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gmx::test::anonymous_namespace{kernel_test.cpp} Namespace Reference

Classes

struct  KernelOptions
 The options for the kernel. More...
 
struct  TestSystem
 Description of the system used for benchmarking. More...
 
struct  KernelInputParameters
 Convenience typedef of the test input parameters. More...
 
class  NbnxmKernelTest
 Class that sets up and holds a set of N atoms and a full NxM pairlist. More...
 

Functions

std::pair< real, realcombineLJParams (const real sigma0, const real epsilon0, const real sigma1, const real epsilon1, const LJCombinationRule ljCombinationRule)
 Generate a C6, C12 pair using the combination rule.
 
int combRuleInitFromOptions (const KernelOptions &options)
 Returns the enum value for initializing the combination rule for nbxnm_atomdata_t.
 
std::unique_ptr
< nonbonded_verlet_t
setupNbnxmForBenchInstance (const KernelOptions &options, const TestSystem &system)
 Sets up and returns a Nbnxm object for the given benchmark options and system.
 
CoulombInteractionType coulombInteractionType (CoulombKernelType coulombKernelType)
 Returns the coulomb interaction type given the Coulomb kernel type.
 
interaction_const_t setupInteractionConst (const KernelOptions &options)
 Return an interaction constants struct with members used in the benchmark set appropriately.
 
std::string nameOfTest (const testing::TestParamInfo< KernelInputParameters > &info)
 Help GoogleTest name our test cases. More...
 
bool isTabulated (const CoulombKernelType coulombKernelType)
 
std::string fullNameOfTest (const testing::TestParamInfo< KernelInputParameters > &info, const std::string &testName)
 Help GoogleTest name our test cases. More...
 
std::string makeRefDataFileName ()
 

Variables

constexpr int numAtomsInMolecule = 3
 The number of atoms in a molecule.
 
constexpr int typeO = 0
 The atom type of the oxygen atom.
 
constexpr int typeHWithLJ = 1
 The atom type of a hydrogen atom with LJ.
 
constexpr int typeHWithoutLJ = 2
 The atom type of a hydrogen atom without LJ.
 
constexpr real chargeO = -0.8476
 The charge of the oxygen atom.
 
constexpr real chargeH = 0.4238
 The charge of the hydrogen atom.
 
constexpr real sigmaO = 0.316557
 The LJ sigma parameter of the Oxygen atom.
 
constexpr real epsilonO = 0.650194
 The LJ epsilon parameter of the Oxygen atom.
 
constexpr real sigmaH = 0.04
 The LJ sigma parameter of Hydrogen atoms with LJ.
 
constexpr real epsilonH = 0.192464
 The LJ epsilon parameter Hydrogen atoms with LJ.
 
const int c_numEnergyGroups = 3
 
const EnumerationArray
< CoulombKernelType, const
char * > 
coulombKernelTypeName
 
const std::array< const char
*, vdwktNR > 
vdwKernelTypeName
 

Function Documentation

std::string gmx::test::anonymous_namespace{kernel_test.cpp}::fullNameOfTest ( const testing::TestParamInfo< KernelInputParameters > &  info,
const std::string &  testName 
)

Help GoogleTest name our test cases.

This is intended to work like a custom test-naming function that would be passed as the fourth argument to INSTANTIATE_TEST_SUITE_P, except that we are not using that macro for these tests. All components of GatherInputParameters affect this name.

std::string gmx::test::anonymous_namespace{kernel_test.cpp}::nameOfTest ( const testing::TestParamInfo< KernelInputParameters > &  info)

Help GoogleTest name our test cases.

This is intended to work like a custom test-naming function that would be passed as the fourth argument to INSTANTIATE_TEST_SUITE_P, except that we are not using that macro for these tests. Only the components of KernelInputParameters that affect the reference data values affect this name. name.

Variable Documentation

const EnumerationArray<CoulombKernelType, const char*> gmx::test::anonymous_namespace{kernel_test.cpp}::coulombKernelTypeName
Initial value:
= { "ReactionField",
"Table",
"TableTwin",
"Ewald",
"EwaldTwin" }
const std::array<const char*, vdwktNR> gmx::test::anonymous_namespace{kernel_test.cpp}::vdwKernelTypeName
Initial value:
= { "CutCombGeom", "CutCombLB",
"CutCombNone", "ForceSwitch",
"PotSwitch", "EwaldCombGeom" }