Gromacs
2024.4
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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. | |
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. | |
std::vector < BSplineModuliInputParameters > const | gmx::test::anonymous_namespace{pmebsplinetest.cpp}::invalidInputs |
Hand-picked invalid input for the exception tests. More... | |
std::vector< IVec > const | gmx::test::anonymous_namespace{pmebsplinetest.cpp}::sampleGridSizes { IVec{ 64, 32, 64 }, IVec{ 57, 84, 29 } } |
A couple of valid inputs for grid sizes. It is good to test both even and odd dimensions. | |