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tsoc
openmm
Commits
150503f1
Commit
150503f1
authored
Apr 07, 2017
by
Peter Eastman
Browse files
Added error checking to setNonbondedMethod()
parent
08e8b206
Changes
9
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9 changed files
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18 additions
and
0 deletions
+18
-0
openmmapi/src/CustomGBForce.cpp
openmmapi/src/CustomGBForce.cpp
+2
-0
openmmapi/src/CustomHbondForce.cpp
openmmapi/src/CustomHbondForce.cpp
+2
-0
openmmapi/src/CustomManyParticleForce.cpp
openmmapi/src/CustomManyParticleForce.cpp
+2
-0
openmmapi/src/CustomNonbondedForce.cpp
openmmapi/src/CustomNonbondedForce.cpp
+2
-0
openmmapi/src/GBSAOBCForce.cpp
openmmapi/src/GBSAOBCForce.cpp
+2
-0
openmmapi/src/GayBerneForce.cpp
openmmapi/src/GayBerneForce.cpp
+2
-0
openmmapi/src/NonbondedForce.cpp
openmmapi/src/NonbondedForce.cpp
+2
-0
plugins/amoeba/openmmapi/src/AmoebaMultipoleForce.cpp
plugins/amoeba/openmmapi/src/AmoebaMultipoleForce.cpp
+2
-0
plugins/amoeba/openmmapi/src/AmoebaVdwForce.cpp
plugins/amoeba/openmmapi/src/AmoebaVdwForce.cpp
+2
-0
No files found.
openmmapi/src/CustomGBForce.cpp
View file @
150503f1
...
@@ -60,6 +60,8 @@ CustomGBForce::NonbondedMethod CustomGBForce::getNonbondedMethod() const {
...
@@ -60,6 +60,8 @@ CustomGBForce::NonbondedMethod CustomGBForce::getNonbondedMethod() const {
}
}
void
CustomGBForce
::
setNonbondedMethod
(
NonbondedMethod
method
)
{
void
CustomGBForce
::
setNonbondedMethod
(
NonbondedMethod
method
)
{
if
(
method
<
0
||
method
>
2
)
throw
OpenMMException
(
"CustomGBForce: Illegal value for nonbonded method"
);
nonbondedMethod
=
method
;
nonbondedMethod
=
method
;
}
}
...
...
openmmapi/src/CustomHbondForce.cpp
View file @
150503f1
...
@@ -69,6 +69,8 @@ CustomHbondForce::NonbondedMethod CustomHbondForce::getNonbondedMethod() const {
...
@@ -69,6 +69,8 @@ CustomHbondForce::NonbondedMethod CustomHbondForce::getNonbondedMethod() const {
}
}
void
CustomHbondForce
::
setNonbondedMethod
(
NonbondedMethod
method
)
{
void
CustomHbondForce
::
setNonbondedMethod
(
NonbondedMethod
method
)
{
if
(
method
<
0
||
method
>
2
)
throw
OpenMMException
(
"CustomHbondForce: Illegal value for nonbonded method"
);
nonbondedMethod
=
method
;
nonbondedMethod
=
method
;
}
}
...
...
openmmapi/src/CustomManyParticleForce.cpp
View file @
150503f1
...
@@ -65,6 +65,8 @@ CustomManyParticleForce::NonbondedMethod CustomManyParticleForce::getNonbondedMe
...
@@ -65,6 +65,8 @@ CustomManyParticleForce::NonbondedMethod CustomManyParticleForce::getNonbondedMe
}
}
void
CustomManyParticleForce
::
setNonbondedMethod
(
NonbondedMethod
method
)
{
void
CustomManyParticleForce
::
setNonbondedMethod
(
NonbondedMethod
method
)
{
if
(
method
<
0
||
method
>
2
)
throw
OpenMMException
(
"CustomManyParticleForce: Illegal value for nonbonded method"
);
nonbondedMethod
=
method
;
nonbondedMethod
=
method
;
}
}
...
...
openmmapi/src/CustomNonbondedForce.cpp
View file @
150503f1
...
@@ -87,6 +87,8 @@ CustomNonbondedForce::NonbondedMethod CustomNonbondedForce::getNonbondedMethod()
...
@@ -87,6 +87,8 @@ CustomNonbondedForce::NonbondedMethod CustomNonbondedForce::getNonbondedMethod()
}
}
void
CustomNonbondedForce
::
setNonbondedMethod
(
NonbondedMethod
method
)
{
void
CustomNonbondedForce
::
setNonbondedMethod
(
NonbondedMethod
method
)
{
if
(
method
<
0
||
method
>
2
)
throw
OpenMMException
(
"CustomNonbondedForce: Illegal value for nonbonded method"
);
nonbondedMethod
=
method
;
nonbondedMethod
=
method
;
}
}
...
