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tsoc
openmm
Commits
92a981e6
"platforms/cuda2/src/CudaExpressionUtilities.h" did not exist on "4e1e1b1162036a617d6ecadd5e218a799e0ecc6b"
Commit
92a981e6
authored
Jan 14, 2009
by
Mark Friedrichs
Browse files
Rename testBrookPeriodicTorsionForce/cpp
parent
ea46c1c5
Changes
4
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4 changed files
with
19 additions
and
18 deletions
+19
-18
platforms/brook/tests/CMakeLists.txt
platforms/brook/tests/CMakeLists.txt
+12
-13
platforms/brook/tests/TestBrookCMMotionRemover.cpp
platforms/brook/tests/TestBrookCMMotionRemover.cpp
+1
-1
platforms/brook/tests/TestBrookLangevinIntegrator.cpp
platforms/brook/tests/TestBrookLangevinIntegrator.cpp
+6
-4
platforms/brook/tests/TestBrookPeriodicTorsionForce.cpp1
platforms/brook/tests/TestBrookPeriodicTorsionForce.cpp1
+0
-0
No files found.
platforms/brook/tests/CMakeLists.txt
View file @
92a981e6
#
# Testing
#
ENABLE_TESTING
()
...
...
@@ -20,7 +19,7 @@ ENDIF(LOG)
INCLUDE
(
${
CMAKE_CURRENT_SOURCE_DIR
}
/../brook-cmake/FindBrook.cmake
)
SET
(
BROOK_LIB brook
)
SET
(
BROOK_LIB brook
Static
)
SET
(
OpenMM_BROOK_LIBRARY_NAME OpenMM_Brook
)
...
...
@@ -37,17 +36,17 @@ FOREACH(TEST_PROG ${TEST_PROGS})
# Link with shared library
ADD_EXECUTABLE
(
${
TEST_ROOT
}
${
TEST_PROG
}
)
TARGET_LINK_LIBRARIES
(
${
TEST_ROOT
}
${
SHARED_TARGET
}
)
#
ADD_TEST(${TEST_ROOT} ${EXECUTABLE_OUTPUT_PATH}/${TEST_ROOT})
TARGET_LINK_LIBRARIES
(
${
TEST_ROOT
}
${
SHARED_TARGET
}
${
OpenMM_BROOK_LIBRARY_NAME
}
)
ADD_TEST
(
${
TEST_ROOT
}
${
EXECUTABLE_OUTPUT_PATH
}
/
${
TEST_ROOT
}
)
# ----------------------------------------------------------------------------
IF
(
LOG
)
FILE
(
APPEND
${
LOG_FILE
}
"TARGET_LINK_LIBRARIES:
${
TEST_PROG
}
TARGET=
${
SHARED_TARGET
}
BROOK_TARGET=
${
ROOK_TARGET
}
BROOK_LIB=
${
BROOK_LIB
}
\n
"
)
FILE
(
APPEND
${
LOG_FILE
}
"
Shared:
TARGET_LINK_LIBRARIES:
${
TEST_PROG
}
TARGET=
${
SHARED_TARGET
}
BROOK_TARGET=
${
ROOK_TARGET
}
BROOK_LIB=
${
BROOK_LIB
}
\n
"
)
ENDIF
(
LOG
)
# ----------------------------------------------------------------------------
SET
(
CMAKE_EXE_LINKER_FLAGS
"/NODEFAULTLIB:
\"
LIBCMT.lib
\"
"
)
SET
(
CMAKE_EXE_LINKER_FLAGS_DEBUG
"/NODEFAULTLIB:
\"
LIBCMTD.lib
\"
"
)
#
SET( CMAKE_EXE_LINKER_FLAGS "/NODEFAULTLIB:\"LIBCMT.lib\"")
#
SET( CMAKE_EXE_LINKER_FLAGS_DEBUG "/NODEFAULTLIB:\"LIBCMTD.lib\"")
ADD_DEFINITIONS
(
-D_WIN32
)
...
...
