From fd2b5b1cd88406b71842d9aa5b7f67758c30f9f5 Mon Sep 17 00:00:00 2001 From: Axel Kohlmeyer Date: Tue, 14 Jul 2020 12:45:54 -0400 Subject: [PATCH] switch completed section from EXPECT to ASSERT --- unittest/formats/test_atom_styles.cpp | 630 +++++++++++++------------- 1 file changed, 320 insertions(+), 310 deletions(-) diff --git a/unittest/formats/test_atom_styles.cpp b/unittest/formats/test_atom_styles.cpp index 8864014077..f2395ee035 100644 --- a/unittest/formats/test_atom_styles.cpp +++ b/unittest/formats/test_atom_styles.cpp @@ -2692,195 +2692,195 @@ TEST_F(AtomStyleTest, body_nparticle) ASSERT_THAT(std::string(lmp->atom->atom_style), Eq("body")); auto avec = (AtomVecBody *)lmp->atom->avec; - EXPECT_NE(lmp->atom->avec, nullptr); - EXPECT_NE(avec->bptr, nullptr); - EXPECT_THAT(std::string(avec->bptr->style), Eq("nparticle")); + ASSERT_NE(lmp->atom->avec, nullptr); + ASSERT_NE(avec->bptr, nullptr); + ASSERT_THAT(std::string(avec->bptr->style), Eq("nparticle")); - EXPECT_EQ(lmp->atom->natoms, 0); - EXPECT_EQ(lmp->atom->nlocal, 0); - EXPECT_EQ(lmp->atom->nghost, 0); - EXPECT_EQ(lmp->atom->nmax, 1); - EXPECT_EQ(lmp->atom->tag_enable, 1); - EXPECT_EQ(lmp->atom->molecular, 0); - EXPECT_EQ(lmp->atom->nellipsoids, 0); - EXPECT_EQ(lmp->atom->nlines, 0); - EXPECT_EQ(lmp->atom->ntris, 0); - EXPECT_EQ(lmp->atom->nbodies, 0); - EXPECT_EQ(lmp->atom->nbonds, 0); - EXPECT_EQ(lmp->atom->nangles, 0); - EXPECT_EQ(lmp->atom->ndihedrals, 0); - EXPECT_EQ(lmp->atom->nimpropers, 0); - EXPECT_EQ(lmp->atom->ntypes, 0); - EXPECT_EQ(lmp->atom->nbondtypes, 0); - EXPECT_EQ(lmp->atom->nangletypes, 0); - EXPECT_EQ(lmp->atom->ndihedraltypes, 0); - EXPECT_EQ(lmp->atom->nimpropertypes, 0); - EXPECT_EQ(lmp->atom->bond_per_atom, 0); - EXPECT_EQ(lmp->atom->angle_per_atom, 0); - EXPECT_EQ(lmp->atom->dihedral_per_atom, 0); - EXPECT_EQ(lmp->atom->improper_per_atom, 0); - EXPECT_EQ(lmp->atom->extra_bond_per_atom, 0); - EXPECT_EQ(lmp->atom->extra_angle_per_atom, 0); - EXPECT_EQ(lmp->atom->extra_dihedral_per_atom, 0); - EXPECT_EQ(lmp->atom->extra_improper_per_atom, 0); + ASSERT_EQ(lmp->atom->natoms, 0); + ASSERT_EQ(lmp->atom->nlocal, 0); + ASSERT_EQ(lmp->atom->nghost, 0); + ASSERT_EQ(lmp->atom->nmax, 1); + ASSERT_EQ(lmp->atom->tag_enable, 1); + ASSERT_EQ(lmp->atom->molecular, 0); + ASSERT_EQ(lmp->atom->nellipsoids, 0); + ASSERT_EQ(lmp->atom->nlines, 0); + ASSERT_EQ(lmp->atom->ntris, 0); + ASSERT_EQ(lmp->atom->nbodies, 0); + ASSERT_EQ(lmp->atom->nbonds, 0); + ASSERT_EQ(lmp->atom->nangles, 0); + ASSERT_EQ(lmp->atom->ndihedrals, 0); + ASSERT_EQ(lmp->atom->nimpropers, 0); + ASSERT_EQ(lmp->atom->ntypes, 0); + ASSERT_EQ(lmp->atom->nbondtypes, 0); + ASSERT_EQ(lmp->atom->nangletypes, 0); + ASSERT_EQ(lmp->atom->ndihedraltypes, 0); + ASSERT_EQ(lmp->atom->nimpropertypes, 0); + ASSERT_EQ(lmp->atom->bond_per_atom, 0); + ASSERT_EQ(lmp->atom->angle_per_atom, 0); + ASSERT_EQ(lmp->atom->dihedral_per_atom, 0); + ASSERT_EQ(lmp->atom->improper_per_atom, 0); + ASSERT_EQ(lmp->atom->extra_bond_per_atom, 0); + ASSERT_EQ(lmp->atom->extra_angle_per_atom, 0); + ASSERT_EQ(lmp->atom->extra_dihedral_per_atom, 0); + ASSERT_EQ(lmp->atom->extra_improper_per_atom, 0); - EXPECT_EQ(lmp->atom->sphere_flag, 0); - EXPECT_EQ(lmp->atom->ellipsoid_flag, 0); - EXPECT_EQ(lmp->atom->line_flag, 0); - EXPECT_EQ(lmp->atom->tri_flag, 0); - EXPECT_EQ(lmp->atom->body_flag, 1); - EXPECT_EQ(lmp->atom->peri_flag, 0); - EXPECT_EQ(lmp->atom->electron_flag, 0); - EXPECT_EQ(lmp->atom->wavepacket_flag, 