Added unit tests for nonbonded, OBC, and GBVI forces

platforms/cuda/tests/CMakeLists.txt

@@ -7,6 +7,15 @@ ENABLE_TESTING()
 # INCLUDE(${CMAKE_SOURCE_DIR}/platforms/cuda/cuda-cmake/FindCuda.cmake)
 INCLUDE_DIRECTORIES(${CUDA_INCLUDE})
 
+SET( INCLUDE_SERIALIZATION FALSE )
+#SET( INCLUDE_SERIALIZATION TRUE )
+
+IF( INCLUDE_SERIALIZATION )
+    INCLUDE_DIRECTORIES(${OPENMM_DIR}/serialization/include)
+    SET( SHARED_OPENMM_SERIALIZATION OpenMMSerialization )
+ENDIF( INCLUDE_SERIALIZATION )
+
+
 # Automatically create tests using files named "Test*.cpp"
 FILE(GLOB TEST_PROGS "*Test*.cpp")
 # TestCudaRandom has never worked on windows, so let's stop polluting the dashboard with it.
@@ -14,12 +23,63 @@ IF (${CMAKE_GENERATOR} MATCHES "Visual Studio")
     FILE(GLOB TEST_CUDA_RANDOM_PROG "*TestCudaRandom.cpp")
     LIST(REMOVE_ITEM TEST_PROGS "${TEST_CUDA_RANDOM_PROG}")
 ENDIF (${CMAKE_GENERATOR} MATCHES "Visual Studio")
+
 FOREACH(TEST_PROG ${TEST_PROGS})
     GET_FILENAME_COMPONENT(TEST_ROOT ${TEST_PROG} NAME_WE)
 
     # Link with shared library
     CUDA_ADD_EXECUTABLE(${TEST_ROOT} ${TEST_PROG})
     TARGET_LINK_LIBRARIES(${TEST_ROOT} ${SHARED_TARGET})
+
+    IF( ${TEST_ROOT} STREQUAL "TestCudaGBVIForce2" )
+    
+        # serialize
+
+        SET(DEFINE_STRING "-DTEST_PLATFORM=0 ")
+        IF( INCLUDE_SERIALIZATION )
+            SET(DEFINE_STRING "${DEFINE_STRING} -DOPENMM_SERIALIZE ")
+            SET(TARGET_LINK_LIBRARIES_STRING "${SHARED_TARGET} ${SHARED_OPENMM_SERIALIZATION}")
+        ELSE( INCLUDE_SERIALIZATION )
+            SET(TARGET_LINK_LIBRARIES_STRING "${SHARED_TARGET}")
+        ENDIF( INCLUDE_SERIALIZATION )
+    
+        # obc
+
+        SET(OBC_DEFINE_STRING "${DEFINE_STRING} -DIMPLICIT_SOLVENT=1")
+        SET(OBC_TEST "TestCudaOBCForce2")
+        CUDA_ADD_EXECUTABLE(${OBC_TEST} ${TEST_PROG})
+
+        IF( INCLUDE_SERIALIZATION )
+            TARGET_LINK_LIBRARIES(${OBC_TEST} ${SHARED_TARGET} ${SHARED_OPENMM_SERIALIZATION} )
+        ELSE( INCLUDE_SERIALIZATION )
+            TARGET_LINK_LIBRARIES(${OBC_TEST} ${SHARED_TARGET})
+        ENDIF( INCLUDE_SERIALIZATION )
+        SET_TARGET_PROPERTIES(${OBC_TEST} PROPERTIES COMPILE_FLAGS ${OBC_DEFINE_STRING} )
+        ADD_TEST(${OBC_TEST} ${EXECUTABLE_OUTPUT_PATH}/${OBC_TEST})
+
+        # nonbond
+
+        SET(NONBOND_DEFINE_STRING "${DEFINE_STRING} -DIMPLICIT_SOLVENT=0")
+        SET(NONBOND_TEST "TestCudaNonbondForce2")
+        CUDA_ADD_EXECUTABLE(${NONBOND_TEST} ${TEST_PROG})
+
+        IF( INCLUDE_SERIALIZATION )
+            TARGET_LINK_LIBRARIES(${NONBOND_TEST} ${SHARED_TARGET} ${SHARED_OPENMM_SERIALIZATION} )
+        ELSE( INCLUDE_SERIALIZATION )
+            TARGET_LINK_LIBRARIES(${NONBOND_TEST} ${SHARED_TARGET})
+        ENDIF( INCLUDE_SERIALIZATION )
+        SET_TARGET_PROPERTIES(${NONBOND_TEST} PROPERTIES COMPILE_FLAGS ${NONBOND_DEFINE_STRING} )
+        ADD_TEST(${NONBOND_TEST} ${EXECUTABLE_OUTPUT_PATH}/${NONBOND_TEST})
+
+        # gbvi
+
+        SET(DEFINE_STRING "${DEFINE_STRING} -DIMPLICIT_SOLVENT=2")
+        SET_TARGET_PROPERTIES(${TEST_ROOT} PROPERTIES COMPILE_FLAGS ${DEFINE_STRING} )
+
+    ENDIF( ${TEST_ROOT} STREQUAL "TestCudaGBVIForce2" )
+
+    #MESSAGE( "vcm ${TEST_ROOT} ${DEFINE_STRING}" )
+
     ADD_TEST(${TEST_ROOT} ${EXECUTABLE_OUTPUT_PATH}/${TEST_ROOT})
 
