2
serialization/src/SystemProxy.cpp
serialization/src/SystemProxy.cpp
+3
-1
No files found.
serialization/src/StateProxy.cpp
View file @
19991c7e
...
...
@@ -6,7 +6,7 @@
* 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.
*
* Portions copyright (c) 2010
-2015
Stanford University and the Authors. *
* Authors: Peter Eastman *
* Contributors: *
* *
...
...
@@ -30,7 +30,9 @@
* -------------------------------------------------------------------------- */
#include "openmm/serialization/StateProxy.h"
#include <OpenMM.h>
#include "openmm/Platform.h"
#include "openmm/State.h"
#include "openmm/Vec3.h"
#include <map>
using
namespace
std
;
...
...
@@ -42,6 +44,7 @@ StateProxy::StateProxy() : SerializationProxy("State") {
void
StateProxy
::
serialize
(
const
void
*
object
,
SerializationNode
&
node
)
const
{
node
.
setIntProperty
(
"version"
,
1
);
node
.
setStringProperty
(
"openmmVersion"
,
Platform
::
getOpenMMVersion
());
const
State
&
s
=
*
reinterpret_cast
<
const
State
*>
(
object
);
node
.
setDoubleProperty
(
"time"
,
s
.
getTime
());
Vec3
a
,
b
,
c
;
...
...
serialization/src/SystemProxy.cpp
View file @
19991c7e
...
...
@@ -6,7 +6,7 @@
* 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.
*
* Portions copyright (c) 2010
-2015
Stanford University and the Authors. *
* Authors: Peter Eastman *
* Contributors: *
* *
...
...
@@ -32,6 +32,7 @@
#include "openmm/serialization/SystemProxy.h"
#include "openmm/serialization/SerializationNode.h"
#include "openmm/Force.h"
#include "openmm/Platform.h"
#include "openmm/System.h"
#include "openmm/VirtualSite.h"
#include <sstream>
...
...
@@ -44,6 +45,7 @@ SystemProxy::SystemProxy() : SerializationProxy("System") {
void
SystemProxy
::
serialize
(
const
void
*
object
,
SerializationNode
&
node
)
const
{
node
.
setIntProperty
(
"version"
,
1
);
node
.
setStringProperty
(
"openmmVersion"
,
Platform
::
getOpenMMVersion
());
const
System
&
system
=
*
reinterpret_cast
<
const
System
*>
(
object
);
Vec3
a
,
b
,
c
;
system
.
getDefaultPeriodicBoxVectors
(
a
,
b
,
c
);
...
...
Write
Preview
Markdown
is supported
0%
Try again
or
attach a new file
.
Attach a file
Cancel
You are about to add
0
people
to the discussion. Proceed with caution.
Finish editing this message first!
Cancel
Please
register
or
sign in
to comment