position_restraints.cpp File Reference

#include "gmxpre.h"
#include "gromacs/listed_forces/position_restraints.h"
#include <cmath>
#include <memory>
#include <gtest/gtest.h>
#include "gromacs/gmxlib/nrnb.h"
#include "gromacs/listed_forces/listed_forces.h"
#include "gromacs/math/vec.h"
#include "gromacs/math/vectypes.h"
#include "gromacs/mdtypes/enerdata.h"
#include "gromacs/mdtypes/forceoutput.h"
#include "gromacs/mdtypes/forcerec.h"
#include "gromacs/mdtypes/inputrec.h"
#include "gromacs/mdtypes/interaction_const.h"
#include "gromacs/mdtypes/mdatom.h"
#include "gromacs/mdtypes/nblist.h"
#include "gromacs/mdtypes/simulation_workload.h"
#include "gromacs/pbcutil/pbc.h"
#include "gromacs/tables/forcetable.h"
#include "gromacs/topology/forcefieldparameters.h"
#include "gromacs/topology/idef.h"
#include "gromacs/utility/fatalerror.h"
#include "gromacs/utility/stringstream.h"
#include "testutils/refdata.h"
#include "testutils/testasserts.h"

Include dependency graph for position_restraints.cpp:

Description

Implements position restraint tests.

Author

Kevin Boyd kevin.nosp@m.44bo.nosp@m.yd@gm.nosp@m.ail..nosp@m.com

Variables
constexpr float	gmx::test::anonymous_namespace{position_restraints.cpp}::c_precisionTolerance = 1e-6
	Tolerance for float evaluation.
std::array< real, static_cast < size_t > FreeEnergyPerturbationCouplingType::Count)>	gmx::test::anonymous_namespace{position_restraints.cpp}::c_emptyLambdas = { { 0 } }
std::vector< PbcType >	gmx::test::anonymous_namespace{position_restraints.cpp}::c_pbcForTests = { PbcType::No, PbcType::XY, PbcType::Xyz }
	PBC values for testing.
std::vector< RefCoordScaling >	gmx::test::anonymous_namespace{position_restraints.cpp}::c_refCoordScalingForTests
	Reference Coordinate Scaling values for testing. More...