...
openmmapi/src/GBSAOBCForce.cpp
View file @
150503f1
...
@@ -64,6 +64,8 @@ GBSAOBCForce::NonbondedMethod GBSAOBCForce::getNonbondedMethod() const {
...
@@ -64,6 +64,8 @@ GBSAOBCForce::NonbondedMethod GBSAOBCForce::getNonbondedMethod() const {
}
}
void
GBSAOBCForce
::
setNonbondedMethod
(
NonbondedMethod
method
)
{
void
GBSAOBCForce
::
setNonbondedMethod
(
NonbondedMethod
method
)
{
if
(
method
<
0
||
method
>
2
)
throw
OpenMMException
(
"GBSAOBCForce: Illegal value for nonbonded method"
);
nonbondedMethod
=
method
;
nonbondedMethod
=
method
;
}
}
...
...
openmmapi/src/GayBerneForce.cpp
View file @
150503f1
...
@@ -55,6 +55,8 @@ GayBerneForce::NonbondedMethod GayBerneForce::getNonbondedMethod() const {
...
@@ -55,6 +55,8 @@ GayBerneForce::NonbondedMethod GayBerneForce::getNonbondedMethod() const {
}
}
void
GayBerneForce
::
setNonbondedMethod
(
NonbondedMethod
method
)
{
void
GayBerneForce
::
setNonbondedMethod
(
NonbondedMethod
method
)
{
if
(
method
<
0
||
method
>
2
)
throw
OpenMMException
(
"GayBerneForce: Illegal value for nonbonded method"
);
nonbondedMethod
=
method
;
nonbondedMethod
=
method
;
}
}
...
...
openmmapi/src/NonbondedForce.cpp
View file @
150503f1
...
@@ -57,6 +57,8 @@ NonbondedForce::NonbondedMethod NonbondedForce::getNonbondedMethod() const {
...
@@ -57,6 +57,8 @@ NonbondedForce::NonbondedMethod NonbondedForce::getNonbondedMethod() const {
}
}
void
NonbondedForce
::
setNonbondedMethod
(
NonbondedMethod
method
)
{
void
NonbondedForce
::
setNonbondedMethod
(
NonbondedMethod
method
)
{
if
(
method
<
0
||
method
>
5
)
throw
OpenMMException
(
"NonbondedForce: Illegal value for nonbonded method"
);
nonbondedMethod
=
method
;
nonbondedMethod
=
method
;
}
}
...
...
plugins/amoeba/openmmapi/src/AmoebaMultipoleForce.cpp
View file @
150503f1
...
@@ -52,6 +52,8 @@ AmoebaMultipoleForce::NonbondedMethod AmoebaMultipoleForce::getNonbondedMethod()
...
@@ -52,6 +52,8 @@ AmoebaMultipoleForce::NonbondedMethod AmoebaMultipoleForce::getNonbondedMethod()
}
}
void
AmoebaMultipoleForce
::
setNonbondedMethod
(
AmoebaMultipoleForce
::
NonbondedMethod
method
)
{
void
AmoebaMultipoleForce
::
setNonbondedMethod
(
AmoebaMultipoleForce
::
NonbondedMethod
method
)
{
if
(
method
<
0
||
method
>
1
)
throw
OpenMMException
(
"AmoebaMultipoleForce: Illegal value for nonbonded method"
);
nonbondedMethod
=
method
;
nonbondedMethod
=
method
;
}
}
...
...
plugins/amoeba/openmmapi/src/AmoebaVdwForce.cpp
View file @
150503f1
...
@@ -123,6 +123,8 @@ AmoebaVdwForce::NonbondedMethod AmoebaVdwForce::getNonbondedMethod() const {
...
@@ -123,6 +123,8 @@ AmoebaVdwForce::NonbondedMethod AmoebaVdwForce::getNonbondedMethod() const {
}
}
void
AmoebaVdwForce
::
setNonbondedMethod
(
NonbondedMethod
method
)
{
void
AmoebaVdwForce
::
setNonbondedMethod
(
NonbondedMethod
method
)
{
if
(
method
<
0
||
method
>
1
)
throw
OpenMMException
(
"AmoebaVdwForce: Illegal value for nonbonded method"
);
nonbondedMethod
=
method
;
nonbondedMethod
=
method
;
}
}
...
...
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