mirror of https://github.com/phonopy/phono3py.git
Add tests for C gridsys library
test_gridsys_get_double_grid_index test_gridsys_get_grid_index_from_address test_gridsys_rotate_grid_index
This commit is contained in:
Atsushi Togo
parent
4321c1083c
commit
ff4d64c0aa
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@ -2,6 +2,7 @@
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extern "C" {
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extern "C" {
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#include "gridsys.h"
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#include "gridsys.h"
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#include "utils.h"
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}
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}
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/**
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/**
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@ -11,13 +12,13 @@ extern "C" {
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TEST(test_gridsys, test_gridsys_get_all_grid_addresses) {
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TEST(test_gridsys, test_gridsys_get_all_grid_addresses) {
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long(*gr_grid_addresses)[3];
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long(*gr_grid_addresses)[3];
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long D_diag[3] = {3, 4, 5};
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long D_diag[3] = {3, 4, 5};
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long n, i, j, k, grid_index;
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long n, i, j, k;
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long grid_index = 0;
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n = D_diag[0] * D_diag[1] * D_diag[2];
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n = D_diag[0] * D_diag[1] * D_diag[2];
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gr_grid_addresses = (long(*)[3])malloc(sizeof(long[3]) * n);
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gr_grid_addresses = (long(*)[3])malloc(sizeof(long[3]) * n);
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gridsys_get_all_grid_addresses(gr_grid_addresses, D_diag);
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gridsys_get_all_grid_addresses(gr_grid_addresses, D_diag);
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grid_index = 0;
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for (k = 0; k < D_diag[2]; k++) {
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for (k = 0; k < D_diag[2]; k++) {
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for (j = 0; j < D_diag[1]; j++) {
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for (j = 0; j < D_diag[1]; j++) {
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for (i = 0; i < D_diag[0]; i++) {
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for (i = 0; i < D_diag[0]; i++) {
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@ -60,7 +61,8 @@ TEST(test_gridsys, test_gridsys_get_double_grid_address) {
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TEST(test_gridsys, test_gridsys_get_grid_address_from_index) {
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TEST(test_gridsys, test_gridsys_get_grid_address_from_index) {
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long address[3];
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long address[3];
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long D_diag[3] = {3, 4, 5};
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long D_diag[3] = {3, 4, 5};
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long i, j, k, l, grid_index;
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long i, j, k, l;
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long grid_index = 0;
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for (k = 0; k < D_diag[2]; k++) {
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for (k = 0; k < D_diag[2]; k++) {
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for (j = 0; j < D_diag[1]; j++) {
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for (j = 0; j < D_diag[1]; j++) {
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@ -78,6 +80,135 @@ TEST(test_gridsys, test_gridsys_get_grid_address_from_index) {
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}
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}
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}
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}
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/**
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* @brief gridsys_get_double_grid_index
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* Return grid point index corresponding to double grid address in GR-grid.
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*/
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TEST(test_gridsys, test_gridsys_get_double_grid_index) {
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long address_double[3], address[3];
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long D_diag[3] = {3, 4, 5};
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long PS[8][3] = {{0, 0, 0}, {0, 0, 3}, {0, 3, 0}, {0, 3, 3},
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{3, 0, 0}, {3, 0, 3}, {3, 3, 0}, {3, 3, 3}};
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long i, j, k, l, grid_index;
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for (l = 0; l < 8; l++) {
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grid_index = 0;
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for (k = 0; k < D_diag[2]; k++) {
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address[2] = k;
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for (j = 0; j < D_diag[1]; j++) {
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address[1] = j;
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for (i = 0; i < D_diag[0]; i++) {
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address[0] = i;
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gridsys_get_double_grid_address(address_double, address,
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PS[l]);
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ASSERT_EQ(grid_index, gridsys_get_double_grid_index(
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address_double, D_diag, PS[l]));
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grid_index++;
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}
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}
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}
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}
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}
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/**
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* @brief gridsys_get_grid_index_from_address
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* Return grid point index corresponding to grid address in GR-grid.
