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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

std::vector< Matrix3x3 > const c_sampleBoxes
 A couple of valid inputs for boxes. More...
 
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.
 
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
Initial value:
{
8.0f, 0.0f, 0.0f,
0.0f, 3.4f, 0.0f,
0.0f, 0.0f, 2.0f
}},
7.0f, 0.0f, 0.0f,
0.0f, 4.1f, 0.0f,
3.5f, 2.0f, 12.2f
}},
}
std::array< real, 3 *3 > Matrix3x3
TODO: make proper C++ matrix for the whole Gromacs, get rid of this.
Definition: pmetestcommon.h:96

A couple of valid inputs for boxes.

std::vector<IVec> const gmx::test::anonymous_namespace{pmesolvetest.cpp}::c_sampleGridSizes
Initial value:
{
IVec {
16, 12, 28
},
IVec {
9, 7, 23
}
}
BasicVector< int > IVec
Shorthand for C++ ivec-equivalent type.
Definition: vectypes.h:318

A couple of valid inputs for grid sizes.