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, real >	combineLJParams (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" }