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*/
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TEST(test_gridsys, test_gridsys_get_grid_index_from_address) {
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long address[3];
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long D_diag[3] = {3, 4, 5};
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long i, j, k;
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long grid_index = 0;
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for (k = 0; k < D_diag[2]; k++) {
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address[2] = k;
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for (j = 0; j < D_diag[1]; j++) {
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address[1] = j;
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for (i = 0; i < D_diag[0]; i++) {
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address[0] = i;
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ASSERT_EQ(grid_index,
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gridsys_get_grid_index_from_address(address, D_diag));
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grid_index++;
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}
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}
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}
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}
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/**
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* @brief gridsys_rotate_grid_index
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* Return grid point index of rotated address of given grid point index.
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*/
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TEST(test_gridsys, test_gridsys_rotate_grid_index) {
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long address[3], rot_address[3];
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long D_diag[3] = {3, 4, 5};
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long PS[8][3] = {{0, 0, 0}, {0, 0, 3}, {0, 3, 0}, {0, 3, 3},
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{3, 0, 0}, {3, 0, 3}, {3, 3, 0}, {3, 3, 3}};
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long i, j, k, l;
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long grid_index = 0;
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long rot_grid_index;
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long rot_grid_indices[8][60] = {
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{0, 9, 6, 1, 10, 7, 2, 11, 8, 0, 9, 6, 48, 57, 54,
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49, 58, 55, 50, 59, 56, 48, 57, 54, 36, 45, 42, 37, 46, 43,
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38, 47, 44, 36, 45, 42, 24, 33, 30, 25, 34, 31, 26, 35, 32,
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24, 33, 30, 12, 21, 18, 13, 22, 19, 14, 23, 20, 12, 21, 18},
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{24, 33, 30, 25, 34, 31, 26, 35, 32, 24, 33, 30, 12, 21, 18,
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13, 22, 19, 14, 23, 20, 12, 21, 18, 0, 9, 6, 1, 10, 7,
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2, 11, 8, 0, 9, 6, 48, 57, 54, 49, 58, 55, 50, 59, 56,
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48, 57, 54, 36, 45, 42, 37, 46, 43, 38, 47, 44, 36, 45, 42},
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{10, 7, 4, 11, 8, 5, 9, 6, 3, 10, 7, 4, 58, 55, 52,
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59, 56, 53, 57, 54, 51, 58, 55, 52, 46, 43, 40, 47, 44, 41,
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45, 42, 39, 46, 43, 40, 34, 31, 28, 35, 32, 29, 33, 30, 27,
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34, 31, 28, 22, 19, 16, 23, 20, 17, 21, 18, 15, 22, 19, 16},
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{34, 31, 28, 35, 32, 29, 33, 30, 27, 34, 31, 28, 22, 19, 16,
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23, 20, 17, 21, 18, 15, 22, 19, 16, 10, 7, 4, 11, 8, 5,
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9, 6, 3, 10, 7, 4, 58, 55, 52, 59, 56, 53, 57, 54, 51,
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58, 55, 52, 46, 43, 40, 47, 44, 41, 45, 42, 39, 46, 43, 40},
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{11, 8, 5, 9, 6, 3, 9, 6, 3, 10, 7, 4, 59, 56, 53,
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57, 54, 51, 57, 54, 51, 58, 55, 52, 47, 44, 41, 45, 42, 39,
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45, 42, 39, 46, 43, 40, 35, 32, 29, 33, 30, 27, 33, 30, 27,
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34, 31, 28, 23, 20, 17, 21, 18, 15, 21, 18, 15, 22, 19, 16},
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{35, 32, 29, 33, 30, 27, 33, 30, 27, 34, 31, 28, 23, 20, 17,
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21, 18, 15, 21, 18, 15, 22, 19, 16, 11, 8, 5, 9, 6, 3,
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9, 6, 3, 10, 7, 4, 59, 56, 53, 57, 54, 51, 57, 54, 51,
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58, 55, 52, 47, 44, 41, 45, 42, 39, 45, 42, 39, 46, 43, 40},
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{3, 0, 9, 4, 1, 10, 5, 2, 11, 3, 0, 9, 51, 48, 57,
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52, 49, 58, 53, 50, 59, 51, 48, 57, 39, 36, 45, 40, 37, 46,
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41, 38, 47, 39, 36, 45, 27, 24, 33, 28, 25, 34, 29, 26, 35,
