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Classes | Typedefs | Variables
pmesolvetest.cpp File Reference
#include "gmxpre.h"
#include <string>
#include <gmock/gmock.h>
#include "gromacs/mdtypes/inputrec.h"
#include "gromacs/utility/stringutil.h"
#include "testutils/refdata.h"
#include "testutils/testasserts.h"
#include "pmetestcommon.h"
+ Include dependency graph for pmesolvetest.cpp:

Description

Implements PME solving tests.

Author
Aleksei Iupinov a.yup.nosp@m.inov.nosp@m.@gmai.nosp@m.l.co.nosp@m.m

Classes

class  gmx::test::anonymous_namespace{pmesolvetest.cpp}::PmeSolveTest
 Test fixture. More...
 

Typedefs

typedef std::tuple< Matrix3x3,
IVec,
SparseComplexGridValuesInput,
double, double, double,
PmeSolveAlgorithm > 
gmx::test::anonymous_namespace{pmesolvetest.cpp}::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 gmx::test::anonymous_namespace{pmesolvetest.cpp}::c_sampleBoxes
 A couple of valid inputs for boxes. More...
 
std::vector< IVec > const gmx::test::anonymous_namespace{pmesolvetest.cpp}::c_sampleGridSizes { IVec{ 16, 12, 28 }, IVec{ 9, 7, 23 } }
 A couple of valid inputs for grid sizes.
 
const auto gmx::test::anonymous_namespace{pmesolvetest.cpp}::c_inputBoxes = ::testing::ValuesIn(c_sampleBoxes)
 Moved out from instantiations for readability.
 
const auto gmx::test::anonymous_namespace{pmesolvetest.cpp}::c_inputGridSizes = ::testing::ValuesIn(c_sampleGridSizes)
 Moved out from instantiations for readability.
 
std::vector
< SparseComplexGridValuesInput >
const 
gmx::test::anonymous_namespace{pmesolvetest.cpp}::c_sampleGrids
 2 sample complex grids - only non-zero values have to be listed More...
 
const auto gmx::test::anonymous_namespace{pmesolvetest.cpp}::c_inputGrids = ::testing::ValuesIn(c_sampleGrids)
 Moved out from instantiations for readability.
 
const auto gmx::test::anonymous_namespace{pmesolvetest.cpp}::c_inputEpsilon_r = ::testing::Values(1.2)
 Moved out from instantiations for readability.
 
const auto gmx::test::anonymous_namespace{pmesolvetest.cpp}::c_inputEwaldCoeff_q = ::testing::Values(2.0)
 Moved out from instantiations for readability.
 
const auto gmx::test::anonymous_namespace{pmesolvetest.cpp}::c_inputEwaldCoeff_lj = ::testing::Values(0.7)
 Moved out from instantiations for readability.
 
const auto gmx::test::anonymous_namespace{pmesolvetest.cpp}::c_inputMethods = ::testing::Values(PmeSolveAlgorithm::Coulomb, PmeSolveAlgorithm::LennardJones)
 Moved out from instantiations for readability.