0); - EXPECT_EQ(lmp->atom->sph_flag, 0); - EXPECT_EQ(lmp->atom->molecule_flag, 0); - EXPECT_EQ(lmp->atom->molindex_flag, 0); - EXPECT_EQ(lmp->atom->molatom_flag, 0); - EXPECT_EQ(lmp->atom->q_flag, 0); - EXPECT_EQ(lmp->atom->mu_flag, 0); - EXPECT_EQ(lmp->atom->rmass_flag, 1); - EXPECT_EQ(lmp->atom->radius_flag, 1); - EXPECT_EQ(lmp->atom->omega_flag, 0); - EXPECT_EQ(lmp->atom->torque_flag, 1); - EXPECT_EQ(lmp->atom->angmom_flag, 1); - EXPECT_EQ(lmp->atom->vfrac_flag, 0); - EXPECT_EQ(lmp->atom->spin_flag, 0); - EXPECT_EQ(lmp->atom->eradius_flag, 0); - EXPECT_EQ(lmp->atom->ervel_flag, 0); - EXPECT_EQ(lmp->atom->erforce_flag, 0); - EXPECT_EQ(lmp->atom->cs_flag, 0); - EXPECT_EQ(lmp->atom->csforce_flag, 0); - EXPECT_EQ(lmp->atom->vforce_flag, 0); - EXPECT_EQ(lmp->atom->ervelforce_flag, 0); - EXPECT_EQ(lmp->atom->etag_flag, 0); - EXPECT_EQ(lmp->atom->rho_flag, 0); - EXPECT_EQ(lmp->atom->esph_flag, 0); - EXPECT_EQ(lmp->atom->cv_flag, 0); - EXPECT_EQ(lmp->atom->vest_flag, 0); - EXPECT_EQ(lmp->atom->dpd_flag, 0); - EXPECT_EQ(lmp->atom->edpd_flag, 0); - EXPECT_EQ(lmp->atom->tdpd_flag, 0); - EXPECT_EQ(lmp->atom->mesont_flag, 0); - EXPECT_EQ(lmp->atom->sp_flag, 0); - EXPECT_EQ(lmp->atom->x0_flag, 0); - EXPECT_EQ(lmp->atom->smd_flag, 0); - EXPECT_EQ(lmp->atom->damage_flag, 0); - EXPECT_EQ(lmp->atom->contact_radius_flag, 0); - EXPECT_EQ(lmp->atom->smd_data_9_flag, 0); - EXPECT_EQ(lmp->atom->smd_stress_flag, 0); - EXPECT_EQ(lmp->atom->eff_plastic_strain_flag, 0); - EXPECT_EQ(lmp->atom->eff_plastic_strain_rate_flag, 0); - EXPECT_EQ(lmp->atom->pdscale, 1.0); + ASSERT_EQ(lmp->atom->sphere_flag, 0); + ASSERT_EQ(lmp->atom->ellipsoid_flag, 0); + ASSERT_EQ(lmp->atom->line_flag, 0); + ASSERT_EQ(lmp->atom->tri_flag, 0); + ASSERT_EQ(lmp->atom->body_flag, 1); + ASSERT_EQ(lmp->atom->peri_flag, 0); + ASSERT_EQ(lmp->atom->electron_flag, 0); + ASSERT_EQ(lmp->atom->wavepacket_flag, 0); + ASSERT_EQ(lmp->atom->sph_flag, 0); + ASSERT_EQ(lmp->atom->molecule_flag, 0); + ASSERT_EQ(lmp->atom->molindex_flag, 0); + ASSERT_EQ(lmp->atom->molatom_flag, 0); + ASSERT_EQ(lmp->atom->q_flag, 0); + ASSERT_EQ(lmp->atom->mu_flag, 0); + ASSERT_EQ(lmp->atom->rmass_flag, 1); + ASSERT_EQ(lmp->atom->radius_flag, 1); + ASSERT_EQ(lmp->atom->omega_flag, 0); + ASSERT_EQ(lmp->atom->torque_flag, 1); + ASSERT_EQ(lmp->atom->angmom_flag, 1); + ASSERT_EQ(lmp->atom->vfrac_flag, 0); + ASSERT_EQ(lmp->atom->spin_flag, 0); + ASSERT_EQ(lmp->atom->eradius_flag, 0); + ASSERT_EQ(lmp->atom->ervel_flag, 0); + ASSERT_EQ(lmp->atom->erforce_flag, 0); + ASSERT_EQ(lmp->atom->cs_flag, 0); + ASSERT_EQ(lmp->atom->csforce_flag, 0); + ASSERT_EQ(lmp->atom->vforce_flag, 0); + ASSERT_EQ(lmp->atom->ervelforce_flag, 0); + ASSERT_EQ(lmp->atom->etag_flag, 0); + ASSERT_EQ(lmp->atom->rho_flag, 0); + ASSERT_EQ(lmp->atom->esph_flag, 0); + ASSERT_EQ(lmp->atom->cv_flag, 0); + ASSERT_EQ(lmp->atom->vest_flag, 0); + ASSERT_EQ(lmp->atom->dpd_flag, 0); + ASSERT_EQ(lmp->atom->edpd_flag, 0); + ASSERT_EQ(lmp->atom->tdpd_flag, 0); + ASSERT_EQ(lmp->atom->mesont_flag, 0); + ASSERT_EQ(lmp->atom->sp_flag, 0); + ASSERT_EQ(lmp->atom->x0_flag, 0); + ASSERT_EQ(lmp->atom->smd_flag, 0); + ASSERT_EQ(lmp->atom->damage_flag, 0); + ASSERT_EQ(lmp->atom->contact_radius_flag, 0); + ASSERT_EQ(lmp->atom->smd_data_9_flag, 0); + ASSERT_EQ(lmp->atom->smd_stress_flag, 0); + ASSERT_EQ(lmp->atom->eff_plastic_strain_flag, 0); + ASSERT_EQ(lmp->atom->eff_plastic_strain_rate_flag, 0); + ASSERT_EQ(lmp->atom->pdscale, 