     # Link with static library
@@ -34,27 +94,9 @@ FOREACH(TEST_PROG ${TEST_PROGS})
 
 ENDFOREACH(TEST_PROG ${TEST_PROGS})
 
-# TestCudaUsingParameterFile customized w/ command-line argument (input file name used in test) 
-
-#ADD_EXECUTABLE(TestCudaUsingParameterFile TstCudaUsingParameterFile.cpp)
-#TARGET_LINK_LIBRARIES(TestCudaUsingParameterFile ${SHARED_TARGET} "OpenMMOpenCL")
-#ADD_TEST(TestCudaUsingParameterFile "${EXECUTABLE_OUTPUT_PATH}/TestCudaUsingParameterFile" "-parameterFileName" "${CMAKE_CURRENT_SOURCE_DIR}/lambdaSdObcParameters.txt")
-#ADD_TEST(TestCudaUsingParameterFile "${EXECUTABLE_OUTPUT_PATH}/TestCudaUsingParameterFile" "-parameterFileName" "${CMAKE_CURRENT_SOURCE_DIR}/bptiMdRfNoPbcParameters.txt")
-
-SET(TEST_ROOT TestCudaUsingParameterFile)
 SET(TEST_PROG TstCudaUsingParameterFile.cpp)
 SET(TEST_STATIC ${TEST_ROOT}Static)
 SET(INCLUDE_CUDA_STATIC 1)
-#IF(INCLUDE_CUDA_STATIC)
-#   ADD_EXECUTABLE(${TEST_STATIC} ${TEST_PROG})
-#   SET_TARGET_PROPERTIES(${TEST_STATIC}
-#                         PROPERTIES
-#                         COMPILE_FLAGS "-DOPENMM_USE_STATIC_LIBRARIES"
-#                        )
-#   TARGET_LINK_LIBRARIES(${TEST_STATIC} ${STATIC_TARGET} ${STATIC_BROOK_TARGET})
-#   ADD_TEST(${TEST_STATIC} "${EXECUTABLE_OUTPUT_PATH}/TestCudaUsingParameterFileStatic" "-parameterFileName" "${CMAKE_CURRENT_SOURCE_DIR}/lambdaSdObcParameters.txt")
-#   ADD_TEST(${TEST_STATIC} "${EXECUTABLE_OUTPUT_PATH}/TestCudaUsingParameterFileStatic" "-parameterFileName" "${CMAKE_CURRENT_SOURCE_DIR}/bptiMdRfNoPbcParameters.txt")
-#  ADD_TEST(${TEST_STATIC} "${EXECUTABLE_OUTPUT_PATH}/TestCudaUsingParameterFileStatic" "-parameterFileName" "${CMAKE_CURRENT_SOURCE_DIR}/bptiMdRfPbcParameters.txt" " +checkEnergyForceConsistent -checkForces" )
 #ENDIF(INCLUDE_CUDA_STATIC)
 
 install(TARGETS TestCudaHarmonicBondForce