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

Classes
struct	SplineData
	A structure for all the spline data which depends in size both on the PME order and atom count. More...
struct	TestSystem
	A structure for the input atom data, which depends in size on atom count. More...
class	GatherTest
	Test fixture. More...
class	GatherTestBody
	Test case whose body checks that gather works. More...

Typedefs
typedef std::tuple < std::string, int, IVec, std::string, std::string, int >	GatherInputParameters
	Convenience typedef of the test input parameters. More...

Functions
SplineData	getSplineData (const int pmeOrder, const int atomCount)
	Return synthetic spline data to gather.
std::string	nameOfTest (const testing::TestParamInfo< GatherInputParameters > &info)
	Help GoogleTest name our test cases. More...
std::string	fullNameOfTest (const testing::TestParamInfo< GatherInputParameters > &info, const std::string &testName)
	Help GoogleTest name our test cases. More...

Variables
std::vector< IVec > const	c_inputGridSizes { IVec{ 16, 12, 14 }, IVec{ 13, 15, 11 } }
	A couple of valid inputs for grid sizes.
const std::map< std::string, SparseRealGridValuesInput >	c_inputGrids
	Two input grids - only non-zero values have to be listed. More...
std::vector< RVec > const	c_sampleForcesFull
	Input forces for reduction. More...
std::map< std::string, TestSystem >	c_testSystems
	Test systems to use. 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_inputTestSystemNames = ::testing::Values("1 atom", "2 atoms", "13 atoms")
	Moved out from instantiations for readability.

Typedef Documentation

typedef std::tuple<std::string, int, IVec, std::string, std::string, int> gmx::test::anonymous_namespace{pmegathertest.cpp}::GatherInputParameters

Convenience typedef of the test input parameters.

Parameters:

• unit cell box
• PME interpolation order
• grid dimensions
• grid values
• test system
• PME hardware context index

Function Documentation

std::string gmx::test::anonymous_namespace{pmegathertest.cpp}::fullNameOfTest	(	const testing::TestParamInfo< GatherInputParameters > &	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{pmegathertest.cpp}::nameOfTest

(

const testing::TestParamInfo< GatherInputParameters > &

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 GatherInputParameters that affect the reference data values affect this name. Hardware context does not affect this name.

Variable Documentation

const std::map<std::string, SparseRealGridValuesInput> gmx::test::anonymous_namespace{pmegathertest.cpp}::c_inputGrids

Initial value:

= {
    { "first",
      SparseRealGridValuesInput{
              { IVec{ 0, 0, 0 }, 3.5F },
              { IVec{ 7, 0, 0 }, -2.5F },
              { IVec{ 3, 5, 7 }, -0.006F },
              { IVec{ 1, 6, 7 }, -2.76F },
              { IVec{ 3, 1, 2 }, 0.6F },
              { IVec{ 6, 2, 4 }, 7.1F },
              { IVec{ 4, 5, 6 }, 4.1F },
              { IVec{ 4, 4, 6 }, -3.7F },
      } },
    { "second",
      SparseRealGridValuesInput{
              { IVec{ 0, 4, 0 }, 6.F },
              { IVec{ 4, 2, 7 }, 13.76F },
              { IVec{ 0, 6, 7 }, 3.6F },
              { IVec{ 3, 2, 8 }, 0.61F },
              { IVec{ 5, 4, 3 }, 2.1F },
              { IVec{ 2, 5, 10 }, 3.6F },
              { IVec{ 5, 3, 6 }, 2.1F },
              { IVec{ 6, 6, 6 }, 6.1F },
      } }
}

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

std::vector<RVec> const gmx::test::anonymous_namespace{pmegathertest.cpp}::c_sampleForcesFull

Initial value:

{
    RVec{ 0.02F, 0.87F, 0.95F }, RVec{ 0.66F, 0.67F, 0.38F }, RVec{ 0.45F, 0.04F, 0.94F },
    RVec{ 0.54F, 0.76F, 0.58F }, RVec{ 0.83F, 0.31F, 0.73F }, RVec{ 0.71F, 0.06F, 0.35F },
    RVec{ 0.32F, 0.35F, 0.61F }, RVec{ 0.27F, 0.98F, 0.83F }, RVec{ 0.11F, 0.3F, 0.42F },
    RVec{ 0.95F, 0.69F, 0.58F }, RVec{ 0.29F, 0.1F, 0.68F },  RVec{ 0.94F, 0.62F, 0.51F },
    RVec{ 0.47F, 0.04F, 0.47F }, RVec{ 0.34F, 0.71F, 0.52F }
}

Input forces for reduction.

std::map<std::string, TestSystem> gmx::test::anonymous_namespace{pmegathertest.cpp}::c_testSystems

Initial value:

= {
    { "1 atom",
      { GridLineIndicesVector{ { IVec(4, 2, 6) } },
        ChargesVector{ 4.95F },
        CoordinatesVector(1, { 1e6, 1e7, -1e8 }) } },
    { "2 atoms",
      { GridLineIndicesVector{ { IVec(1, 4, 10), IVec(0, 6, 6) } },
        ChargesVector{ { 3.11F, 3.97F } },
        CoordinatesVector(2, { 1e6, 1e7, -1e8 }) } },
    { "13 atoms",
      { GridLineIndicesVector{ {
                IVec{ 0, 1, 4 },
                IVec{ 6, 3, 0 },
                IVec{ 7, 2, 2 },
                IVec{ 8, 3, 1 },
                IVec{ 4, 0, 3 },
                IVec{ 0, 0, 0 },
                IVec{ 8, 5, 8 },
                IVec{ 4, 4, 2 },
                IVec{ 7, 1, 7 },
                IVec{ 8, 5, 5 },
                IVec{ 2, 6, 5 },
                IVec{ 1, 6, 2 },
                IVec{ 7, 1, 8 },
        } },
        ChargesVector{ { 1.08F, 2.09F, 1.1F, 4.13F, 3.31F, 2.8F, 5.83F, 5.09F, 6.1F, 2.86F, 0.24F, 5.76F, 5.19F } },
        CoordinatesVector(13, { 1e6, 1e7, -1e8 }) } },
}

Test systems to use.

The coordinates are intentionally bogus in this test - only the size matters; the gridline indices are fed directly as inputs