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tsoc
openmm
Commits
7ccd10ca
Commit
7ccd10ca
authored
Jan 14, 2016
by
Peter Eastman
Browse files
Record force group for AMOEBA forces
parent
71de4b1b
Changes
22
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2 changed files
with
6 additions
and
2 deletions
+6
-2
plugins/amoeba/serialization/tests/TestSerializeAmoebaVdwForce.cpp
...moeba/serialization/tests/TestSerializeAmoebaVdwForce.cpp
+3
-1
plugins/amoeba/serialization/tests/TestSerializeAmoebaWcaDispersionForce.cpp
...alization/tests/TestSerializeAmoebaWcaDispersionForce.cpp
+3
-1
No files found.
plugins/amoeba/serialization/tests/TestSerializeAmoebaVdwForce.cpp
View file @
7ccd10ca
...
...
@@ -6,7 +6,7 @@
* Biological Structures at Stanford, funded under the NIH Roadmap for *
* Medical Research, grant U54 GM072970. See https://simtk.org. *
* *
* Portions copyright (c) 2010 Stanford University and the Authors.
*
* Portions copyright (c) 2010
-2016
Stanford University and the Authors. *
* Authors: Peter Eastman *
* Contributors: *
* *
...
...
@@ -45,6 +45,7 @@ void testSerialization() {
// Create a Force.
AmoebaVdwForce
force1
;
force1
.
setForceGroup
(
3
);
force1
.
setSigmaCombiningRule
(
"GEOMETRIC"
);
force1
.
setEpsilonCombiningRule
(
"GEOMETRIC"
);
force1
.
setCutoff
(
0.9
);
...
...
@@ -70,6 +71,7 @@ void testSerialization() {
// Compare the two forces to see if they are identical.
AmoebaVdwForce
&
force2
=
*
copy
;
ASSERT_EQUAL
(
force1
.
getForceGroup
(),
force2
.
getForceGroup
());
ASSERT_EQUAL
(
force1
.
getSigmaCombiningRule
(),
force2
.
getSigmaCombiningRule
());
ASSERT_EQUAL
(
force1
.
getEpsilonCombiningRule
(),
force2
.
getEpsilonCombiningRule
());
ASSERT_EQUAL
(
force1
.
getCutoff
(),
force2
.
getCutoff
());
...
...
plugins/amoeba/serialization/tests/TestSerializeAmoebaWcaDispersionForce.cpp
View file @
7ccd10ca
...
...
@@ -6,7 +6,7 @@
* Biological Structures at Stanford, funded under the NIH Roadmap for *
* Medical Research, grant U54 GM072970. See https://simtk.org. *
* *
* Portions copyright (c) 2010 Stanford University and the Authors.
*
* Portions copyright (c) 2010
-2016
Stanford University and the Authors. *
* Authors: Peter Eastman *
* Contributors: *
* *
...
...
@@ -45,6 +45,7 @@ void testSerialization() {
// Create a Force.
AmoebaWcaDispersionForce
force1
;
force1
.
setForceGroup
(
3
);
force1
.
setEpso
(
1.0
);
force1
.
setEpsh
(
1.1
);
force1
.
setRmino
(
1.2
);
...
...
@@ -68,6 +69,7 @@ void testSerialization() {
AmoebaWcaDispersionForce
&
force2
=
*
copy
;
ASSERT_EQUAL
(
force1
.
getForceGroup
(),
force2
.
getForceGroup
());
ASSERT_EQUAL
(
force1
.
getEpso
(),
force2
.
getEpso
());
ASSERT_EQUAL
(
force1
.
getEpsh
(),
force2
.
getEpsh
());
ASSERT_EQUAL
(
force1
.
getRmino
(),
force2
.
getRmino
());
...
...
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