mirror of https://github.com/lammps/lammps.git
update body/nparticle tester
This commit is contained in:
Axel Kohlmeyer
parent
548629958e
commit
d6e6b840e9
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@ -2691,10 +2691,10 @@ TEST_F(AtomStyleTest, body_nparticle)
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if (!verbose) ::testing::internal::GetCapturedStdout();
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ASSERT_THAT(std::string(lmp->atom->atom_style), Eq("body"));
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auto body = (AtomVecBody *)lmp->atom->avec;
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auto avec = (AtomVecBody *)lmp->atom->avec;
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EXPECT_NE(lmp->atom->avec, nullptr);
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EXPECT_NE(body->bptr, nullptr);
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EXPECT_THAT(std::string(body->bptr->style), Eq("nparticle"));
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EXPECT_NE(avec->bptr, nullptr);
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EXPECT_THAT(std::string(avec->bptr->style), Eq("nparticle"));
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EXPECT_EQ(lmp->atom->natoms, 0);
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EXPECT_EQ(lmp->atom->nlocal, 0);
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@ -2890,9 +2890,9 @@ TEST_F(AtomStyleTest, body_nparticle)
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"-4.0 4.0 zlo zhi\n\n"
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"Atoms # body\n\n"
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"1 1 1 4.0 -2.0 2.0 0.1\n"
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"2 1 1 4.0 -2.0 -2.0 0.1\n"
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"3 2 1 2.4 2.0 -2.0 -0.1\n"
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"4 2 1 2.4 2.0 2.0 -0.1\n\n"
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"2 1 1 4.0 -2.0 -2.0 -0.1\n"
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"3 2 1 2.4 2.0 2.0 -0.1\n"
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"4 2 1 2.4 2.0 -2.0 0.1\n\n"
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"Bodies\n\n"
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"1 1 12\n"
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"2\n"
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@ -2921,12 +2921,16 @@ TEST_F(AtomStyleTest, body_nparticle)
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fputs(data_file, fp);
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fclose(fp);
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if (!verbose) ::testing::internal::CaptureStdout();
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lmp->input->one("atom_modify map array");
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lmp->input->one("read_data input_atom_styles.data");
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lmp->input->one("create_atoms 3 single 2.0 2.0 -2.1");
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lmp->input->one("create_atoms 3 single 2.0 -2.0 2.1");
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lmp->input->one("set type 3 mass 4.4");
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lmp->input->one("set atom 1 quat 1.0 0.0 0.0 0.0");
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lmp->input->one("set atom 2 quat 0.0 1.0 0.0 90.0");
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lmp->input->one("set atom 3 quat 1.0 0.0 1.0 30.0");
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lmp->input->one("set atom 4 quat 1.0 1.0 1.0 60.0");
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lmp->input->one("pair_coeff * *");
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lmp->input->one("write_data input_check.data nocoeff");
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if (!verbose) ::testing::internal::GetCapturedStdout();
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EXPECT_THAT(std::string(lmp->atom->atom_style), Eq("body"));
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EXPECT_NE(lmp->atom->avec, nullptr);