1.0); - EXPECT_NE(lmp->atom->tag, nullptr); - EXPECT_NE(lmp->atom->type, nullptr); - EXPECT_NE(lmp->atom->mask, nullptr); - EXPECT_NE(lmp->atom->image, nullptr); - EXPECT_NE(lmp->atom->x, nullptr); - EXPECT_NE(lmp->atom->v, nullptr); - EXPECT_NE(lmp->atom->f, nullptr); - EXPECT_EQ(lmp->atom->q, nullptr); - EXPECT_EQ(lmp->atom->mu, nullptr); - EXPECT_EQ(lmp->atom->omega, nullptr); - EXPECT_NE(lmp->atom->angmom, nullptr); - EXPECT_NE(lmp->atom->torque, nullptr); - EXPECT_NE(lmp->atom->radius, nullptr); - EXPECT_NE(lmp->atom->rmass, nullptr); - EXPECT_EQ(lmp->atom->ellipsoid, nullptr); - EXPECT_EQ(lmp->atom->line, nullptr); - EXPECT_EQ(lmp->atom->tri, nullptr); - EXPECT_NE(lmp->atom->body, nullptr); - EXPECT_EQ(lmp->atom->molecule, nullptr); - EXPECT_EQ(lmp->atom->molindex, nullptr); - EXPECT_EQ(lmp->atom->molatom, nullptr); - EXPECT_EQ(lmp->atom->num_bond, nullptr); - EXPECT_EQ(lmp->atom->bond_type, nullptr); - EXPECT_EQ(lmp->atom->bond_atom, nullptr); - EXPECT_EQ(lmp->atom->num_angle, nullptr); - EXPECT_EQ(lmp->atom->angle_type, nullptr); - EXPECT_EQ(lmp->atom->angle_atom1, nullptr); - EXPECT_EQ(lmp->atom->angle_atom2, nullptr); - EXPECT_EQ(lmp->atom->angle_atom3, nullptr); - EXPECT_EQ(lmp->atom->num_dihedral, nullptr); - EXPECT_EQ(lmp->atom->dihedral_type, nullptr); - EXPECT_EQ(lmp->atom->dihedral_atom1, nullptr); - EXPECT_EQ(lmp->atom->dihedral_atom2, nullptr); - EXPECT_EQ(lmp->atom->dihedral_atom3, nullptr); - EXPECT_EQ(lmp->atom->dihedral_atom4, nullptr); - EXPECT_EQ(lmp->atom->num_improper, nullptr); - EXPECT_EQ(lmp->atom->improper_type, nullptr); - EXPECT_EQ(lmp->atom->improper_atom1, nullptr); - EXPECT_EQ(lmp->atom->improper_atom2, nullptr); - EXPECT_EQ(lmp->atom->improper_atom3, nullptr); - EXPECT_EQ(lmp->atom->improper_atom4, nullptr); - EXPECT_EQ(lmp->atom->maxspecial, 1); - EXPECT_EQ(lmp->atom->nspecial, nullptr); - EXPECT_EQ(lmp->atom->special, nullptr); - EXPECT_EQ(lmp->atom->vfrac, nullptr); - EXPECT_EQ(lmp->atom->s0, nullptr); - EXPECT_EQ(lmp->atom->x0, nullptr); - EXPECT_EQ(lmp->atom->sp, nullptr); - EXPECT_EQ(lmp->atom->fm, nullptr); - EXPECT_EQ(lmp->atom->fm_long, nullptr); - EXPECT_EQ(lmp->atom->spin, nullptr); - EXPECT_EQ(lmp->atom->eradius, nullptr); - EXPECT_EQ(lmp->atom->ervel, nullptr); - EXPECT_EQ(lmp->atom->erforce, nullptr); - EXPECT_EQ(lmp->atom->ervelforce, nullptr); - EXPECT_EQ(lmp->atom->cs, nullptr); - EXPECT_EQ(lmp->atom->csforce, nullptr); - EXPECT_EQ(lmp->atom->vforce, nullptr); - EXPECT_EQ(lmp->atom->etag, nullptr); - EXPECT_EQ(lmp->atom->uCond, nullptr); - EXPECT_EQ(lmp->atom->uMech, nullptr); - EXPECT_EQ(lmp->atom->uChem, nullptr); - EXPECT_EQ(lmp->atom->uCG, nullptr); - EXPECT_EQ(lmp->atom->uCGnew, nullptr); - EXPECT_EQ(lmp->atom->duChem, nullptr); - EXPECT_EQ(lmp->atom->dpdTheta, nullptr); - EXPECT_EQ(lmp->atom->cc, nullptr); - EXPECT_EQ(lmp->atom->cc_flux, nullptr); - EXPECT_EQ(lmp->atom->edpd_temp, nullptr); - EXPECT_EQ(lmp->atom->edpd_flux, nullptr); - EXPECT_EQ(lmp->atom->edpd_cv, nullptr); - EXPECT_EQ(lmp->atom->length, nullptr); - EXPECT_EQ(lmp->atom->buckling, nullptr); - EXPECT_EQ(lmp->atom->bond_nt, nullptr); - EXPECT_EQ(lmp->atom->contact_radius, nullptr); - EXPECT_EQ(lmp->atom->smd_data_9, nullptr); - EXPECT_EQ(lmp->atom->smd_stress, nullptr); - EXPECT_EQ(lmp->atom->eff_plastic_strain, nullptr); - EXPECT_EQ(lmp->atom->eff_plastic_strain_rate, nullptr); - EXPECT_EQ(lmp->atom->damage, nullptr); - EXPECT_EQ(lmp->atom->rho, nullptr); - EXPECT_EQ(lmp->atom->drho, nullptr); - EXPECT_EQ(lmp->atom->esph, nullptr); - EXPECT_EQ(lmp->atom->desph, nullptr); - EXPECT_EQ(lmp->atom->cv, nullptr); - EXPECT_EQ(lmp->atom->vest, nullptr); - EXPECT_EQ(lmp->atom->nmolecule, 