Gromacs
2024.4
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#include "gmxpre.h"
#include <string>
#include <unordered_map>
#include <gmock/gmock.h>
#include "gromacs/mdtypes/inputrec.h"
#include "gromacs/utility/stringutil.h"
#include "testutils/refdata.h"
#include "testutils/test_hardware_environment.h"
#include "testutils/testasserts.h"
#include "testutils/testinit.h"
#include "pmetestcommon.h"
Implements PME spline computation and charge spreading tests.
Classes | |
class | gmx::test::anonymous_namespace{pmesplinespreadtest.cpp}::SplineAndSpreadTest |
Test fixture for testing both atom spline parameter computation and charge spreading. These 2 stages of PME are tightly coupled in the code. More... | |
class | gmx::test::anonymous_namespace{pmesplinespreadtest.cpp}::SplineAndSpreadTestBody |
Test case whose body checks that spline and spread work. More... | |
Typedefs | |
typedef std::tuple < std::string, int, IVec, std::string, int, SplineAndSpreadOptions > | gmx::test::anonymous_namespace{pmesplinespreadtest.cpp}::SplineAndSpreadInputParameters |
Convenience typedef of input parameters. More... | |
Enumerations | |
enum | gmx::test::anonymous_namespace{pmesplinespreadtest.cpp}::SplineAndSpreadOptions { SplineOnly, SpreadOnly, SplineAndSpreadUnified, Count } |
PME spline and spread code path being tested. | |
Functions | |
std::string | gmx::test::anonymous_namespace{pmesplinespreadtest.cpp}::nameOfTest (const testing::TestParamInfo< SplineAndSpreadInputParameters > &info) |
Help GoogleTest name our test cases. More... | |
const char * | gmx::test::anonymous_namespace{pmesplinespreadtest.cpp}::enumValueToString (SplineAndSpreadOptions enumValue) |
std::string | gmx::test::anonymous_namespace{pmesplinespreadtest.cpp}::fullNameOfTest (const testing::TestParamInfo< SplineAndSpreadInputParameters > &info, const std::string &testName) |
Help GoogleTest name our test cases. More... | |
void | gmx::test::registerDynamicalPmeSplineSpreadTests (Range< int > contextIndexRange) |
Functions that dynamically register test cases. More... | |
Variables | |
std::vector< IVec > const | gmx::test::anonymous_namespace{pmesplinespreadtest.cpp}::c_inputGridSizes { IVec{ 16, 12, 14 }, IVec{ 19, 17, 11 } } |
A couple of valid inputs for grid sizes. | |
const std::unordered_map < std::string, TestSystem > | gmx::test::anonymous_namespace{pmesplinespreadtest.cpp}::c_testSystems |
const auto | gmx::test::anonymous_namespace{pmesplinespreadtest.cpp}::c_inputBoxNames = ::testing::Values("rect", "tric") |
Moved out from instantiations for readability. | |
const auto | gmx::test::anonymous_namespace{pmesplinespreadtest.cpp}::c_inputGridNames = ::testing::Values("first", "second") |
Moved out from instantiations for readability. | |
const auto | gmx::test::anonymous_namespace{pmesplinespreadtest.cpp}::c_inputTestSystemNames = ::testing::Values("1 atom", "2 atoms", "13 atoms") |
Moved out from instantiations for readability. | |