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@ -2958,41 +2962,12 @@ TEST_F(AtomStyleTest, body_nparticle)
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EXPECT_NE(lmp->atom->radius, nullptr);
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EXPECT_EQ(lmp->atom->mass_setflag, nullptr);
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if (!verbose) ::testing::internal::CaptureStdout();
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lmp->input->one("write_data test_atom_styles.data nocoeff");
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lmp->input->one("clear");
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lmp->input->one("atom_style body nparticle 2 4");
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lmp->input->one("pair_style zero 4.0");
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lmp->input->one("units real");
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lmp->input->one("atom_modify map array");
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lmp->input->one("read_data test_atom_styles.data");
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lmp->input->one("pair_coeff * *");
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if (!verbose) ::testing::internal::GetCapturedStdout();
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EXPECT_THAT(std::string(lmp->atom->atom_style), Eq("tri"));
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EXPECT_NE(lmp->atom->avec, nullptr);
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EXPECT_EQ(lmp->atom->natoms, 6);
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EXPECT_EQ(lmp->atom->nlocal, 6);
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EXPECT_EQ(lmp->atom->ntris, 4);
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EXPECT_EQ(lmp->atom->nghost, 0);
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EXPECT_NE(lmp->atom->nmax, -1);
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EXPECT_EQ(lmp->atom->tag_enable, 1);
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EXPECT_EQ(lmp->atom->molecular, 0);
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EXPECT_EQ(lmp->atom->ntypes, 3);
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EXPECT_EQ(lmp->atom->tri_flag, 1);
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EXPECT_NE(lmp->atom->tri, nullptr);
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EXPECT_NE(lmp->atom->sametag, nullptr);
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EXPECT_EQ(lmp->atom->tag_consecutive(), 1);
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EXPECT_EQ(lmp->atom->map_style, 1);
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EXPECT_EQ(lmp->atom->map_user, 1);
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EXPECT_EQ(lmp->atom->map_tag_max, 6);
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auto x = lmp->atom->x;
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auto v = lmp->atom->v;
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auto type = lmp->atom->type;
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auto tri = lmp->atom->tri;
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auto body = lmp->atom->body;
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auto rmass = lmp->atom->rmass;
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auto radius = lmp->atom->radius;
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auto avec = (AtomVecTri *)lmp->atom->avec;
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auto bonus = avec->bonus;
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EXPECT_DOUBLE_EQ(x[GETIDX(1)][0], -2.0);
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EXPECT_DOUBLE_EQ(x[GETIDX(1)][1], 2.0);
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@ -3036,89 +3011,105 @@ TEST_F(AtomStyleTest, body_nparticle)
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EXPECT_EQ(type[GETIDX(4)], 2);
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EXPECT_EQ(type[GETIDX(5)], 3);
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EXPECT_EQ(type[GETIDX(6)], 3);
