Gromacs
2018.8
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#include "gmxpre.h"
#include <string>
#include <gmock/gmock.h>
#include "gromacs/ewald/pme-internal.h"
#include "gromacs/math/vectypes.h"
#include "gromacs/mdtypes/inputrec.h"
#include "gromacs/utility/stringutil.h"
#include "testutils/refdata.h"
#include "testutils/testasserts.h"
#include "pmetestcommon.h"
Implements PME B-spline moduli computation tests.
Classes | |
class | gmx::test::anonymous_namespace{pmebsplinetest.cpp}::PmeBSplineModuliTest |
Test fixture for testing PME B-spline moduli creation. More... | |
Typedefs | |
typedef std::tuple< IVec, int, ModuliType > | gmx::test::anonymous_namespace{pmebsplinetest.cpp}::BSplineModuliInputParameters |
Convenience typedef of input parameters - grid dimensions, PME interpolation order, moduli type. More... | |
using | gmx::test::anonymous_namespace{pmebsplinetest.cpp}::PmeBSplineModuliFailureTest = PmeBSplineModuliTest |
Failure test alias. | |
using | gmx::test::anonymous_namespace{pmebsplinetest.cpp}::PmeBSplineModuliCorrectnessTest = PmeBSplineModuliTest |
Correctness test alias. | |
Enumerations | |
enum | gmx::test::anonymous_namespace{pmebsplinetest.cpp}::ModuliType { PME, P3M } |
Moduli algorithm type. | |
Variables | |
const int | gmx::test::anonymous_namespace{pmebsplinetest.cpp}::sanePmeOrder = 4 |
Sane interpolation order. | |
const IVec | gmx::test::anonymous_namespace{pmebsplinetest.cpp}::saneGridSize = {32, 25, 47} |
Sane grid size. | |
static std::vector< IVec > const | gmx::test::anonymous_namespace{pmebsplinetest.cpp}::sampleGridSizes |
A couple of valid inputs for grid sizes. It is good to test both even and odd dimensions. More... | |