From cc9df9a76d83a9b4621201e9dbf8338cd8c44240 Mon Sep 17 00:00:00 2001 From: Axel Kohlmeyer Date: Thu, 9 Jul 2020 11:55:52 -0400 Subject: [PATCH] add test module for atom style line --- unittest/formats/test_atom_styles.cpp | 438 ++++++++++++++++++++++++++ 1 file changed, 438 insertions(+) diff --git a/unittest/formats/test_atom_styles.cpp b/unittest/formats/test_atom_styles.cpp index 378bed5585..f925791dc8 100644 --- a/unittest/formats/test_atom_styles.cpp +++ b/unittest/formats/test_atom_styles.cpp @@ -18,6 +18,7 @@ #include "atom_vec_tri.h" #include "input.h" #include "lammps.h" +#include "math_const.h" #include "utils.h" #include "gmock/gmock.h" #include "gtest/gtest.h" @@ -1664,6 +1665,443 @@ TEST_F(AtomStyleTest, ellipsoid) ASSERT_DOUBLE_EQ(bonus[3].quat[3], 0.25056280708573159); } +TEST_F(AtomStyleTest, line) +{ + if (!LAMMPS::is_installed_pkg("ASPHERE")) GTEST_SKIP(); + + if (!verbose) ::testing::internal::CaptureStdout(); + lmp->input->one("dimension 2"); + lmp->input->one("atom_style line"); + if (!verbose) ::testing::internal::GetCapturedStdout(); + ASSERT_THAT(std::string(lmp->atom->atom_style), Eq("line")); + ASSERT_NE(lmp->atom->avec, nullptr); + 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); + + ASSERT_EQ(lmp->atom->sphere_flag, 1); + ASSERT_EQ(lmp->atom->ellipsoid_flag, 0); + ASSERT_EQ(lmp->atom->line_flag, 1); + ASSERT_EQ(lmp->atom->tri_flag, 0); + ASSERT_EQ(lmp->atom->body_flag, 0); + 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, 1); + 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, 1); + ASSERT_EQ(lmp->atom->torque_flag, 1); + ASSERT_EQ(lmp->atom->angmom_flag, 0); + 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); + + 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_NE(lmp->atom->omega, nullptr); + ASSERT_EQ(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_NE(lmp->atom->line, nullptr); + ASSERT_EQ(lmp->atom->tri, nullptr); + ASSERT_EQ(lmp->atom->body, nullptr); + ASSERT_NE(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); + + if (!verbose) ::testing::internal::CaptureStdout(); + lmp->input->one("create_box 3 box"); + lmp->input->one("create_atoms 1 single -2.0 2.0 0.0"); + lmp->input->one("create_atoms 1 single -2.0 -2.0 0.0"); + lmp->input->one("create_atoms 2 single 2.0 2.0 0.0"); + lmp->input->one("create_atoms 2 single 2.0 -2.0 0.0"); + lmp->input->one("create_atoms 3 single 3.0 0.0 0.0"); + lmp->input->one("create_atoms 3 single 0.0 -3.0 0.0"); + lmp->input->one("set type 1 mass 4.0"); + lmp->input->one("set type 2 mass 2.4"); + lmp->input->one("set type 3 mass 4.4"); + lmp->input->one("set type 1 length 2.0"); + lmp->input->one("set type 2 length 3.0"); + lmp->input->one("set atom 1 theta 0.0"); + lmp->input->one("set atom 2 theta 90.0"); + lmp->input->one("set atom 3 theta 30.0"); + lmp->input->one("set atom 4 theta 60.0"); + lmp->input->one("pair_coeff * *"); + if (!verbose) ::testing::internal::GetCapturedStdout(); + ASSERT_THAT(std::string(lmp->atom->atom_style), Eq("line")); + ASSERT_NE(lmp->atom->avec, nullptr); + ASSERT_EQ(lmp->atom->natoms, 6); + ASSERT_EQ(lmp->atom->nlines, 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->mass, nullptr); + ASSERT_NE(lmp->atom->rmass, nullptr); + ASSERT_EQ(lmp->atom->mass_setflag, nullptr); + + if (!verbose) ::testing::internal::CaptureStdout(); + lmp->input->one("pair_coeff * *"); + lmp->input->one("write_data test_atom_styles.data nocoeff"); + lmp->input->one("write_data tmp.data nocoeff"); + lmp->input->one("clear"); + lmp->input->one("dimension 2"); + lmp->input->one("atom_style line"); + lmp->input->one("pair_style zero 4.0"); + lmp->input->one("units real"); + lmp->input->one("atom_modify map array"); + lmp->input->one("read_data test_atom_styles.data"); + if (!verbose) ::testing::internal::GetCapturedStdout(); + ASSERT_THAT(std::string(lmp->atom->atom_style), Eq("line")); + ASSERT_NE(lmp->atom->avec, nullptr); + ASSERT_EQ(lmp->atom->natoms, 6); + ASSERT_EQ(lmp->atom->nlocal, 6); + ASSERT_EQ(lmp->atom->nlines, 4); + 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->line_flag, 1); + ASSERT_NE(lmp->atom->line, nullptr); + ASSERT_NE(lmp->atom->sametag, nullptr); + ASSERT_EQ(lmp->atom->tag_consecutive(), 1); + ASSERT_EQ(lmp->atom->map_style, 1); + ASSERT_EQ(lmp->atom->map_user, 1); + ASSERT_EQ(lmp->atom->map_tag_max, 6); + + auto x = lmp->atom->x; + auto v = lmp->atom->v; + auto type = lmp->atom->type; + auto line = lmp->atom->line; + auto rmass = lmp->atom->rmass; + auto avec = (AtomVecLine *)lmp->atom->avec; + auto bonus = avec->bonus; + 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], 0.0); + 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], 0.0); + 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], 0.0); + 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], 0.0); + ASSERT_DOUBLE_EQ(x[GETIDX(5)][0], 3.0); + ASSERT_DOUBLE_EQ(x[GETIDX(5)][1], 0.0); + ASSERT_DOUBLE_EQ(x[GETIDX(5)][2], 0.0); + ASSERT_DOUBLE_EQ(x[GETIDX(6)][0], 0.0); + ASSERT_DOUBLE_EQ(x[GETIDX(6)][1], -3.0); + ASSERT_DOUBLE_EQ(x[GETIDX(6)][2], 0.0); + 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_EQ(line[GETIDX(1)], 0); + ASSERT_EQ(line[GETIDX(2)], 1); + ASSERT_EQ(line[GETIDX(3)], 2); + ASSERT_EQ(line[GETIDX(4)], 3); + ASSERT_EQ(line[GETIDX(5)], -1); + ASSERT_EQ(line[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(bonus[0].length, 2.0); + ASSERT_DOUBLE_EQ(bonus[0].theta, 0.0); + ASSERT_DOUBLE_EQ(bonus[1].length, 2.0); + ASSERT_DOUBLE_EQ(bonus[1].theta, MathConst::MY_PI*0.5); + ASSERT_DOUBLE_EQ(bonus[2].length, 3.0); + ASSERT_DOUBLE_EQ(bonus[2].theta, MathConst::MY_PI/6.0); + ASSERT_DOUBLE_EQ(bonus[3].length, 3.0); + ASSERT_DOUBLE_EQ(bonus[3].theta, MathConst::MY_PI/3.0); + + if (!verbose) ::testing::internal::CaptureStdout(); + lmp->input->one("pair_coeff * *"); + lmp->input->one("group two id 2:4:2"); + lmp->input->one("delete_atoms group two compress no"); + lmp->input->one("write_restart test_atom_styles.restart"); + lmp->input->one("clear"); + lmp->input->one("read_restart test_atom_styles.restart"); + lmp->input->one("replicate 1 2 1"); + if (!verbose) ::testing::internal::GetCapturedStdout(); + ASSERT_THAT(std::string(lmp->atom->atom_style), Eq("line")); + ASSERT_NE(lmp->atom->avec, nullptr); + ASSERT_EQ(lmp->atom->natoms, 8); + ASSERT_EQ(lmp->atom->nlocal, 8); + ASSERT_EQ(lmp->atom->nghost, 0); + ASSERT_EQ(lmp->atom->nlines, 4); + 