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EXPECT_EQ(tri[GETIDX(1)], 0);
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EXPECT_EQ(tri[GETIDX(2)], 1);
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EXPECT_EQ(tri[GETIDX(3)], 2);
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EXPECT_EQ(tri[GETIDX(4)], 3);
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EXPECT_EQ(tri[GETIDX(5)], -1);
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EXPECT_EQ(tri[GETIDX(6)], -1);
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EXPECT_EQ(body[GETIDX(1)], 0);
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EXPECT_EQ(body[GETIDX(2)], 1);
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EXPECT_EQ(body[GETIDX(3)], 2);
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EXPECT_EQ(body[GETIDX(4)], 3);
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EXPECT_EQ(body[GETIDX(5)], -1);
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EXPECT_EQ(body[GETIDX(6)], -1);
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EXPECT_DOUBLE_EQ(rmass[GETIDX(1)], 4);
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EXPECT_DOUBLE_EQ(rmass[GETIDX(2)], 4);
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EXPECT_DOUBLE_EQ(rmass[GETIDX(3)], 2.4);
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EXPECT_DOUBLE_EQ(rmass[GETIDX(4)], 2.4);
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EXPECT_DOUBLE_EQ(rmass[GETIDX(5)], 4.4);
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EXPECT_DOUBLE_EQ(rmass[GETIDX(6)], 4.4);
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EXPECT_DOUBLE_EQ(radius[GETIDX(1)], 0.5773502691896258);
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EXPECT_DOUBLE_EQ(radius[GETIDX(2)], 0.5773502691896258);
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EXPECT_DOUBLE_EQ(radius[GETIDX(3)], 0.8660254037844390);
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EXPECT_DOUBLE_EQ(radius[GETIDX(4)], 0.8660254037844390);
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EXPECT_DOUBLE_EQ(radius[GETIDX(1)], 0.5);
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EXPECT_DOUBLE_EQ(radius[GETIDX(2)], 0.5);
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EXPECT_DOUBLE_EQ(radius[GETIDX(3)], 0.5);
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EXPECT_DOUBLE_EQ(radius[GETIDX(4)], 0.5);
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EXPECT_DOUBLE_EQ(radius[GETIDX(5)], 0.5);
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EXPECT_DOUBLE_EQ(radius[GETIDX(6)], 0.5);
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EXPECT_DOUBLE_EQ(bonus[0].inertia[0], 0.072258416330334363);
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EXPECT_DOUBLE_EQ(bonus[0].inertia[1], 13.94589575227541);
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EXPECT_DOUBLE_EQ(bonus[0].inertia[2], 14.017974903242481);
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EXPECT_DOUBLE_EQ(bonus[1].inertia[0], 13.982119044342252);
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EXPECT_DOUBLE_EQ(bonus[1].inertia[1], 0.10811427523057447);
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EXPECT_DOUBLE_EQ(bonus[1].inertia[2], 13.945895752275419);
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EXPECT_DOUBLE_EQ(bonus[2].inertia[0], 0.23541253382609079);
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EXPECT_DOUBLE_EQ(bonus[2].inertia[1], 18.948744087979005);
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EXPECT_DOUBLE_EQ(bonus[2].inertia[2], 19.15175691481879);
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EXPECT_DOUBLE_EQ(bonus[3].inertia[0], 19.018309360029388);
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EXPECT_DOUBLE_EQ(bonus[3].inertia[1], 0.36886008861549813);
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EXPECT_DOUBLE_EQ(bonus[3].inertia[2], 18.948744087979012);
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EXPECT_DOUBLE_EQ(bonus[0].quat[0], 0.92373678792937974);
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EXPECT_DOUBLE_EQ(bonus[0].quat[1], 0.0067268233964605153);