0); - EXPECT_EQ(lmp->atom->molecules, nullptr); - EXPECT_EQ(lmp->atom->nivector, 0); - EXPECT_EQ(lmp->atom->ndvector, 0); - EXPECT_EQ(lmp->atom->iname, nullptr); - EXPECT_EQ(lmp->atom->dname, nullptr); - EXPECT_EQ(lmp->atom->mass, nullptr); - EXPECT_EQ(lmp->atom->mass_setflag, nullptr); - EXPECT_EQ(lmp->atom->nextra_grow, 0); - EXPECT_EQ(lmp->atom->nextra_restart, 0); - EXPECT_EQ(lmp->atom->nextra_border, 0); - EXPECT_EQ(lmp->atom->nextra_grow_max, 0); - EXPECT_EQ(lmp->atom->nextra_restart_max, 0); - EXPECT_EQ(lmp->atom->nextra_border_max, 0); - EXPECT_EQ(lmp->atom->nextra_store, 0); - EXPECT_EQ(lmp->atom->extra_grow, nullptr); - EXPECT_EQ(lmp->atom->extra_restart, nullptr); - EXPECT_EQ(lmp->atom->extra_border, nullptr); - EXPECT_EQ(lmp->atom->extra, nullptr); - EXPECT_EQ(lmp->atom->sametag, nullptr); - EXPECT_EQ(lmp->atom->map_style, 0); - EXPECT_EQ(lmp->atom->map_user, 0); - EXPECT_EQ(lmp->atom->map_tag_max, -1); + ASSERT_NE(lmp->atom->tag, nullptr); + ASSERT_NE(lmp->atom->type, nullptr); + ASSERT_NE(lmp->atom->mask, nullptr); + ASSERT_NE(lmp->atom->image, nullptr); + ASSERT_NE(lmp->atom->x, nullptr); + ASSERT_NE(lmp->atom->v, nullptr); + ASSERT_NE(lmp->atom->f, nullptr); + ASSERT_EQ(lmp->atom->q, nullptr); + ASSERT_EQ(lmp->atom->mu, nullptr); + ASSERT_EQ(lmp->atom->omega, nullptr); + ASSERT_NE(lmp->atom->angmom, nullptr); + ASSERT_NE(lmp->atom->torque, nullptr); + ASSERT_NE(lmp->atom->radius, nullptr); + ASSERT_NE(lmp->atom->rmass, nullptr); + ASSERT_EQ(lmp->atom->ellipsoid, nullptr); + ASSERT_EQ(lmp->atom->line, nullptr); + ASSERT_EQ(lmp->atom->tri, nullptr); + ASSERT_NE(lmp->atom->body, nullptr); + ASSERT_EQ(lmp->atom->molecule, nullptr); + ASSERT_EQ(lmp->atom->molindex, nullptr); + ASSERT_EQ(lmp->atom->molatom, nullptr); + ASSERT_EQ(lmp->atom->num_bond, nullptr); + ASSERT_EQ(lmp->atom->bond_type, nullptr); + ASSERT_EQ(lmp->atom->bond_atom, nullptr); + ASSERT_EQ(lmp->atom->num_angle, nullptr); + ASSERT_EQ(lmp->atom->angle_type, nullptr); + ASSERT_EQ(lmp->atom->angle_atom1, nullptr); + ASSERT_EQ(lmp->atom->angle_atom2, nullptr); + ASSERT_EQ(lmp->atom->angle_atom3, nullptr); + ASSERT_EQ(lmp->atom->num_dihedral, nullptr); + ASSERT_EQ(lmp->atom->dihedral_type, nullptr); + ASSERT_EQ(lmp->atom->dihedral_atom1, nullptr); + ASSERT_EQ(lmp->atom->dihedral_atom2, nullptr); + ASSERT_EQ(lmp->atom->dihedral_atom3, nullptr); + ASSERT_EQ(lmp->atom->dihedral_atom4, nullptr); + ASSERT_EQ(lmp->atom->num_improper, nullptr); + ASSERT_EQ(lmp->atom->improper_type, nullptr); + ASSERT_EQ(lmp->atom->improper_atom1, nullptr); + ASSERT_EQ(lmp->atom->improper_atom2, nullptr); + ASSERT_EQ(lmp->atom->improper_atom3, nullptr); + ASSERT_EQ(lmp->atom->improper_atom4, nullptr); + ASSERT_EQ(lmp->atom->maxspecial, 1); + ASSERT_EQ(lmp->atom->nspecial, nullptr); + ASSERT_EQ(lmp->atom->special, nullptr); + ASSERT_EQ(lmp->atom->vfrac, nullptr); + ASSERT_EQ(lmp->atom->s0, nullptr); + ASSERT_EQ(lmp->atom->x0, nullptr); + ASSERT_EQ(lmp->atom->sp, nullptr); + ASSERT_EQ(lmp->atom->fm, nullptr); + ASSERT_EQ(lmp->atom->fm_long, nullptr); + ASSERT_EQ(lmp->atom->spin, nullptr); + ASSERT_EQ(lmp->atom->eradius, nullptr); + ASSERT_EQ(lmp->atom->ervel, nullptr); + ASSERT_EQ(lmp->atom->erforce, nullptr); + ASSERT_EQ(lmp->atom->ervelforce, nullptr); + ASSERT_EQ(lmp->atom->cs, nullptr); + ASSERT_EQ(lmp