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tsoc
openmm
Commits
8f55af1c
Unverified
Commit
8f55af1c
authored
Jan 06, 2021
by
peastman
Committed by
GitHub
Jan 06, 2021
Browse files
Minor code cleanup (#2979)
parent
9f9ac8d3
Changes
1
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Showing
1 changed file
with
4 additions
and
4 deletions
+4
-4
serialization/src/SystemProxy.cpp
serialization/src/SystemProxy.cpp
+4
-4
No files found.
serialization/src/SystemProxy.cpp
View file @
8f55af1c
...
@@ -6,7 +6,7 @@
...
@@ -6,7 +6,7 @@
* Biological Structures at Stanford, funded under the NIH Roadmap for *
* Biological Structures at Stanford, funded under the NIH Roadmap for *
* Medical Research, grant U54 GM072970. See https://simtk.org. *
* Medical Research, grant U54 GM072970. See https://simtk.org. *
* *
* *
* Portions copyright (c) 2010-201
7
Stanford University and the Authors. *
* Portions copyright (c) 2010-20
2
1 Stanford University and the Authors. *
* Authors: Peter Eastman *
* Authors: Peter Eastman *
* Contributors: *
* Contributors: *
* *
* *
...
@@ -129,7 +129,7 @@ void* SystemProxy::deserialize(const SerializationNode& node) const {
...
@@ -129,7 +129,7 @@ void* SystemProxy::deserialize(const SerializationNode& node) const {
else
if
(
vsite
.
getName
()
==
"OutOfPlaneSite"
)
else
if
(
vsite
.
getName
()
==
"OutOfPlaneSite"
)
system
->
setVirtualSite
(
i
,
new
OutOfPlaneSite
(
vsite
.
getIntProperty
(
"p1"
),
vsite
.
getIntProperty
(
"p2"
),
vsite
.
getIntProperty
(
"p3"
),
vsite
.
getDoubleProperty
(
"w12"
),
vsite
.
getDoubleProperty
(
"w13"
),
vsite
.
getDoubleProperty
(
"wc"
)));
system
->
setVirtualSite
(
i
,
new
OutOfPlaneSite
(
vsite
.
getIntProperty
(
"p1"
),
vsite
.
getIntProperty
(
"p2"
),
vsite
.
getIntProperty
(
"p3"
),
vsite
.
getDoubleProperty
(
"w12"
),
vsite
.
getDoubleProperty
(
"w13"
),
vsite
.
getDoubleProperty
(
"wc"
)));
else
if
(
vsite
.
getName
()
==
"LocalCoordinatesSite"
)
{
else
if
(
vsite
.
getName
()
==
"LocalCoordinatesSite"
)
{
vector
<
int
>
particles
;
vector
<
int
>
particle
Indice
s
;
vector
<
double
>
wo
,
wx
,
wy
;
vector
<
double
>
wo
,
wx
,
wy
;
for
(
int
j
=
0
;
;
j
++
)
{
for
(
int
j
=
0
;
;
j
++
)
{
stringstream
ss
;
stringstream
ss
;
...
@@ -137,13 +137,13 @@ void* SystemProxy::deserialize(const SerializationNode& node) const {
...
@@ -137,13 +137,13 @@ void* SystemProxy::deserialize(const SerializationNode& node) const {
string
index
=
ss
.
str
();
string
index
=
ss
.
str
();
if
(
!
vsite
.
hasProperty
(
"p"
+
index
))
if
(
!
vsite
.
hasProperty
(
"p"
+
index
))
break
;
break
;
particles
.
push_back
(
vsite
.
getIntProperty
(
"p"
+
index
));
particle
Indice
s
.
push_back
(
vsite
.
getIntProperty
(
"p"
+
index
));
wo
.
push_back
(
vsite
.
getDoubleProperty
(
"wo"
+
index
));
wo
.
push_back
(
vsite
.
getDoubleProperty
(
"wo"
+
index
));
wx
.
push_back
(
vsite
.
getDoubleProperty
(
"wx"
+
index
));
wx
.
push_back
(
vsite
.
getDoubleProperty
(
"wx"
+
index
));
wy
.
push_back
(
vsite
.
getDoubleProperty
(
"wy"
+
index
));
wy
.
push_back
(
vsite
.
getDoubleProperty
(
"wy"
+
index
));
}
}
Vec3
p
(
vsite
.
getDoubleProperty
(
"pos1"
),
vsite
.
getDoubleProperty
(
"pos2"
),
vsite
.
getDoubleProperty
(
"pos3"
));
Vec3
p
(
vsite
.
getDoubleProperty
(
"pos1"
),
vsite
.
getDoubleProperty
(
"pos2"
),
vsite
.
getDoubleProperty
(
"pos3"
));
system
->
setVirtualSite
(
i
,
new
LocalCoordinatesSite
(
particles
,
wo
,
wx
,
wy
,
p
));
system
->
setVirtualSite
(
i
,
new
LocalCoordinatesSite
(
particle
Indice
s
,
wo
,
wx
,
wy
,
p
));
}
}
}
}
}
}
...
...
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