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EXPECT_DOUBLE_EQ(bonus[0].quat[2], 0.016239988275423625);
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EXPECT_DOUBLE_EQ(bonus[0].quat[3], -0.38262430562330857);
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EXPECT_DOUBLE_EQ(bonus[1].quat[0], 0.92420701665838023);
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EXPECT_DOUBLE_EQ(bonus[1].quat[1], 0.023090752704586423);
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EXPECT_DOUBLE_EQ(bonus[1].quat[2], 0.0095209086022933816);
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EXPECT_DOUBLE_EQ(bonus[1].quat[3], -0.38107421822833848);
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EXPECT_DOUBLE_EQ(bonus[2].quat[0], 0.90191325590647364);
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EXPECT_DOUBLE_EQ(bonus[2].quat[1], 0.20096813128512517);
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EXPECT_DOUBLE_EQ(bonus[2].quat[2], 0.10027584751231088);
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EXPECT_DOUBLE_EQ(bonus[2].quat[3], 0.36892959143125964);
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EXPECT_DOUBLE_EQ(bonus[3].quat[0], 0.8851587738551242);
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EXPECT_DOUBLE_EQ(bonus[3].quat[1], 0.093233030525564045);
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EXPECT_DOUBLE_EQ(bonus[3].quat[2], -0.26735735980719261);
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EXPECT_DOUBLE_EQ(bonus[3].quat[3], 0.36921753647848277);
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EXPECT_DOUBLE_EQ(bonus[0].c1[0], -0.14933690186163631);
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EXPECT_DOUBLE_EQ(bonus[0].c1[1], -0.55767753582520529);
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EXPECT_DOUBLE_EQ(bonus[0].c1[2], -0.0052525338293288905);
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EXPECT_DOUBLE_EQ(bonus[1].c1[0], 0.18561232929671426);
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EXPECT_DOUBLE_EQ(bonus[1].c1[1], -0.18681344121910506);
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EXPECT_DOUBLE_EQ(bonus[1].c1[2], 0.51379191773154387);
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EXPECT_DOUBLE_EQ(bonus[2].c1[0], -0.78775285695558617);
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EXPECT_DOUBLE_EQ(bonus[2].c1[1], -0.28372571379613187);
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EXPECT_DOUBLE_EQ(bonus[2].c1[2], -0.22123552085772166);
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EXPECT_DOUBLE_EQ(bonus[3].c1[0], -0.69845793336676587);
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EXPECT_DOUBLE_EQ(bonus[3].c1[1], -0.47901475403318056);
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EXPECT_DOUBLE_EQ(bonus[3].c1[2], 0.18083523090249506);
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EXPECT_DOUBLE_EQ(bonus[0].c2[0], 0.55733290519255385);
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EXPECT_DOUBLE_EQ(bonus[0].c2[1], 0.14942924536134222);
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EXPECT_DOUBLE_EQ(bonus[0].c2[2], 0.019602723119529659);
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EXPECT_DOUBLE_EQ(bonus[1].c2[0], 0.2208094914375279);
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EXPECT_DOUBLE_EQ(bonus[1].c2[1], -0.22223836695322471);
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EXPECT_DOUBLE_EQ(bonus[1].c2[2], -0.48496042114630089);
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EXPECT_DOUBLE_EQ(bonus[2].c2[0], 0.6304379562181005);
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EXPECT_DOUBLE_EQ(bonus[2].c2[1], -0.56674478453558153);
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EXPECT_DOUBLE_EQ(bonus[2].c2[2], 0.17705460333259249);
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EXPECT_DOUBLE_EQ(bonus[3].c2[0], 0.22007613459534958);
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EXPECT_DOUBLE_EQ(bonus[3].c2[1], 0.15093208974463554);
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EXPECT_DOUBLE_EQ(bonus[3].c2[2], -0.8238847002262436);