->atom->csforce, nullptr); + ASSERT_EQ(lmp->atom->vforce, nullptr); + ASSERT_EQ(lmp->atom->etag, nullptr); + ASSERT_EQ(lmp->atom->uCond, nullptr); + ASSERT_EQ(lmp->atom->uMech, nullptr); + ASSERT_EQ(lmp->atom->uChem, nullptr); + ASSERT_EQ(lmp->atom->uCG, nullptr); + ASSERT_EQ(lmp->atom->uCGnew, nullptr); + ASSERT_EQ(lmp->atom->duChem, nullptr); + ASSERT_EQ(lmp->atom->dpdTheta, nullptr); + ASSERT_EQ(lmp->atom->cc, nullptr); + ASSERT_EQ(lmp->atom->cc_flux, nullptr); + ASSERT_EQ(lmp->atom->edpd_temp, nullptr); + ASSERT_EQ(lmp->atom->edpd_flux, nullptr); + ASSERT_EQ(lmp->atom->edpd_cv, nullptr); + ASSERT_EQ(lmp->atom->length, nullptr); + ASSERT_EQ(lmp->atom->buckling, nullptr); + ASSERT_EQ(lmp->atom->bond_nt, nullptr); + ASSERT_EQ(lmp->atom->contact_radius, nullptr); + ASSERT_EQ(lmp->atom->smd_data_9, nullptr); + ASSERT_EQ(lmp->atom->smd_stress, nullptr); + ASSERT_EQ(lmp->atom->eff_plastic_strain, nullptr); + ASSERT_EQ(lmp->atom->eff_plastic_strain_rate, nullptr); + ASSERT_EQ(lmp->atom->damage, nullptr); + ASSERT_EQ(lmp->atom->rho, nullptr); + ASSERT_EQ(lmp->atom->drho, nullptr); + ASSERT_EQ(lmp->atom->esph, nullptr); + ASSERT_EQ(lmp->atom->desph, nullptr); + ASSERT_EQ(lmp->atom->cv, nullptr); + ASSERT_EQ(lmp->atom->vest, nullptr); + ASSERT_EQ(lmp->atom->nmolecule, 0); + ASSERT_EQ(lmp->atom->molecules, nullptr); + ASSERT_EQ(lmp->atom->nivector, 0); + ASSERT_EQ(lmp->atom->ndvector, 0); + ASSERT_EQ(lmp->atom->iname, nullptr); + ASSERT_EQ(lmp->atom->dname, nullptr); + ASSERT_EQ(lmp->atom->mass, nullptr); + ASSERT_EQ(lmp->atom->mass_setflag, nullptr); + ASSERT_EQ(lmp->atom->nextra_grow, 0); + ASSERT_EQ(lmp->atom->nextra_restart, 0); + ASSERT_EQ(lmp->atom->nextra_border, 0); + ASSERT_EQ(lmp->atom->nextra_grow_max, 0); + ASSERT_EQ(lmp->atom->nextra_restart_max, 0); + ASSERT_EQ(lmp->atom->nextra_border_max, 0); + ASSERT_EQ(lmp->atom->nextra_store, 0); + ASSERT_EQ(lmp->atom->extra_grow, nullptr); + ASSERT_EQ(lmp->atom->extra_restart, nullptr); + ASSERT_EQ(lmp->atom->extra_border, nullptr); + ASSERT_EQ(lmp->atom->extra, nullptr); + ASSERT_EQ(lmp->atom->sametag, nullptr); + ASSERT_EQ(lmp->atom->map_style, 0); + ASSERT_EQ(lmp->atom->map_user, 0); + ASSERT_EQ(lmp->atom->map_tag_max, -1); const char data_file[] = "\n4 atoms\n" "4 bodies\n" @@ -2932,35 +2932,35 @@ TEST_F(AtomStyleTest, body_nparticle) lmp->input->one("set atom 4 quat 1.0 1.0 1.0 60.0"); lmp->input->one("pair_coeff * *"); if (!verbose) ::testing::internal::GetCapturedStdout(); - EXPECT_THAT(std::string(lmp->atom->atom_style), Eq("body")); - EXPECT_NE(lmp->atom->avec, nullptr); - EXPECT_EQ(lmp->atom->natoms, 6); - EXPECT_EQ(lmp->atom->nbodies, 4); - EXPECT_EQ(lmp->atom->nlocal, 6); - EXPECT_EQ(lmp->atom->nghost, 0); - EXPECT_NE(lmp->atom->nmax, -1); - EXPECT_EQ(lmp->atom->tag_enable, 1); - EXPECT_EQ(lmp->atom->molecular, 0); - EXPECT_EQ(lmp->atom->ntypes, 3); - EXPECT_EQ(lmp->atom->nextra_grow, 0); - EXPECT_EQ(lmp->atom->nextra_restart, 0); - EXPECT_EQ(lmp->atom->nextra_border, 0); - EXPECT_EQ(lmp->atom->nextra_grow_max, 0); - EXPECT_EQ(lmp->atom->nextra_restart_max, 0); - EXPECT_EQ(lmp->atom->nextra_border_max, 0); - EXPECT_EQ(lmp->atom->nextra_store, 0); - EXPECT_EQ(lmp->atom->extra_grow, nullptr); - EXPECT_EQ(lmp->atom->extra_restart, nullptr); - EXPECT_EQ(lmp->atom->extra_border, nullptr); - EXPECT_EQ(lmp->atom->extra, nullptr); + ASSERT_THAT(std::string(lmp->atom->atom_style), Eq("body")); + ASSERT_NE(lmp->atom->avec, nullptr); + ASSERT_EQ(lmp->atom->natoms, 