diff --git a/unittest/c-library/test_library_properties.cpp b/unittest/c-library/test_library_properties.cpp index de40c85617..07e920bda7 100644 --- a/unittest/c-library/test_library_properties.cpp +++ b/unittest/c-library/test_library_properties.cpp @@ -346,15 +346,18 @@ TEST_F(LibraryProperties, neighlist) lammps_command(lmp, "run 0 post no"); if (!verbose) ::testing::internal::GetCapturedStdout(); - int nhisto = *(double *)lammps_extract_fix(lmp,"dist",LMP_STYLE_GLOBAL,LMP_TYPE_VECTOR,0,0); - int nskip = *(double *)lammps_extract_fix(lmp,"dist",LMP_STYLE_GLOBAL,LMP_TYPE_VECTOR,1,0); - double minval = *(double *)lammps_extract_fix(lmp,"dist",LMP_STYLE_GLOBAL,LMP_TYPE_VECTOR,2,0); - double maxval = *(double *)lammps_extract_fix(lmp,"dist",LMP_STYLE_GLOBAL,LMP_TYPE_VECTOR,3,0); + int nhisto = + *(double *)lammps_extract_fix(lmp, "dist", LMP_STYLE_GLOBAL, LMP_TYPE_VECTOR, 0, 0); + int nskip = *(double *)lammps_extract_fix(lmp, "dist", LMP_STYLE_GLOBAL, LMP_TYPE_VECTOR, 1, 0); + double minval = + *(double *)lammps_extract_fix(lmp, "dist", LMP_STYLE_GLOBAL, LMP_TYPE_VECTOR, 2, 0); + double maxval = + *(double *)lammps_extract_fix(lmp, "dist", LMP_STYLE_GLOBAL, LMP_TYPE_VECTOR, 3, 0); // 21 pair distances counted, none skipped, smallest 1.0, largest 2.1 - EXPECT_EQ(nhisto,21); - EXPECT_EQ(nskip,0); - EXPECT_DOUBLE_EQ(minval,1.0); - EXPECT_DOUBLE_EQ(maxval,2.1); + EXPECT_EQ(nhisto, 21); + EXPECT_EQ(nskip, 0); + EXPECT_DOUBLE_EQ(minval, 1.0); + EXPECT_DOUBLE_EQ(maxval, 2.1); const int nlocal = lammps_extract_setting(lmp, "nlocal"); EXPECT_EQ(nlocal, numatoms); @@ -364,9 +367,9 @@ TEST_F(LibraryProperties, neighlist) EXPECT_NE(lammps_find_pair_neighlist(lmp, "lj/cut", 1, 2, 0), -1); EXPECT_EQ(lammps_find_pair_neighlist(lmp, "lj/cut", 1, 0, 0), -1); EXPECT_EQ(lammps_find_pair_neighlist(lmp, "hybrid/overlay", 1, 0, 0), -1); - EXPECT_NE(lammps_find_compute_neighlist(lmp, "dist", 0),-1); - EXPECT_EQ(lammps_find_fix_neighlist(lmp, "dist", 0),-1); - EXPECT_EQ(lammps_find_compute_neighlist(lmp, "xxx", 0),-1); + EXPECT_NE(lammps_find_compute_neighlist(lmp, "dist", 0), -1); + EXPECT_EQ(lammps_find_fix_neighlist(lmp, "dist", 0), -1); + EXPECT_EQ(lammps_find_compute_neighlist(lmp, "xxx", 0), -1); // full neighbor list for 4 type 1 atoms // all have 3 type 1 atom neighbors @@ -374,11 +377,11 @@ TEST_F(LibraryProperties, neighlist) int num = lammps_neighlist_num_elements(lmp, idx); EXPECT_EQ(num, 4); int iatom, inum, *neighbors; - for (int i=0; i < num; ++i) { + for (int i = 0; i < num; ++i) { lammps_neighlist_element_neighbors(lmp, idx, i, &iatom, &inum, &neighbors); - EXPECT_EQ(iatom,i); - EXPECT_EQ(inum,3); - EXPECT_NE(neighbors,nullptr); + EXPECT_EQ(iatom, i); + EXPECT_EQ(inum, 3); + EXPECT_NE(neighbors, nullptr); } // half neighbor list for all pairs between type 1 and type 2 @@ -386,11 +389,13 @@ TEST_F(LibraryProperties, neighlist) idx = lammps_find_pair_neighlist(lmp, "morse", 0, 0, 0); num = lammps_neighlist_num_elements(lmp, idx); EXPECT_EQ(num, nlocal); - for (int i=0; i < num; ++i) { + for (int i = 0; i < num; ++i) { lammps_neighlist_element_neighbors(lmp, idx, i, &iatom, &inum, &neighbors); - if (i < 4) EXPECT_EQ(inum, 3); - else EXPECT_EQ(inum,0); - EXPECT_NE(neighbors,nullptr); + if (i < 4) + EXPECT_EQ(inum, 3); + else + EXPECT_EQ(inum, 0); + EXPECT_NE(neighbors, nullptr); } // half neighbor list between type 2 atoms only @@ -398,30 +403,30 @@ TEST_F(LibraryProperties, neighlist) idx = lammps_find_pair_neighlist(lmp, "lj/cut", 1, 1, 0); num = lammps_neighlist_num_elements(lmp, idx); EXPECT_EQ(num, 3); - for (int i=0; i < num; ++i) { + for (int i = 0; i < num; ++i) { lammps_neighlist_element_neighbors(lmp, idx, i, &iatom, &inum, &neighbors); - EXPECT_EQ(inum,2-i); - EXPECT_NE(neighbors,nullptr); + EXPECT_EQ(inum, 2 - i); + EXPECT_NE(neighbors, nullptr); } // half neighbor list between all pairs. same as simple lj/cut case idx = lammps_find_pair_neighlist(lmp, "lj/cut", 1, 2, 0); num = lammps_neighlist_num_elements(lmp, idx); EXPECT_EQ(num, nlocal); - for (int i=0; i < num; ++i) { + for (int i = 0; i < num; ++i) { lammps_neighlist_element_neighbors(lmp, idx, i, &iatom, &inum, &neighbors); - EXPECT_EQ(inum,nlocal-1-i); - EXPECT_NE(neighbors,nullptr); + EXPECT_EQ(inum, nlocal - 1 - i); + EXPECT_NE(neighbors, nullptr); } // the compute has a half neighbor list idx = lammps_find_compute_neighlist(lmp, "dist", 0); num = lammps_neighlist_num_elements(lmp, idx); EXPECT_EQ(num, nlocal); - for (int i=0; i < num; ++i) { + for (int i = 0; i < num; ++i) { lammps_neighlist_element_neighbors(lmp, idx, i, &iatom, &inum, &neighbors); - EXPECT_EQ(inum,nlocal-1-i); - EXPECT_NE(neighbors,nullptr); + EXPECT_EQ(inum, nlocal - 1 - i); + EXPECT_NE(neighbors, nullptr); } };