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EXPECT_DOUBLE_EQ(bonus[0].c3[0], -0.40799600333091751);
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EXPECT_DOUBLE_EQ(bonus[0].c3[1], 0.40824829046386302);
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EXPECT_DOUBLE_EQ(bonus[0].c3[2], -0.014350189290200811);
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EXPECT_DOUBLE_EQ(bonus[1].c3[0], -0.40642182073424188);
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EXPECT_DOUBLE_EQ(bonus[1].c3[1], 0.40905180817232945);
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EXPECT_DOUBLE_EQ(bonus[1].c3[2], -0.028831496585242929);
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EXPECT_DOUBLE_EQ(bonus[2].c3[0], 0.15731490073748589);
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EXPECT_DOUBLE_EQ(bonus[2].c3[1], 0.85047049833171351);
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EXPECT_DOUBLE_EQ(bonus[2].c3[2], 0.044180917525129149);
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EXPECT_DOUBLE_EQ(bonus[3].c3[0], 0.47838179877141634);
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EXPECT_DOUBLE_EQ(bonus[3].c3[1], 0.32808266428854471);
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EXPECT_DOUBLE_EQ(bonus[3].c3[2], 0.64304946932374851);
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EXPECT_DOUBLE_EQ(bonus[0].inertia[0], 2.0);
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EXPECT_DOUBLE_EQ(bonus[0].inertia[1], 2.0);
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EXPECT_DOUBLE_EQ(bonus[0].inertia[2], 0.0);
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EXPECT_DOUBLE_EQ(bonus[0].inertia[3], 0.0);
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EXPECT_DOUBLE_EQ(bonus[0].inertia[4], 0.0);
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EXPECT_DOUBLE_EQ(bonus[0].inertia[5], 0.0);
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EXPECT_DOUBLE_EQ(bonus[1].inertia[0], 0.5);
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EXPECT_DOUBLE_EQ(bonus[1].inertia[1], 4.0);
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EXPECT_DOUBLE_EQ(bonus[1].inertia[2], 4.5);
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EXPECT_DOUBLE_EQ(bonus[1].inertia[3], 0.0);
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EXPECT_DOUBLE_EQ(bonus[1].inertia[4], 0.0);
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EXPECT_DOUBLE_EQ(bonus[1].inertia[5], 0.0);
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EXPECT_DOUBLE_EQ(bonus[2].inertia[0], 1.67188);
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EXPECT_DOUBLE_EQ(bonus[2].inertia[1], 1.7746273249544022);
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EXPECT_DOUBLE_EQ(bonus[2].inertia[2], 0.49099767504559777);
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EXPECT_DOUBLE_EQ(bonus[2].inertia[3], 0.0);
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EXPECT_DOUBLE_EQ(bonus[2].inertia[4], 0.0);
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EXPECT_DOUBLE_EQ(bonus[2].inertia[5], 0.0);
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EXPECT_DOUBLE_EQ(bonus[3].inertia[0], 12.0);
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EXPECT_DOUBLE_EQ(bonus[3].inertia[1], 0.0);
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EXPECT_DOUBLE_EQ(bonus[3].inertia[2], 12.0);
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EXPECT_DOUBLE_EQ(bonus[3].inertia[3], 0.0);
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EXPECT_DOUBLE_EQ(bonus[3].inertia[4], 0.0);
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EXPECT_DOUBLE_EQ(bonus[3].inertia[5], 0.0);
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ASSERT_DOUBLE_EQ(bonus[0].quat[0], 1.0);
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ASSERT_DOUBLE_EQ(bonus[0].quat[1], 0.0);
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ASSERT_DOUBLE_EQ(bonus[0].quat[2], 0.0);
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ASSERT_DOUBLE_EQ(bonus[0].quat[3], 0.0);
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ASSERT_DOUBLE_EQ(bonus[1].quat[0], sqrt(0.5));
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ASSERT_DOUBLE_EQ(bonus[1].quat[1], 0.0);
