atoms.cpp File Reference

#include "gmxpre.h"
#include "gromacs/topology/atoms.h"
#include <memory>
#include <optional>
#include <string>
#include <gtest/gtest-param-test.h>
#include <gtest/gtest.h>
#include "gromacs/topology/symtab.h"
#include "gromacs/utility/arrayref.h"
#include "gromacs/utility/exceptions.h"
#include "gromacs/utility/inmemoryserializer.h"
#include "gromacs/utility/iserializer.h"
#include "gromacs/utility/strconvert.h"
#include "gromacs/utility/stringutil.h"
#include "testutils/refdata.h"
#include "testutils/testasserts.h"
#include "testutils/testmatchers.h"

Include dependency graph for atoms.cpp:

Description

Tests for atoms datastructures.

Author

Paul Bauer paul..nosp@m.baue.nosp@m.r.q@g.nosp@m.mail.nosp@m..com

Typedefs
using	SimulationParticleTestParameters = std::tuple< std::optional< ParticleMass >, std::optional< ParticleCharge >, std::optional< ParticleTypeValue >, bool >

Functions
template<typename T >
void	checkParticleValue (TestReferenceChecker *checker, bool haveBState, const T &valueA, const T &valueB, const std::string &fieldName)
void	checkParticleMiscInfo (TestReferenceChecker *checker, ParticleType type, gmx::Index resind, int atomnumber, const std::string &elem)
void	checkParticle (TestReferenceChecker *checker, const SimulationParticle &particle)

Variables
const ParticleMass	testParticleMassOneState { 0.1 }
const ParticleMass	testParticleMassTwoState { 0.2, 0.3 }
const ParticleCharge	testParticleChargeOneState { 0.4 }
const ParticleCharge	testParticleChargeTwoState { 0.5, 0.6 }
const ParticleTypeValue	testParticleTypeValueOneState { 7 }
const ParticleTypeValue	testParticleTypeValueTwoState { 8, 9 }