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->tag_consecutive(), 0); + ASSERT_EQ(lmp->atom->map_tag_max, 12); + + type = lmp->atom->type; + line = lmp->atom->line; + rmass = lmp->atom->rmass; + avec = (AtomVecLine *)lmp->atom->avec; + bonus = avec->bonus; + ASSERT_EQ(type[GETIDX(1)], 1); + ASSERT_EQ(type[GETIDX(3)], 2); + ASSERT_EQ(type[GETIDX(5)], 3); + ASSERT_EQ(type[GETIDX(6)], 3); + ASSERT_EQ(type[GETIDX(7)], 1); + ASSERT_EQ(type[GETIDX(9)], 2); + ASSERT_EQ(type[GETIDX(11)], 3); + ASSERT_EQ(type[GETIDX(12)], 3); + ASSERT_EQ(line[GETIDX(1)], 0); + ASSERT_EQ(line[GETIDX(3)], 1); + ASSERT_EQ(line[GETIDX(5)], -1); + ASSERT_EQ(line[GETIDX(6)], -1); + ASSERT_EQ(line[GETIDX(7)], 2); + ASSERT_EQ(line[GETIDX(9)], 3); + ASSERT_EQ(line[GETIDX(11)], -1); + ASSERT_EQ(line[GETIDX(12)], -1); + ASSERT_DOUBLE_EQ(rmass[GETIDX(1)], 4); + ASSERT_DOUBLE_EQ(rmass[GETIDX(3)], 2.4); + ASSERT_DOUBLE_EQ(rmass[GETIDX(5)], 4.4); + ASSERT_DOUBLE_EQ(rmass[GETIDX(6)], 4.4); + ASSERT_DOUBLE_EQ(rmass[GETIDX(7)], 4); + ASSERT_DOUBLE_EQ(rmass[GETIDX(9)], 2.4); + ASSERT_DOUBLE_EQ(rmass[GETIDX(11)], 4.4); + ASSERT_DOUBLE_EQ(rmass[GETIDX(12)], 4.4); + + ASSERT_DOUBLE_EQ(bonus[0].length, 2.0); + ASSERT_DOUBLE_EQ(bonus[0].theta, 0.0); + ASSERT_DOUBLE_EQ(bonus[1].length, 3.0); + ASSERT_DOUBLE_EQ(bonus[1].theta, MathConst::MY_PI/6.0); + ASSERT_DOUBLE_EQ(bonus[2].length, 2.0); + ASSERT_DOUBLE_EQ(bonus[2].theta, 0.0); + ASSERT_DOUBLE_EQ(bonus[3].length, 3.0); + ASSERT_DOUBLE_EQ(bonus[3].theta, MathConst::MY_PI/6.0); + + if (!verbose) ::testing::internal::CaptureStdout(); + lmp->input->one("reset_ids"); + if (!verbose) ::testing::internal::GetCapturedStdout(); + ASSERT_EQ(lmp->atom->nlines, 4); + ASSERT_EQ(lmp->atom->tag_consecutive(), 1); + ASSERT_EQ(lmp->atom->map_tag_max, 8); + + line = lmp->atom->line; + rmass = lmp->atom->rmass; + avec = (AtomVecLine *)lmp->atom->avec; + bonus = avec->bonus; + ASSERT_EQ(type[GETIDX(1)], 1); + ASSERT_EQ(type[GETIDX(2)], 3); + ASSERT_EQ(type[GETIDX(3)], 2); + ASSERT_EQ(type[GETIDX(4)], 3); + ASSERT_EQ(type[GETIDX(5)], 1); + ASSERT_EQ(type[GETIDX(6)], 3); + ASSERT_EQ(type[GETIDX(7)], 2); + ASSERT_EQ(type[GETIDX(8)], 3); + ASSERT_EQ(line[GETIDX(1)], 0); + ASSERT_EQ(line[GETIDX(2)], -1); + ASSERT_EQ(line[GETIDX(3)], 1); + ASSERT_EQ(line[GETIDX(4)], -1); + ASSERT_EQ(line[GETIDX(5)], 2); + ASSERT_EQ(line[GETIDX(6)], -1); + ASSERT_EQ(line[GETIDX(7)], 3); + ASSERT_EQ(line[GETIDX(8)], -1); + ASSERT_DOUBLE_EQ(rmass[GETIDX(1)], 4); + ASSERT_DOUBLE_EQ(rmass[GETIDX(2)], 4.4); + ASSERT_DOUBLE_EQ(rmass[GETIDX(3)], 2.4); + ASSERT_DOUBLE_EQ(rmass[GETIDX(4)], 4.4); + ASSERT_DOUBLE_EQ(rmass[GETIDX(5)], 4); + ASSERT_DOUBLE_EQ(rmass[GETIDX(6)], 4.4); + ASSERT_DOUBLE_EQ(rmass[GETIDX(7)], 2.4); + ASSERT_DOUBLE_EQ(rmass[GETIDX(8)], 4.4); + + ASSERT_DOUBLE_EQ(bonus[0].length, 2.0); + ASSERT_DOUBLE_EQ(bonus[0].theta, 0.0); + ASSERT_DOUBLE_EQ(bonus[1].length, 3.0); + ASSERT_DOUBLE_EQ(bonus[1].theta, MathConst::MY_PI/6.0); + ASSERT_DOUBLE_EQ(bonus[2].length, 2.0); + ASSERT_DOUBLE_EQ(bonus[2].theta, 0.0); + ASSERT_DOUBLE_EQ(bonus[3].length, 3.0); + ASSERT_DOUBLE_EQ(bonus[3].theta, MathConst::MY_PI/6.0); +} } // namespace LAMMPS_NS int main(int argc, char **argv)