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ASSERT_DOUBLE_EQ(bonus[1].quat[2], sqrt(0.5));
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ASSERT_DOUBLE_EQ(bonus[1].quat[3], 0.0);
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ASSERT_DOUBLE_EQ(bonus[2].quat[0], 0.9351131265310294);
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ASSERT_DOUBLE_EQ(bonus[2].quat[1], 0.25056280708573159);
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ASSERT_DOUBLE_EQ(bonus[2].quat[2], 0.0);
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ASSERT_DOUBLE_EQ(bonus[2].quat[3], 0.25056280708573159);
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ASSERT_DOUBLE_EQ(bonus[3].quat[0], sqrt(0.5));
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ASSERT_DOUBLE_EQ(bonus[3].quat[1], sqrt(5.0 / 30.0));
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ASSERT_DOUBLE_EQ(bonus[3].quat[2], sqrt(5.0 / 30.0));
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ASSERT_DOUBLE_EQ(bonus[3].quat[3], sqrt(5.0 / 30.0));
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EXPECT_DOUBLE_EQ(bonus[0].ilocal, 0);
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EXPECT_DOUBLE_EQ(bonus[1].ilocal, 1);
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EXPECT_DOUBLE_EQ(bonus[2].ilocal, 2);
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EXPECT_DOUBLE_EQ(bonus[3].ilocal, 3);
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EXPECT_DOUBLE_EQ(bonus[0].ninteger, 0);
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EXPECT_DOUBLE_EQ(bonus[1].ninteger, 0);
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EXPECT_DOUBLE_EQ(bonus[2].ninteger, 0);
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EXPECT_DOUBLE_EQ(bonus[3].ninteger, 0);
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EXPECT_DOUBLE_EQ(bonus[0].ndouble, 0);
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EXPECT_DOUBLE_EQ(bonus[1].ndouble, 0);
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EXPECT_DOUBLE_EQ(bonus[2].ndouble, 0);
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EXPECT_DOUBLE_EQ(bonus[3].ndouble, 0);
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if (!verbose) ::testing::internal::CaptureStdout();
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lmp->input->one("write_data test_atom_styles.data nocoeff");
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lmp->input->one("clear");
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lmp->input->one("atom_style body nparticle 2 4");
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lmp->input->one("pair_style zero 4.0");
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lmp->input->one("units real");
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lmp->input->one("atom_modify map array");
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lmp->input->one("read_data test_atom_styles.data");
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lmp->input->one("pair_coeff * *");
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if (!verbose) ::testing::internal::GetCapturedStdout();
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EXPECT_THAT(std::string(lmp->atom->atom_style), Eq("tri"));
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EXPECT_NE(lmp->atom->avec, nullptr);
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EXPECT_EQ(lmp->atom->natoms, 6);
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EXPECT_EQ(lmp->atom->nlocal, 6);
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EXPECT_EQ(lmp->atom->ntris, 4);
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EXPECT_EQ(lmp->atom->nghost, 0);
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EXPECT_NE(lmp->atom->nmax, -1);
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EXPECT_EQ(lmp->atom->tag_enable, 1);
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EXPECT_EQ(lmp->atom->molecular, 0);
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EXPECT_EQ(lmp->atom->ntypes, 3);
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EXPECT_EQ(lmp->atom->body_flag, 1);
