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
150503f1
Commit
150503f1
authored
Apr 07, 2017
by
Peter Eastman
Browse files
Added error checking to setNonbondedMethod()
parent
08e8b206
Changes
9
Hide whitespace changes
Inline
Side-by-side
Showing
9 changed files
with
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 {
}
void
CustomGBForce
::
setNonbondedMethod
(
NonbondedMethod
method
)
{
if
(
method
<
0
||
method
>
2
)
throw
OpenMMException
(
"CustomGBForce: Illegal value for nonbonded method"
);
nonbondedMethod
=
method
;
}
...
...
openmmapi/src/CustomHbondForce.cpp
View file @
150503f1
...
...
@@ -69,6 +69,8 @@ CustomHbondForce::NonbondedMethod CustomHbondForce::getNonbondedMethod() const {
}
void
CustomHbondForce
::
setNonbondedMethod
(
NonbondedMethod
method
)
{
if
(
method
<
0
||
method
>
2
)
throw
OpenMMException
(
"CustomHbondForce: Illegal value for nonbonded method"
);
nonbondedMethod
=
method
;
}
...
...
openmmapi/src/CustomManyParticleForce.cpp
View file @
150503f1
...
...
@@ -65,6 +65,8 @@ CustomManyParticleForce::NonbondedMethod CustomManyParticleForce::getNonbondedMe
}
void
CustomManyParticleForce
::
setNonbondedMethod
(
NonbondedMethod
method
)
{
if
(
method
<
0
||
method
>
2
)
throw
OpenMMException
(
"CustomManyParticleForce: Illegal value for nonbonded method"
);
nonbondedMethod
=
method
;
}
...
...
openmmapi/src/CustomNonbondedForce.cpp
View file @
150503f1
...
...
@@ -87,6 +87,8 @@ CustomNonbondedForce::NonbondedMethod CustomNonbondedForce::getNonbondedMethod()
}
void
CustomNonbondedForce
::
setNonbondedMethod
(
NonbondedMethod
method
)
{
if
(
method
<
0
||
method
>
2
)
throw
OpenMMException
(
"CustomNonbondedForce: Illegal value for nonbonded method"
);
nonbondedMethod
=
method
;
}
...
...
openmmapi/src/GBSAOBCForce.cpp
View file @
150503f1
...
...
@@ -64,6 +64,8 @@ GBSAOBCForce::NonbondedMethod GBSAOBCForce::getNonbondedMethod() const {
}
void
GBSAOBCForce
::
setNonbondedMethod
(
NonbondedMethod
method
)
{
if
(
method
<
0
||
method
>
2
)
throw
OpenMMException
(
"GBSAOBCForce: Illegal value for nonbonded method"
);
nonbondedMethod
=
method
;
}
...
...
openmmapi/src/GayBerneForce.cpp
View file @
150503f1
...
...
@@ -55,6 +55,8 @@ GayBerneForce::NonbondedMethod GayBerneForce::getNonbondedMethod() const {
}
void
GayBerneForce
::
setNonbondedMethod
(
NonbondedMethod
method
)
{
if
(
method
<
0
||
method
>
2
)
throw
OpenMMException
(
"GayBerneForce: Illegal value for nonbonded method"
);
nonbondedMethod
=
method
;
}
...
...
openmmapi/src/NonbondedForce.cpp
View file @
150503f1
...
...
@@ -57,6 +57,8 @@ NonbondedForce::NonbondedMethod NonbondedForce::getNonbondedMethod() const {
}
void
NonbondedForce
::
setNonbondedMethod
(
NonbondedMethod
method
)
{
if
(
method
<
0
||
method
>
5
)
throw
OpenMMException
(
"NonbondedForce: Illegal value for nonbonded method"
);
nonbondedMethod
=
method
;
}
...
...
plugins/amoeba/openmmapi/src/AmoebaMultipoleForce.cpp
View file @
150503f1
...
...
@@ -52,6 +52,8 @@ AmoebaMultipoleForce::NonbondedMethod AmoebaMultipoleForce::getNonbondedMethod()
}
void
AmoebaMultipoleForce
::
setNonbondedMethod
(
AmoebaMultipoleForce
::
NonbondedMethod
method
)
{
if
(
method
<
0
||
method
>
1
)
throw
OpenMMException
(
"AmoebaMultipoleForce: Illegal value for nonbonded method"
);
nonbondedMethod
=
method
;
}
...
...
plugins/amoeba/openmmapi/src/AmoebaVdwForce.cpp
View file @
150503f1
...
...
@@ -123,6 +123,8 @@ AmoebaVdwForce::NonbondedMethod AmoebaVdwForce::getNonbondedMethod() const {
}
void
AmoebaVdwForce
::
setNonbondedMethod
(
NonbondedMethod
method
)
{
if
(
method
<
0
||
method
>
1
)
throw
OpenMMException
(
"AmoebaVdwForce: Illegal value for nonbonded method"
);
nonbondedMethod
=
method
;
}
...
...
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