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tsoc
openmm
Commits
38e6be18
Commit
38e6be18
authored
Oct 28, 2015
by
Robert McGibbon
Browse files
Check for index validity when setting interaction groups
parent
6a985cfd
Changes
1
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1 changed file
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openmmapi/src/CustomNonbondedForce.cpp
openmmapi/src/CustomNonbondedForce.cpp
+8
-0
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openmmapi/src/CustomNonbondedForce.cpp
View file @
38e6be18
...
...
@@ -262,6 +262,10 @@ void CustomNonbondedForce::setFunctionParameters(int index, const std::string& n
}
int
CustomNonbondedForce
::
addInteractionGroup
(
const
std
::
set
<
int
>&
set1
,
const
std
::
set
<
int
>&
set2
)
{
for
(
set
<
int
>::
iterator
it
=
set1
.
begin
();
it
!=
set1
.
end
();
++
it
)
ASSERT_VALID_INDEX
(
*
it
,
particles
);
for
(
set
<
int
>::
iterator
it
=
set2
.
begin
();
it
!=
set2
.
end
();
++
it
)
ASSERT_VALID_INDEX
(
*
it
,
particles
);
interactionGroups
.
push_back
(
InteractionGroupInfo
(
set1
,
set2
));
return
interactionGroups
.
size
()
-
1
;
}
...
...
@@ -274,6 +278,10 @@ void CustomNonbondedForce::getInteractionGroupParameters(int index, std::set<int
void
CustomNonbondedForce
::
setInteractionGroupParameters
(
int
index
,
const
std
::
set
<
int
>&
set1
,
const
std
::
set
<
int
>&
set2
)
{
ASSERT_VALID_INDEX
(
index
,
interactionGroups
);
for
(
set
<
int
>::
iterator
it
=
set1
.
begin
();
it
!=
set1
.
end
();
++
it
)
ASSERT_VALID_INDEX
(
*
it
,
particles
);
for
(
set
<
int
>::
iterator
it
=
set2
.
begin
();
it
!=
set2
.
end
();
++
it
)
ASSERT_VALID_INDEX
(
*
it
,
particles
);
interactionGroups
[
index
].
set1
=
set1
;
interactionGroups
[
index
].
set2
=
set2
;
}
...
...
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