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EXPECT_NE(lmp->atom->body, nullptr);
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EXPECT_NE(lmp->atom->sametag, nullptr);
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EXPECT_EQ(lmp->atom->tag_consecutive(), 1);
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EXPECT_EQ(lmp->atom->map_style, 1);
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EXPECT_EQ(lmp->atom->map_user, 1);
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EXPECT_EQ(lmp->atom->map_tag_max, 6);
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if (!verbose) ::testing::internal::CaptureStdout();
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lmp->input->one("group two id 2:4:2");
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@ -3128,12 +3119,14 @@ TEST_F(AtomStyleTest, body_nparticle)
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lmp->input->one("read_restart test_atom_styles.restart");
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lmp->input->one("replicate 1 1 2");
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if (!verbose) ::testing::internal::GetCapturedStdout();
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EXPECT_THAT(std::string(lmp->atom->atom_style), Eq("tri"));
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EXPECT_THAT(std::string(lmp->atom->atom_style), Eq("body"));
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avec = (AtomVecBody *)lmp->atom->avec;
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EXPECT_THAT(std::string(avec->bptr->style), Eq("nparticle"));
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EXPECT_NE(lmp->atom->avec, nullptr);
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EXPECT_EQ(lmp->atom->natoms, 8);
|
||||
EXPECT_EQ(lmp->atom->nlocal, 8);
|
||||
EXPECT_EQ(lmp->atom->nghost, 0);
|
||||
EXPECT_EQ(lmp->atom->ntris, 4);
|
||||
EXPECT_EQ(lmp->atom->nbodies, 4);
|
||||
EXPECT_NE(lmp->atom->nmax, -1);
|
||||
EXPECT_EQ(lmp->atom->tag_enable, 1);
|
||||
EXPECT_EQ(lmp->atom->molecular, 0);
|
||||
|
|
@ -3142,10 +3135,9 @@ TEST_F(AtomStyleTest, body_nparticle)
|
|||
EXPECT_EQ(lmp->atom->map_tag_max, 12);
|
||||
|
||||
type = lmp->atom->type;
|
||||
tri = lmp->atom->tri;
|
||||
rmass = lmp->atom->rmass;
|
||||
radius = lmp->atom->radius;
|
||||
avec = (AtomVecTri *)lmp->atom->avec;
|
||||
body = lmp->atom->body;
|
||||
bonus = avec->bonus;
|
||||
EXPECT_EQ(type[GETIDX(1)], 1);
|
||||
EXPECT_EQ(type[GETIDX(3)], 2);
|
||||
|
|
@ -3155,14 +3147,14 @@ TEST_F(AtomStyleTest, body_nparticle)
|
|||
EXPECT_EQ(type[GETIDX(9)], 2);
|
||||
EXPECT_EQ(type[GETIDX(11)], 3);
|
||||
EXPECT_EQ(type[GETIDX(12)], 3);
|
||||
EXPECT_EQ(tri[GETIDX(1)], 0);
|
||||
EXPECT_EQ(tri[GETIDX(3)], 1);
|
||||
EXPECT_EQ(tri[GETIDX(5)], -1);
|
||||
EXPECT_EQ(tri[GETIDX(6)], -1);
|
||||
EXPECT_EQ(tri[GETIDX(7)], 2);
|
||||
EXPECT_EQ(tri[GETIDX(9)], 3);
|
||||
EXPECT_EQ(tri[GETIDX(11)], -1);
|
||||
EXPECT_EQ(tri[GETIDX(12)], -1);
|
||||
EXPECT_EQ(body[GETIDX(1)], 0);
|
||||
EXPECT_EQ(body[GETIDX(3)], 1);
|
||||
EXPECT_EQ(body[GETIDX(5)], -1);
|
||||
EXPECT_EQ(body[GETIDX(6)], -1);
|
||||
EXPECT_EQ(body[GETIDX(7)], 2);
|
||||
EXPECT_EQ(body[GETIDX(9)], 3);
|
||||
EXPECT_EQ(body[GETIDX(11)], -1);
|
||||
EXPECT_EQ(body[GETIDX(12)], -1);
|
||||
EXPECT_DOUBLE_EQ(rmass[GETIDX(1)], 4);
|
||||
EXPECT_DOUBLE_EQ(rmass[GETIDX(3)], 2.4);
|
||||
EXPECT_DOUBLE_EQ(rmass[GETIDX(5)], 4.4);
|
||||
|
|
@ -3208,54 +3200,31 @@ TEST_F(AtomStyleTest, body_nparticle)
|
|||
EXPECT_DOUBLE_EQ(bonus[3].quat[1], 0.20096813128512517);
|
||||
EXPECT_DOUBLE_EQ(bonus[3].quat[2], 0.10027584751231088);
|
||||
EXPECT_DOUBLE_EQ(bonus[3].quat[3], 0.36892959143125964);
|
||||
EXPECT_DOUBLE_EQ(bonus[0].c1[0], -0.14933690186163631);
|
||||
EXPECT_DOUBLE_EQ(bonus[0].c1[1], -0.55767753582520529);
|
||||
EXPECT_DOUBLE_EQ(bonus[0].c1[2], -0.0052525338293288905);
|
||||
EXPECT_DOUBLE_EQ(bonus[1].c1[0], -0.78775285695558617);
|
||||
EXPECT_DOUBLE_EQ(bonus[1].c1[1], -0.28372571379613187);
|
||||
EXPECT_DOUBLE_EQ(bonus[1].c1[2], -0.22123552085772166);
|
||||
EXPECT_DOUBLE_EQ(bonus[2].c1[0], -0.14933690186163631);
|
||||