6); + ASSERT_EQ(lmp->atom->nbodies, 4); + ASSERT_EQ(lmp->atom->nlocal, 6); + ASSERT_EQ(lmp->atom->nghost, 0); + ASSERT_NE(lmp->atom->nmax, -1); + ASSERT_EQ(lmp->atom->tag_enable, 1); + ASSERT_EQ(lmp->atom->molecular, 0); + ASSERT_EQ(lmp->atom->ntypes, 3); + ASSERT_EQ(lmp->atom->nextra_grow, 0); + ASSERT_EQ(lmp->atom->nextra_restart, 0); + ASSERT_EQ(lmp->atom->nextra_border, 0); + ASSERT_EQ(lmp->atom->nextra_grow_max, 0); + ASSERT_EQ(lmp->atom->nextra_restart_max, 0); + ASSERT_EQ(lmp->atom->nextra_border_max, 0); + ASSERT_EQ(lmp->atom->nextra_store, 0); + ASSERT_EQ(lmp->atom->extra_grow, nullptr); + ASSERT_EQ(lmp->atom->extra_restart, nullptr); + ASSERT_EQ(lmp->atom->extra_border, nullptr); + ASSERT_EQ(lmp->atom->extra, nullptr); - EXPECT_EQ(lmp->atom->mass, nullptr); - EXPECT_NE(lmp->atom->rmass, nullptr); - EXPECT_NE(lmp->atom->body, nullptr); - EXPECT_NE(lmp->atom->angmom, nullptr); - EXPECT_NE(lmp->atom->torque, nullptr); - EXPECT_NE(lmp->atom->radius, nullptr); - EXPECT_EQ(lmp->atom->mass_setflag, nullptr); + ASSERT_EQ(lmp->atom->mass, nullptr); + ASSERT_NE(lmp->atom->rmass, nullptr); + ASSERT_NE(lmp->atom->body, nullptr); + ASSERT_NE(lmp->atom->angmom, nullptr); + ASSERT_NE(lmp->atom->torque, nullptr); + ASSERT_NE(lmp->atom->radius, nullptr); + ASSERT_EQ(lmp->atom->mass_setflag, nullptr); auto x = lmp->atom->x; auto v = lmp->atom->v; @@ -2968,92 +2968,94 @@ TEST_F(AtomStyleTest, body_nparticle) auto body = lmp->atom->body; auto rmass = lmp->atom->rmass; auto radius = lmp->atom->radius; + auto angmom = lmp->atom->angmom; auto bonus = avec->bonus; - EXPECT_DOUBLE_EQ(x[GETIDX(1)][0], -2.0); - EXPECT_DOUBLE_EQ(x[GETIDX(1)][1], 2.0); - EXPECT_DOUBLE_EQ(x[GETIDX(1)][2], 0.1); - EXPECT_DOUBLE_EQ(x[GETIDX(2)][0], -2.0); - EXPECT_DOUBLE_EQ(x[GETIDX(2)][1], -2.0); - EXPECT_DOUBLE_EQ(x[GETIDX(2)][2], -0.1); - EXPECT_DOUBLE_EQ(x[GETIDX(3)][0], 2.0); - EXPECT_DOUBLE_EQ(x[GETIDX(3)][1], 2.0); - EXPECT_DOUBLE_EQ(x[GETIDX(3)][2], -0.1); - EXPECT_DOUBLE_EQ(x[GETIDX(4)][0], 2.0); - EXPECT_DOUBLE_EQ(x[GETIDX(4)][1], -2.0); - EXPECT_DOUBLE_EQ(x[GETIDX(4)][2], 0.1); - EXPECT_DOUBLE_EQ(x[GETIDX(5)][0], 2.0); - EXPECT_DOUBLE_EQ(x[GETIDX(5)][1], 2.0); - EXPECT_DOUBLE_EQ(x[GETIDX(5)][2], -2.1); - EXPECT_DOUBLE_EQ(x[GETIDX(6)][0], 2.0); - EXPECT_DOUBLE_EQ(x[GETIDX(6)][1], -2.0); - EXPECT_DOUBLE_EQ(x[GETIDX(6)][2], 2.1); - EXPECT_DOUBLE_EQ(v[GETIDX(1)][0], 0.0); - EXPECT_DOUBLE_EQ(v[GETIDX(1)][1], 0.0); - EXPECT_DOUBLE_EQ(v[GETIDX(1)][2], 0.0); - EXPECT_DOUBLE_EQ(v[GETIDX(2)][0], 0.0); - EXPECT_DOUBLE_EQ(v[GETIDX(2)][1], 0.0); - EXPECT_DOUBLE_EQ(v[GETIDX(2)][2], 0.0); - EXPECT_DOUBLE_EQ(v[GETIDX(3)][0], 0.0); - EXPECT_DOUBLE_EQ(v[GETIDX(3)][1], 0.0); - EXPECT_DOUBLE_EQ(v[GETIDX(3)][2], 0.0); - EXPECT_DOUBLE_EQ(v[GETIDX(4)][0], 0.0); - EXPECT_DOUBLE_EQ(v[GETIDX(4)][1], 0.0); - EXPECT_DOUBLE_EQ(v[GETIDX(4)][2], 0.0); - EXPECT_DOUBLE_EQ(v[GETIDX(5)][0], 0.0); - EXPECT_DOUBLE_EQ(v[GETIDX(5)][1], 0.0); - EXPECT_DOUBLE_EQ(v[GETIDX(5)][2], 0.0); - EXPECT_DOUBLE_EQ(v[GETIDX(6)][0], 0.0); - EXPECT_DOUBLE_EQ(v[GETIDX(6)][1], 0.0); - EXPECT_DOUBLE_EQ(v[GETIDX(6)][2], 0.0); - EXPECT_EQ(type[GETIDX(1)], 1); - EXPECT_EQ(type[GETIDX(2)], 1); - EXPECT_EQ(type[GETIDX(3)], 2); - EXPECT_EQ(type[GETIDX(4)], 2); - EXPECT_EQ(type[GETIDX(5)], 3); - EXPECT_EQ(type[GETIDX(6)], 3); - EXPECT_EQ(body[GETIDX(1)], 0); - EXPECT_EQ(body[GETIDX(2)], 1); - EXPECT_EQ(body[GETIDX(3)], 2); - EXPECT_EQ(body[GETIDX(4)], 