@@ -55,17 +54,17 @@ FOREACH(TEST_PROG ${TEST_PROGS})
SET
(
TEST_STATIC
${
TEST_ROOT
}
Static
)
ADD_EXECUTABLE
(
${
TEST_STATIC
}
${
TEST_PROG
}
)
#
SET_TARGET_PROPERTIES(${TEST_STATIC}
#
PROPERTIES
#
COMPILE_FLAGS "-DOPENMM_USE_STATIC_LIBRARIES"
#
)
SET_TARGET_PROPERTIES
(
${
TEST_STATIC
}
PROPERTIES
COMPILE_FLAGS
"-DOPENMM_USE_STATIC_LIBRARIES"
)
TARGET_LINK_LIBRARIES
(
${
TEST_STATIC
}
${
STATIC_TARGET
}
${
STATIC_BROOK_TARGET
}
${
BROOK_LIB
}
)
# ADD_TEST(${TEST_STATIC} ${EXECUTABLE_OUTPUT_PATH}/${TEST_STATIC})
# ----------------------------------------------------------------------------
IF
(
LOG
)
FILE
(
APPEND
${
LOG_FILE
}
"TARGET_LINK_LIBRARIES:
${
TEST_STATIC
}
STATIC_TARGET=
${
STATIC_TARGET
}
STATIC_BROOK_TARGET=
${
STATIC_BROOK_TARGET
}
BROOK_LIB=
${
BROOK_LIB
}
\n
"
)
FILE
(
APPEND
${
LOG_FILE
}
"
Static:
TARGET_LINK_LIBRARIES:
TEST_STATIC=
${
TEST_STATIC
}
STATIC_TARGET=
${
STATIC_TARGET
}
STATIC_BROOK_TARGET=
${
STATIC_BROOK_TARGET
}
BROOK_LIB=
${
BROOK_LIB
}
\n
\n
"
)
ENDIF
(
LOG
)
# ----------------------------------------------------------------------------
...
...
platforms/brook/tests/TestBrookCMMotionRemover.cpp
View file @
92a981e6
...
...
@@ -93,7 +93,7 @@ void testMotionRemoval( FILE* log ) {
nonbonded
->
setParticleParameters
(
i
,
(
i
%
2
==
0
?
1.0
:
-
1.0
),
1.0
,
5.0
);
}
system
.
addForce
(
nonbonded
);
CMMotionRemover
*
remover
=
new
CMMotionRemover
();
CMMotionRemover
*
remover
=
new
CMMotionRemover
(
1
);
system
.
addForce
(
remover
);
OpenMMContext
context
(
system
,
integrator
,
platform
);
vector
<
Vec3
>
positions
(
numberOfParticles
);
...
...
platforms/brook/tests/TestBrookLangevinIntegrator.cpp
View file @
92a981e6
...
...
@@ -223,8 +223,10 @@ void testLangevinTemperature( FILE* log ){
forceField
->
setParticleParameters
(
i
,
(
i
%
2
==
0
?
1.0
:
-
1.0
),
1.0
,
5.0
);
}
system
.
addForce
(
forceField
);
CMMotionRemover
*
remover
=
new
CMMotionRemover
();
CMMotionRemover
*
remover
=
new
CMMotionRemover
(
10
);
system
.
addForce
(
remover
);
OpenMMContext
context
(
system
,
integrator
,
platform
);
vector
<
Vec3
>
positions
(
numberOfParticles
);
for
(
int
i
=
0
;
i
<
numberOfParticles
;
++
i
){
...
...
@@ -232,7 +234,7 @@ void testLangevinTemperature( FILE* log ){
}
context
.
setPositions
(
positions
);
// Let it
o
quilibrate.
// Let it
e
quilibrate.
integrator
.
step
(
10000
);
...
...
@@ -375,9 +377,9 @@ int main( ){
(
void
)
fflush
(
stdout
);
(
void
)
fflush
(
stderr
);
try
{
// testLangevinSingleBond( log );
// testLangevinConstraints( log );
testLangevinTemperature
(
log
);
testLangevinSingleBond
(
log
);
testLangevinConstraints
(
log
);
}
catch
(
const
exception
&
e
){
(
void
)
fprintf
(
log
,
"Exception %s %.s
\n
"
,
methodName
.
c_str
(),
e
.
what
()
);
(
void
)
fflush
(
log
);
return
1
;
...
...
platforms/brook/tests/
t
estBrookPeriodicTorsionForce.cpp
→
platforms/brook/tests/
T
estBrookPeriodicTorsionForce.cpp
1
View file @
92a981e6
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