Inherits Test.

Description

Provides a temporary file manager and a gmx_mtop_t struct for testing.

Static Public Member Functions
static void	makeMtopFromFile (const std::string &simulationName, const std::string &mdpContent, gmx_mtop_t *mtop)
	Generates tpr file from .top and .gro existing in the simulation database directory and custom `mdpContent` and loads gmx_mtop_t from it. More...

static void	checkTopologyInfo (const QMMMTopologyInfo &info, const gmx_mtop_t &mtop, TestReferenceChecker *checker)
	Helper function to check the processed topology. More...

Member Function Documentation

static void gmx::test::NNPotTopologyPreprocessorTest::checkTopologyInfo	(	const QMMMTopologyInfo &	info,
		const gmx_mtop_t &	mtop,
		TestReferenceChecker *	checker
	)

inlinestatic

Helper function to check the processed topology.

Parameters

[in]	info	QMMMTopologyInfo struct to check
[in]	mtop	gmx_mtop_t struct to check modified molblocks
[in]	checker	TestReferenceChecker to use for checking

static void gmx::test::NNPotTopologyPreprocessorTest::makeMtopFromFile	(	const std::string &	simulationName,
		const std::string &	mdpContent,
		gmx_mtop_t *	mtop
	)

inlinestatic

Generates tpr file from *.top and *.gro existing in the simulation database directory and custom mdpContent and loads gmx_mtop_t from it.

Parameters

[in]	simulationName	Name of the simulation database directory
[in]	mdpContent	Content of the mdp file
[out]	mtop	gmx_mtop_t struct to load the topology into

The documentation for this class was generated from the following file: