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tsoc
openmm
Commits
5824286d
Commit
5824286d
authored
Jan 15, 2009
by
Mark Friedrichs
Browse files
Added TestBrookStream to exercise board; Langevin temperature test deactivated for now;
Removed build of static versions of tests
parent
c6dc302d
Changes
3
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3 changed files
with
112 additions
and
13 deletions
+112
-13
platforms/brook/tests/CMakeLists.txt
platforms/brook/tests/CMakeLists.txt
+12
-11
platforms/brook/tests/TestBrookLangevinIntegrator.cpp
platforms/brook/tests/TestBrookLangevinIntegrator.cpp
+4
-2
platforms/brook/tests/TestBrookStream.cpp
platforms/brook/tests/TestBrookStream.cpp
+96
-0
No files found.
platforms/brook/tests/CMakeLists.txt
View file @
5824286d
...
...
@@ -27,6 +27,7 @@ SET(SHARED_BROOK_TARGET ${OpenMM_BROOK_LIBRARY_NAME})
SET
(
STATIC_BROOK_TARGET
${
OpenMM_BROOK_LIBRARY_NAME
}
_static
)
# Automatically create tests using files named "Test*.cpp"
FILE
(
GLOB TEST_PROGS
"*Test*.cpp"
)
FOREACH
(
TEST_PROG
${
TEST_PROGS
}
)
...
...
@@ -52,20 +53,20 @@ FOREACH(TEST_PROG ${TEST_PROGS})
# Link with static library
SET
(
TEST_STATIC
${
TEST_ROOT
}
Static
)
ADD_EXECUTABLE
(
${
TEST_STATIC
}
${
TEST_PROG
}
)
SET_TARGET_PROPERTIES
(
${
TEST_STATIC
}
PROPERTIES
COMPILE_FLAGS
"-DOPENMM_USE_STATIC_LIBRARIES"
)
TARGET_LINK_LIBRARIES
(
${
TEST_STATIC
}
${
STATIC_TARGET
}
${
STATIC_BROOK_TARGET
}
${
BROOK_LIB
}
)
#
SET(TEST_STATIC ${TEST_ROOT}Static)
#
ADD_EXECUTABLE(${TEST_STATIC} ${TEST_PROG})
#
SET_TARGET_PROPERTIES(${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
}
"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
)
#
IF(LOG)
#
FILE( APPEND ${LOG_FILE} "Static: TARGET_LINK_LIBRARIES: TEST_STATIC=${TEST_STATIC} STATIC_TARGET=${STATIC_TARGET} STATIC_BROOK_TARGET=${STATIC_BROOK_TARGET} BROOK_LIB=${BROOK_LIB}\n\n")
#
ENDIF(LOG)
# ----------------------------------------------------------------------------
# ADD_TEST(${TEST_STATIC} ${EXECUTABLE_OUTPUT_PATH}/${TEST_STATIC})
...
...
platforms/brook/tests/TestBrookLangevinIntegrator.cpp
View file @
5824286d
...
...
@@ -364,7 +364,6 @@ void testLangevinConstraints( FILE* log ){
}
}
int
main
(
){
// ---------------------------------------------------------------------------------------
...
...
@@ -377,7 +376,10 @@ int main( ){
(
void
)
fflush
(
stdout
);
(
void
)
fflush
(
stderr
);
try
{
testLangevinTemperature
(
log
);
// problem w/ testLangevinTemperature: T's not stable; however appears ok for bigger systems
// testLangevinTemperature( log );
testLangevinSingleBond
(
log
);
testLangevinConstraints
(
log
);
}
catch
(
const
exception
&
e
){
...
...
platforms/brook/tests/TestBrookStream.cpp
0 → 100644
View file @
5824286d
/* -------------------------------------------------------------------------- *
* OpenMM *
* -------------------------------------------------------------------------- *
* This is part of the OpenMM molecular simulation toolkit originating from *
* Simbios, the NIH National Center for Physics-Based Simulation of *
* Biological Structures at Stanford, funded under the NIH Roadmap for *
* Medical Research, grant U54 GM072970. See https://simtk.org. *
* *
* Portions copyright (c) 2008 Stanford University and the Authors. *
* Authors: Mark Friedrichs *
* Contributors: *
* *
* Permission is hereby granted, free of charge, to any person obtaining a *
* copy of this software and associated documentation files (the "Software"), *
* to deal in the Software without restriction, including without limitation *
* the rights to use, copy, modify, merge, publish, distribute, sublicense, *
* and/or sell copies of the Software, and to permit persons to whom the *
* Software is furnished to do so, subject to the following conditions: *
* *
* The above copyright notice and this permission notice shall be included in *
* all copies or substantial portions of the Software. *
* *
* THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR *
* IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, *
* FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL *
* THE AUTHORS, CONTRIBUTORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, *
* DAMAGES OR OTHER LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR *
* OTHERWISE, ARISING FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE *
* USE OR OTHER DEALINGS IN THE SOFTWARE. *
* -------------------------------------------------------------------------- */
/**
* This tests the Brook stream.
*/
#include "../../../tests/AssertionUtilities.h"
#include "BrookPlatform.h"
#include "BrookStreamFactory.h"
#include <iostream>
#include <vector>
#include <fstream>
using
namespace
OpenMM
;
using
namespace
std
;
const
double
TOL
=
1e-5
;
void
testWriteRead
(
void
){
static
const
int
ArraySz
=
3000
;
BrookPlatform
platform
;
// create and initialize arrays
float
*
array
=
new
float
[
ArraySz
];
float
*
saveArray
=
new
float
[
ArraySz
];
for
(
int
ii
=
0
;
ii
<
ArraySz
;
ii
++
){
array
[
ii
]
=
(
float
)
ii
;
}
memset
(
saveArray
,
0
,
sizeof
(
float
)
*
ArraySz
);
// get factory & create stream
const
BrookStreamFactory
&
brookStreamFactory
=
dynamic_cast
<
const
BrookStreamFactory
&>
(
platform
.
getDefaultStreamFactory
());
StreamImpl
*
testStream
=
brookStreamFactory
.
createStreamImpl
(
"TestStream"
,
ArraySz
,
Stream
::
Float
,
platform
);
// load & retreive data
testStream
->
loadFromArray
(
array
);
testStream
->
saveToArray
(
saveArray
);
// test for equality
for
(
int
ii
=
0
;
ii
<
ArraySz
;
ii
++
){
ASSERT_EQUAL
(
array
[
ii
],
saveArray
[
ii
]
);
}
delete
[]
saveArray
;
delete
[]
array
;
}
int
main
(
){
(
void
)
fflush
(
stdout
);
(
void
)
fflush
(
stderr
);
try
{
testWriteRead
();
}
catch
(
const
exception
&
e
){
cout
<<
"exception: "
<<
e
.
what
()
<<
endl
;
return
1
;
}
cout
<<
"Done"
<<
endl
;
return
0
;
}
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