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

Classes
class	PmeSolveTest
	Test fixture. More...

Typedefs
typedef std::tuple< Matrix3x3, IVec, SparseComplexGridValuesInput, double, double, double, PmeSolveAlgorithm >	SolveInputParameters
	Convenience typedef of the test input parameters - unit cell box, complex grid dimensions, complex grid values, electrostatic constant epsilon_r, Ewald splitting parameters ewaldcoeff_q and ewaldcoeff_lj, solver type Output: transformed local grid (Fourier space); optionally reciprocal energy and virial matrix. TODO: Implement and test Lorentz-Berthelot.

Variables
static std::vector< Matrix3x3 > const	c_sampleBoxes
	A couple of valid inputs for boxes. More...
static std::vector< IVec > const	c_sampleGridSizes
	A couple of valid inputs for grid sizes. More...
const auto	c_inputBoxes = ::testing::ValuesIn(c_sampleBoxes)
	Moved out from instantiations for readability.
const auto	c_inputGridSizes = ::testing::ValuesIn(c_sampleGridSizes)
	Moved out from instantiations for readability.
static std::vector < SparseComplexGridValuesInput > const	c_sampleGrids
	2 sample complex grids - only non-zero values have to be listed
const auto	c_inputGrids = ::testing::ValuesIn(c_sampleGrids)
	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.

Variable Documentation

std::vector<Matrix3x3> const gmx::test::anonymous_namespace{pmesolvetest.cpp}::c_sampleBoxes

static

Initial value:

{
    
    Matrix3x3 {{
                   8.0f, 0.0f, 0.0f,
                   0.0f, 3.4f, 0.0f,
                   0.0f, 0.0f, 2.0f
               }},
    
    Matrix3x3 {{
                   7.0f, 0.0f, 0.0f,
                   0.0f, 4.1f, 0.0f,
                   3.5f, 2.0f, 12.2f
               }},
}

A couple of valid inputs for boxes.

std::vector<IVec> const gmx::test::anonymous_namespace{pmesolvetest.cpp}::c_sampleGridSizes

static

Initial value:

{
    IVec {
        16, 12, 28
    },
    IVec {
        9, 7, 23
    }
}

A couple of valid inputs for grid sizes.