EXPECT_DOUBLE_EQ(bonus[2].c1[1], -0.55767753582520529);
|
||||
EXPECT_DOUBLE_EQ(bonus[2].c1[2], -0.0052525338293288905);
|
||||
EXPECT_DOUBLE_EQ(bonus[3].c1[0], -0.78775285695558617);
|
||||
EXPECT_DOUBLE_EQ(bonus[3].c1[1], -0.28372571379613187);
|
||||
EXPECT_DOUBLE_EQ(bonus[3].c1[2], -0.22123552085772166);
|
||||
EXPECT_DOUBLE_EQ(bonus[0].c2[0], 0.55733290519255385);
|
||||
EXPECT_DOUBLE_EQ(bonus[0].c2[1], 0.14942924536134222);
|
||||
EXPECT_DOUBLE_EQ(bonus[0].c2[2], 0.019602723119529659);
|
||||
EXPECT_DOUBLE_EQ(bonus[1].c2[0], 0.6304379562181005);
|
||||
EXPECT_DOUBLE_EQ(bonus[1].c2[1], -0.56674478453558153);
|
||||
EXPECT_DOUBLE_EQ(bonus[1].c2[2], 0.17705460333259249);
|
||||
EXPECT_DOUBLE_EQ(bonus[2].c2[0], 0.55733290519255385);
|
||||
EXPECT_DOUBLE_EQ(bonus[2].c2[1], 0.14942924536134222);
|
||||
EXPECT_DOUBLE_EQ(bonus[2].c2[2], 0.019602723119529659);
|
||||
EXPECT_DOUBLE_EQ(bonus[3].c2[0], 0.6304379562181005);
|
||||
EXPECT_DOUBLE_EQ(bonus[3].c2[1], -0.56674478453558153);
|
||||
EXPECT_DOUBLE_EQ(bonus[3].c2[2], 0.17705460333259249);
|
||||
EXPECT_DOUBLE_EQ(bonus[0].c3[0], -0.40799600333091751);
|
||||
EXPECT_DOUBLE_EQ(bonus[0].c3[1], 0.40824829046386302);
|
||||
EXPECT_DOUBLE_EQ(bonus[0].c3[2], -0.014350189290200811);
|
||||
EXPECT_DOUBLE_EQ(bonus[1].c3[0], 0.15731490073748589);
|
||||
EXPECT_DOUBLE_EQ(bonus[1].c3[1], 0.85047049833171351);
|
||||
EXPECT_DOUBLE_EQ(bonus[1].c3[2], 0.044180917525129149);
|
||||
EXPECT_DOUBLE_EQ(bonus[2].c3[0], -0.40799600333091751);
|
||||
EXPECT_DOUBLE_EQ(bonus[2].c3[1], 0.40824829046386302);
|
||||
EXPECT_DOUBLE_EQ(bonus[2].c3[2], -0.014350189290200811);
|
||||
EXPECT_DOUBLE_EQ(bonus[3].c3[0], 0.15731490073748589);
|
||||
EXPECT_DOUBLE_EQ(bonus[3].c3[1], 0.85047049833171351);
|
||||
EXPECT_DOUBLE_EQ(bonus[3].c3[2], 0.044180917525129149);
|
||||
EXPECT_DOUBLE_EQ(bonus[0].ilocal, 1);
|
||||
EXPECT_DOUBLE_EQ(bonus[1].ilocal, 1);
|
||||
EXPECT_DOUBLE_EQ(bonus[2].ilocal, 1);
|
||||
EXPECT_DOUBLE_EQ(bonus[3].ilocal, 1);
|
||||
EXPECT_DOUBLE_EQ(bonus[0].ninteger, 1);
|
||||
EXPECT_DOUBLE_EQ(bonus[1].ninteger, 1);
|
||||
EXPECT_DOUBLE_EQ(bonus[2].ninteger, 1);
|
||||
EXPECT_DOUBLE_EQ(bonus[3].ninteger, 1);
|
||||
EXPECT_DOUBLE_EQ(bonus[0].ndouble, 1);
|
||||
EXPECT_DOUBLE_EQ(bonus[1].ndouble, 1);
|
||||
EXPECT_DOUBLE_EQ(bonus[2].ndouble, 1);
|
||||
EXPECT_DOUBLE_EQ(bonus[3].ndouble, 1);
|
||||
|
||||
if (!verbose) ::testing::internal::CaptureStdout();
|
||||
lmp->input->one("reset_atom_ids");
|
||||
if (!verbose) ::testing::internal::GetCapturedStdout();
|
||||
EXPECT_EQ(lmp->atom->ntris, 4);
|
||||
EXPECT_EQ(lmp->atom->nbodies, 4);
|
||||
EXPECT_EQ(lmp->atom->tag_consecutive(), 1);
|
||||
EXPECT_EQ(lmp->atom->map_tag_max, 8);
|
||||
|
||||
tri = lmp->atom->tri;
|
||||
rmass = lmp->atom->rmass;
|
||||
avec = (AtomVecTri *)lmp->atom->avec;
|
||||
bonus = avec->bonus;
|
||||
body = lmp->atom->body;
|
||||
rmass = lmp->atom->rmass;
|
||||
radius = lmp->atom->radius;
|
||||
avec = (AtomVecBody *)lmp->atom->avec;
|
||||
bonus = avec->bonus;
|
||||
EXPECT_EQ(type[GETIDX(1)], 1);
|
||||
EXPECT_EQ(type[GETIDX(2)], 3);
|
||||
EXPECT_EQ(type[GETIDX(3)], 2);
|
||||
|
|
@ -3264,14 +3233,14 @@ TEST_F(AtomStyleTest, body_nparticle)
|
|||
EXPECT_EQ(type[GETIDX(6)], 3);
|
||||
EXPECT_EQ(type[GETIDX(7)], 2);
|
||||
EXPECT_EQ(type[GETIDX(8)], 3);
|
||||
EXPECT_EQ(tri[GETIDX(1)], 0);
|
||||
EXPECT_EQ(tri[GETIDX(2)], -1);
|
||||
EXPECT_EQ(tri[GETIDX(3)], 1);
|
||||
EXPECT_EQ(tri[GETIDX(4)], -1);
|
||||
EXPECT_EQ(tri[GETIDX(5)], 2);
|
||||
EXPECT_EQ(tri[GETIDX(6)], -1);
|
||||
EXPECT_EQ(tri[GETIDX(7)], 3);
|
||||
EXPECT_EQ(tri[GETIDX(8)], -1);
|
||||
EXPECT_EQ(body[GETIDX(1)], 0);
|
||||
EXPECT_EQ(body[GETIDX(2)], -1);
|
||||
EXPECT_EQ(body[GETIDX(3)], 1);
|
||||
EXPECT_EQ(body[GETIDX(4)], -1);
|
||||
EXPECT_EQ(body[GETIDX(5)], 2);
|
||||
EXPECT_EQ(body[GETIDX(6)], -1);
|
||||
EXPECT_EQ(body[GETIDX(7)], 3);
|
||||
EXPECT_EQ(body[GETIDX(8)], -1);
|
||||
EXPECT_DOUBLE_EQ(bonus[0].inertia[0], 0.072258416330334363);
|
||||
EXPECT_DOUBLE_EQ(bonus[0].inertia[1], 13.94589575227541);
|
||||
EXPECT_DOUBLE_EQ(bonus[0].inertia[2], 14.017974903242481);
|
||||
|
|
|
|||
Loading…
Reference in New Issue