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

Classes
class	SolveTest
	Test fixture. More...
class	SolveTestBody
	Test case whose body checks that spline and spread work. More...

Typedefs
typedef std::tuple < std::string, IVec, std::string, double, double, double, PmeSolveAlgorithm, GridOrdering, bool, int >	SolveInputParameters
	Convenience typedef of the test input parameters. More...

Functions
const char *	enumValueToString (PmeSolveAlgorithm enumValue)
const char *	enumValueToString (GridOrdering enumValue)
std::string	nameOfTest (const testing::TestParamInfo< SolveInputParameters > &info)
	Help GoogleTest name our test cases. More...
std::string	fullNameOfTest (const testing::TestParamInfo< SolveInputParameters > &info, const std::string &testName)
	Help GoogleTest name our test cases. More...

Variables
std::vector< IVec > const	c_inputGridSizes { IVec{ 16, 12, 28 }, IVec{ 9, 7, 23 } }
	A couple of valid inputs for grid sizes.
const std::map< std::string, SparseComplexGridValuesInput >	c_inputGridValues
	Two input complex grids - only non-zero values have to be listed. More...
const auto	c_inputBoxNames = ::testing::Values("rect", "tric")
	Moved out from instantiations for readability.
const auto	c_inputGridNames = ::testing::Values("first", "second")
	Moved out from instantiations for readability.
const auto	c_inputEpsilon_r = ::testing::Values(1.2)
	Moved out from instantiations for readability.
const auto	c_inputEwaldCoeff_q = ::testing::Values(2.0)
	Moved out from instantiations for readability.
const auto	c_inputEwaldCoeff_lj = ::testing::Values(0.7)
	Moved out from instantiations for readability.
const auto	c_inputMethods = ::testing::Values(PmeSolveAlgorithm::Coulomb, PmeSolveAlgorithm::LennardJones)
	Moved out from instantiations for readability.
const auto	c_gridOrderings = ::testing::Values(GridOrdering::XYZ, GridOrdering::YZX)
	Moved out from instantiations for readability.

Typedef Documentation

typedef std::tuple<std::string, IVec, std::string, double, double, double, PmeSolveAlgorithm, GridOrdering, bool, int> gmx::test::anonymous_namespace{pmesolvetest.cpp}::SolveInputParameters

Convenience typedef of the test input parameters.

Parameters:

• unit cell box
• complex grid dimensions
• complex grid values
• electrostatic constant epsilon_r
• Ewald splitting parameter ewaldcoeff_q
• Ewald splitting parameter ewaldcoeff_lj
• solver type
• grid ordering
• whether to compute energy and virial
• PME hardware context index

Output: transformed local grid (Fourier space); optionally reciprocal energy and virial matrix. TODO: Implement and test Lorentz-Berthelot

Function Documentation

std::string gmx::test::anonymous_namespace{pmesolvetest.cpp}::fullNameOfTest	(	const testing::TestParamInfo< SolveInputParameters > &	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 SolveInputParameters affect this name.

std::string gmx::test::anonymous_namespace{pmesolvetest.cpp}::nameOfTest

(

const testing::TestParamInfo< SolveInputParameters > &

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 SolveInputParameters that affect the reference data values affect this name. Hardware context, grid ordering, and whether this test targets energy&virial computation do not affect this name.

Variable Documentation

const std::map<std::string, SparseComplexGridValuesInput> gmx::test::anonymous_namespace{pmesolvetest.cpp}::c_inputGridValues

Initial value:

= {
    { "first",
      SparseComplexGridValuesInput{
              { IVec{ 0, 0, 0 }, t_complex{ 3.5F, 6.7F } },
              { IVec{ 7, 0, 0 }, t_complex{ -2.5F, -0.7F } },
              { IVec{ 3, 5, 7 }, t_complex{ -0.006F, 1e-8F } },
              { IVec{ 3, 1, 2 }, t_complex{ 0.6F, 7.9F } },
              { IVec{ 6, 2, 4 }, t_complex{ 30.1F, 2.45F } },
      } },
    { "second",
      SparseComplexGridValuesInput{
              { IVec{ 0, 4, 0 }, t_complex{ 0.0F, 0.3F } },
              { IVec{ 4, 2, 7 }, t_complex{ 13.76F, -40.0F } },
              { IVec{ 0, 6, 7 }, t_complex{ 3.6F, 0.0F } },
              { IVec{ 2, 5, 10 }, t_complex{ 3.6F, 10.65F } },
      } },
}

Two input complex grids - only non-zero values have to be listed.