gmx::test::anonymous_namespace{pull_rotation.cpp} Namespace Reference

Classes
class	RotationTest
	Parameterized test fixture for enforced rotation. More...

Typedefs
typedef std::tuple < std::string, double, double >	Parameters
	Convenience type to provide test parameters as a single argument.

Functions
void	checkRotForcesAtStepZero (const std::string &fn, const std::vector< std::vector< double >> &reference)
	Compare the forces at the first step to the reference.
real	getFirstRotEnergyValue (const std::string &fn)
	Return the first entry for the rotational energy stored in the .edr file.

Variables
std::map< std::string, std::vector< std::vector < double > > >	referenceForces
	Reference forces per potential resulting from a 5 degree rotation.