3); - EXPECT_EQ(body[GETIDX(5)], -1); - EXPECT_EQ(body[GETIDX(6)], -1); - EXPECT_DOUBLE_EQ(rmass[GETIDX(1)], 4); - EXPECT_DOUBLE_EQ(rmass[GETIDX(2)], 4); - EXPECT_DOUBLE_EQ(rmass[GETIDX(3)], 2.4); - EXPECT_DOUBLE_EQ(rmass[GETIDX(4)], 2.4); - EXPECT_DOUBLE_EQ(rmass[GETIDX(5)], 4.4); - EXPECT_DOUBLE_EQ(rmass[GETIDX(6)], 4.4); - EXPECT_DOUBLE_EQ(radius[GETIDX(1)], 0.5); - EXPECT_DOUBLE_EQ(radius[GETIDX(2)], 0.5); - EXPECT_DOUBLE_EQ(radius[GETIDX(3)], 0.5); - EXPECT_DOUBLE_EQ(radius[GETIDX(4)], 0.5); - EXPECT_DOUBLE_EQ(radius[GETIDX(5)], 0.5); - EXPECT_DOUBLE_EQ(radius[GETIDX(6)], 0.5); + ASSERT_DOUBLE_EQ(x[GETIDX(1)][0], -2.0); + ASSERT_DOUBLE_EQ(x[GETIDX(1)][1], 2.0); + ASSERT_DOUBLE_EQ(x[GETIDX(1)][2], 0.1); + ASSERT_DOUBLE_EQ(x[GETIDX(2)][0], -2.0); + ASSERT_DOUBLE_EQ(x[GETIDX(2)][1], -2.0); + ASSERT_DOUBLE_EQ(x[GETIDX(2)][2], -0.1); + ASSERT_DOUBLE_EQ(x[GETIDX(3)][0], 2.0); + ASSERT_DOUBLE_EQ(x[GETIDX(3)][1], 2.0); + ASSERT_DOUBLE_EQ(x[GETIDX(3)][2], -0.1); + ASSERT_DOUBLE_EQ(x[GETIDX(4)][0], 2.0); + ASSERT_DOUBLE_EQ(x[GETIDX(4)][1], -2.0); + ASSERT_DOUBLE_EQ(x[GETIDX(4)][2], 0.1); + ASSERT_DOUBLE_EQ(x[GETIDX(5)][0], 2.0); + ASSERT_DOUBLE_EQ(x[GETIDX(5)][1], 2.0); + ASSERT_DOUBLE_EQ(x[GETIDX(5)][2], -2.1); + ASSERT_DOUBLE_EQ(x[GETIDX(6)][0], 2.0); + ASSERT_DOUBLE_EQ(x[GETIDX(6)][1], -2.0); + ASSERT_DOUBLE_EQ(x[GETIDX(6)][2], 2.1); + ASSERT_DOUBLE_EQ(v[GETIDX(1)][0], 0.0); + ASSERT_DOUBLE_EQ(v[GETIDX(1)][1], 0.0); + ASSERT_DOUBLE_EQ(v[GETIDX(1)][2], 0.0); + ASSERT_DOUBLE_EQ(v[GETIDX(2)][0], 0.0); + ASSERT_DOUBLE_EQ(v[GETIDX(2)][1], 0.0); + ASSERT_DOUBLE_EQ(v[GETIDX(2)][2], 0.0); + ASSERT_DOUBLE_EQ(v[GETIDX(3)][0], 0.0); + ASSERT_DOUBLE_EQ(v[GETIDX(3)][1], 0.0); + ASSERT_DOUBLE_EQ(v[GETIDX(3)][2], 0.0); + ASSERT_DOUBLE_EQ(v[GETIDX(4)][0], 0.0); + ASSERT_DOUBLE_EQ(v[GETIDX(4)][1], 0.0); + ASSERT_DOUBLE_EQ(v[GETIDX(4)][2], 0.0); + ASSERT_DOUBLE_EQ(v[GETIDX(5)][0], 0.0); + ASSERT_DOUBLE_EQ(v[GETIDX(5)][1], 0.0); + ASSERT_DOUBLE_EQ(v[GETIDX(5)][2], 0.0); + ASSERT_DOUBLE_EQ(v[GETIDX(6)][0], 0.0); + ASSERT_DOUBLE_EQ(v[GETIDX(6)][1], 0.0); + ASSERT_DOUBLE_EQ(v[GETIDX(6)][2], 0.0); + ASSERT_EQ(type[GETIDX(1)], 1); + ASSERT_EQ(type[GETIDX(2)], 1); + ASSERT_EQ(type[GETIDX(3)], 2); + ASSERT_EQ(type[GETIDX(4)], 2); + ASSERT_EQ(type[GETIDX(5)], 3); + ASSERT_EQ(type[GETIDX(6)], 3); + ASSERT_DOUBLE_EQ(angmom[GETIDX(1)][0], 0.0); + ASSERT_DOUBLE_EQ(angmom[GETIDX(1)][1], 0.0); + ASSERT_DOUBLE_EQ(angmom[GETIDX(1)][2], 0.0); + ASSERT_DOUBLE_EQ(angmom[GETIDX(2)][0], 0.0); + ASSERT_DOUBLE_EQ(angmom[GETIDX(2)][1], 0.0); + ASSERT_DOUBLE_EQ(angmom[GETIDX(2)][2], 0.0); + ASSERT_DOUBLE_EQ(angmom[GETIDX(3)][0], 0.0); + ASSERT_DOUBLE_EQ(angmom[GETIDX(3)][1], 0.0); + ASSERT_DOUBLE_EQ(angmom[GETIDX(3)][2], 0.0); + ASSERT_DOUBLE_EQ(angmom[GETIDX(4)][0], 0.0); + ASSERT_DOUBLE_EQ(angmom[GETIDX(4)][1], 0.0); + ASSERT_DOUBLE_EQ(angmom[GETIDX(4)][2], 0.0); - EXPECT_DOUBLE_EQ(bonus[0].inertia[0], 2.0); - EXPECT_DOUBLE_EQ(bonus[0].inertia[1], 2.0); - EXPECT_DOUBLE_EQ(bonus[0].inertia[2], 0.0); - EXPECT_DOUBLE_EQ(bonus[0].inertia[3], 0.0); - EXPECT_DOUBLE_EQ(bonus[0].inertia[4], 0.0); - EXPECT_DOUBLE_EQ(bonus[0].inertia[5], 0.0); - EXPECT_DOUBLE_EQ(bonus[1].inertia[0], 0.5); - EXPECT_DOUBLE_EQ(bonus[1].inertia[1], 4.0); - EXPECT_DOUBLE_EQ(bonus[1].inertia[2], 4.5); - EXPECT_DOUBLE_EQ(bonus[1].inertia[3], 0.0); - EXPECT_DOUBLE_EQ(bonus[1].inertia[4], 0.0); - EXPECT_DOUBLE_EQ(bonus[1].inertia[5], 0.0); - EXPECT_DOUBLE_EQ(bonus[2].inertia[0], 1.67188); - EXPECT_DOUBLE_EQ(bonus[2].inertia[1], 