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tsoc
openmm
Commits
c6577ea6
Commit
c6577ea6
authored
Oct 24, 2019
by
Frazer Leslie Clews
Browse files
make non-primitave types pre increment instead of post increment
parent
7a02c59b
Changes
4
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4 changed files
with
5 additions
and
5 deletions
+5
-5
openmmapi/src/CustomNonbondedForce.cpp
openmmapi/src/CustomNonbondedForce.cpp
+1
-1
openmmapi/src/System.cpp
openmmapi/src/System.cpp
+1
-1
plugins/amoeba/openmmapi/src/AmoebaTorsionTorsionForceImpl.cpp
...ns/amoeba/openmmapi/src/AmoebaTorsionTorsionForceImpl.cpp
+2
-2
serialization/tests/TestSerializeState.cpp
serialization/tests/TestSerializeState.cpp
+1
-1
No files found.
openmmapi/src/CustomNonbondedForce.cpp
View file @
c6577ea6
...
...
@@ -65,7 +65,7 @@ CustomNonbondedForce::CustomNonbondedForce(const CustomNonbondedForce& rhs) {
particles
=
rhs
.
particles
;
exclusions
=
rhs
.
exclusions
;
interactionGroups
=
rhs
.
interactionGroups
;
for
(
vector
<
FunctionInfo
>::
const_iterator
it
=
rhs
.
functions
.
begin
();
it
!=
rhs
.
functions
.
end
();
it
++
)
for
(
vector
<
FunctionInfo
>::
const_iterator
it
=
rhs
.
functions
.
begin
();
it
!=
rhs
.
functions
.
end
();
++
it
)
functions
.
push_back
(
FunctionInfo
(
it
->
name
,
it
->
function
->
Copy
()));
}
...
...
openmmapi/src/System.cpp
View file @
c6577ea6
...
...
@@ -138,7 +138,7 @@ bool System::usesPeriodicBoundaryConditions() const {
bool
uses_pbc
=
false
;
bool
all_forces_implement
=
true
;
for
(
std
::
vector
<
Force
*>::
const_iterator
it
=
forces
.
begin
();
it
!=
forces
.
end
();
it
++
)
{
it
!=
forces
.
end
();
++
it
)
{
try
{
if
((
*
it
)
->
usesPeriodicBoundaryConditions
())
uses_pbc
=
true
;
...
...
plugins/amoeba/openmmapi/src/AmoebaTorsionTorsionForceImpl.cpp
View file @
c6577ea6
...
...
@@ -132,9 +132,9 @@ void AmoebaTorsionTorsionForceImpl::reorderGrid(const TorsionTorsionGrid& grid,
// increment map iterators
mapJJ
++
;
++
mapJJ
;
if
(
mapJJ
==
map_Double_IntPair
.
end
())
{
mapII
++
;
++
mapII
;
if
(
mapII
==
mapAngles
.
end
())
{
if
((
jj
!=
(
grid
[
ii
].
size
()
-
1
))
&&
(
ii
!=
(
grid
.
size
()
-
1
)))
{
char
buffer
[
1024
];
...
...
serialization/tests/TestSerializeState.cpp
View file @
c6577ea6
...
...
@@ -128,7 +128,7 @@ void testSerialization() {
map
<
string
,
double
>::
const_iterator
it1
=
p1
.
begin
();
map
<
string
,
double
>::
const_iterator
it2
=
p2
.
begin
();
//maps are ordered, so iterators should be in the same order.
for
(
it1
=
p1
.
begin
();
it1
!=
p1
.
end
();
it1
++
,
it2
++
)
{
for
(
it1
=
p1
.
begin
();
it1
!=
p1
.
end
();
++
it1
,
++
it2
)
{
assert
((
it1
->
first
).
compare
(
it2
->
first
)
==
0
);
ASSERT_EQUAL
(
it1
->
second
,
it2
->
second
);
}
...
...
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