1.7746273249544022); - EXPECT_DOUBLE_EQ(bonus[2].inertia[2], 0.49099767504559777); - EXPECT_DOUBLE_EQ(bonus[2].inertia[3], 0.0); - EXPECT_DOUBLE_EQ(bonus[2].inertia[4], 0.0); - EXPECT_DOUBLE_EQ(bonus[2].inertia[5], 0.0); - EXPECT_DOUBLE_EQ(bonus[3].inertia[0], 12.0); - EXPECT_DOUBLE_EQ(bonus[3].inertia[1], 0.0); - EXPECT_DOUBLE_EQ(bonus[3].inertia[2], 12.0); - EXPECT_DOUBLE_EQ(bonus[3].inertia[3], 0.0); - EXPECT_DOUBLE_EQ(bonus[3].inertia[4], 0.0); - EXPECT_DOUBLE_EQ(bonus[3].inertia[5], 0.0); + ASSERT_EQ(body[GETIDX(1)], 0); + ASSERT_EQ(body[GETIDX(2)], 1); + ASSERT_EQ(body[GETIDX(3)], 2); + ASSERT_EQ(body[GETIDX(4)], 3); + ASSERT_EQ(body[GETIDX(5)], -1); + ASSERT_EQ(body[GETIDX(6)], -1); + ASSERT_DOUBLE_EQ(rmass[GETIDX(1)], 4); + ASSERT_DOUBLE_EQ(rmass[GETIDX(2)], 4); + ASSERT_DOUBLE_EQ(rmass[GETIDX(3)], 2.4); + ASSERT_DOUBLE_EQ(rmass[GETIDX(4)], 2.4); + ASSERT_DOUBLE_EQ(rmass[GETIDX(5)], 4.4); + ASSERT_DOUBLE_EQ(rmass[GETIDX(6)], 4.4); + ASSERT_DOUBLE_EQ(radius[GETIDX(1)], 0.5); + ASSERT_DOUBLE_EQ(radius[GETIDX(2)], 0.5); + ASSERT_DOUBLE_EQ(radius[GETIDX(3)], 0.5); + ASSERT_DOUBLE_EQ(radius[GETIDX(4)], 0.5); + ASSERT_DOUBLE_EQ(radius[GETIDX(5)], 0.5); + ASSERT_DOUBLE_EQ(radius[GETIDX(6)], 0.5); + + ASSERT_DOUBLE_EQ(bonus[0].inertia[0], 2.0); + ASSERT_DOUBLE_EQ(bonus[0].inertia[1], 2.0); + ASSERT_DOUBLE_EQ(bonus[0].inertia[2], 0.0); + ASSERT_DOUBLE_EQ(bonus[1].inertia[0], 0.5); + ASSERT_DOUBLE_EQ(bonus[1].inertia[1], 4.0); + ASSERT_DOUBLE_EQ(bonus[1].inertia[2], 4.5); + ASSERT_DOUBLE_EQ(bonus[2].inertia[0], 1.67188); + ASSERT_DOUBLE_EQ(bonus[2].inertia[1], 1.7746273249544022); + ASSERT_DOUBLE_EQ(bonus[2].inertia[2], 0.49099767504559777); + ASSERT_DOUBLE_EQ(bonus[3].inertia[0], 12.0); + ASSERT_DOUBLE_EQ(bonus[3].inertia[1], 0.0); + ASSERT_DOUBLE_EQ(bonus[3].inertia[2], 12.0); ASSERT_DOUBLE_EQ(bonus[0].quat[0], 1.0); ASSERT_DOUBLE_EQ(bonus[0].quat[1], 0.0); ASSERT_DOUBLE_EQ(bonus[0].quat[2], 0.0); @@ -3070,18 +3072,26 @@ TEST_F(AtomStyleTest, body_nparticle) ASSERT_DOUBLE_EQ(bonus[3].quat[1], sqrt(5.0 / 30.0)); ASSERT_DOUBLE_EQ(bonus[3].quat[2], sqrt(5.0 / 30.0)); ASSERT_DOUBLE_EQ(bonus[3].quat[3], sqrt(5.0 / 30.0)); - EXPECT_DOUBLE_EQ(bonus[0].ilocal, 0); - EXPECT_DOUBLE_EQ(bonus[1].ilocal, 1); - EXPECT_DOUBLE_EQ(bonus[2].ilocal, 2); - EXPECT_DOUBLE_EQ(bonus[3].ilocal, 3); - EXPECT_DOUBLE_EQ(bonus[0].ninteger, 0); - EXPECT_DOUBLE_EQ(bonus[1].ninteger, 0); - EXPECT_DOUBLE_EQ(bonus[2].ninteger, 0); - EXPECT_DOUBLE_EQ(bonus[3].ninteger, 0); - EXPECT_DOUBLE_EQ(bonus[0].ndouble, 0); - EXPECT_DOUBLE_EQ(bonus[1].ndouble, 0); - EXPECT_DOUBLE_EQ(bonus[2].ndouble, 0); - EXPECT_DOUBLE_EQ(bonus[3].ndouble, 0); + ASSERT_EQ(bonus[0].ilocal, 0); + ASSERT_EQ(bonus[1].ilocal, 1); + ASSERT_EQ(bonus[2].ilocal, 2); + ASSERT_EQ(bonus[3].ilocal, 3); + ASSERT_EQ(bonus[0].ninteger, 1); + ASSERT_EQ(bonus[1].ninteger, 1); + ASSERT_EQ(bonus[2].ninteger, 1); + ASSERT_EQ(bonus[3].ninteger, 1); + ASSERT_EQ(bonus[0].ndouble, 6); + ASSERT_EQ(bonus[1].ndouble, 9); + ASSERT_EQ(bonus[2].ndouble, 12); + ASSERT_EQ(bonus[3].ndouble, 6); + ASSERT_NE(bonus[0].ivalue, nullptr); + ASSERT_NE(bonus[1].ivalue, nullptr); + ASSERT_NE(bonus[2].ivalue, nullptr); + ASSERT_NE(bonus[3].ivalue, nullptr); + ASSERT_NE(bonus[0].dvalue, nullptr); + ASSERT_NE(bonus[1].dvalue, nullptr); + ASSERT_NE(bonus[2].dvalue, nullptr); + ASSERT_NE(bonus[3].dvalue, nullptr); if (!verbose) ::testing::internal::CaptureStdout(); lmp->input->one("write_data test_atom_styles.data nocoeff");