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27, 24, 33, 15, 12, 21, 16, 13, 22, 17, 14, 23, 15, 12, 21},
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{27, 24, 33, 28, 25, 34, 29, 26, 35, 27, 24, 33, 15, 12, 21,
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16, 13, 22, 17, 14, 23, 15, 12, 21, 3, 0, 9, 4, 1, 10,
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5, 2, 11, 3, 0, 9, 51, 48, 57, 52, 49, 58, 53, 50, 59,
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51, 48, 57, 39, 36, 45, 40, 37, 46, 41, 38, 47, 39, 36, 45}};
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// Rutile R^T of a screw operation.
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long rotation[3][3] = {{0, 1, 0}, {-1, 0, 0}, {0, 0, -1}};
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grid_index = 0;
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for (k = 0; k < D_diag[2]; k++) {
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address[2] = k;
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for (j = 0; j < D_diag[1]; j++) {
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address[1] = j;
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for (i = 0; i < D_diag[0]; i++) {
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address[0] = i;
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lagmat_multiply_matrix_vector_l3(rot_address, rotation,
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address);
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ASSERT_EQ(
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(gridsys_get_grid_index_from_address(rot_address, D_diag)),
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(gridsys_rotate_grid_index(grid_index, rotation, D_diag,
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PS[0])));
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grid_index++;
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}
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}
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}
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for (l = 0; l < 8; l++) {
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for (grid_index = 0; grid_index < 60; grid_index++) {
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ASSERT_EQ(
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rot_grid_indices[l][grid_index],
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gridsys_rotate_grid_index(grid_index, rotation, D_diag, PS[l]));
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}
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}
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}
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/* TEST(test_gridsys, test_gridsys_get_all_grid_addresses) {
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/* TEST(test_gridsys, test_gridsys_get_all_grid_addresses) {
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double lattice[3][3] = {{4, 0, 0}, {0, 4, 0}, {0, 0, 3}};
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double lattice[3][3] = {{4, 0, 0}, {0, 4, 0}, {0, 0, 3}};
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double position[][3] = {
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double position[][3] = {
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@ -0,0 +1,37 @@
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#include <stdio.h>
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void lagmat_multiply_matrix_vector_l3(long v[3], const long a[3][3],
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const long b[3]) {
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long i;
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long c[3];
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for (i = 0; i < 3; i++) {
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c[i] = a[i][0] * b[0] + a[i][1] * b[1] + a[i][2] * b[2];
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}
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for (i = 0; i < 3; i++) {
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v[i] = c[i];
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}
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}
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void lagmat_multiply_matrix_l3(long m[3][3], const long a[3][3],
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const long b[3][3]) {
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long i, j; /* a_ij */
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long c[3][3];
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for (i = 0; i < 3; i++) {
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for (j = 0; j < 3; j++) {
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c[i][j] = a[i][0] * b[0][j] + a[i][1] * b[1][j] + a[i][2] * b[2][j];
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}
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}
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lagmat_copy_matrix_l3(m, c);
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}
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void lagmat_copy_matrix_l3(long a[3][3], const long b[3][3]) {
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a[0][0] = b[0][0];
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a[0][1] = b[0][1];
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a[0][2] = b[0][2];
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a[1][0] = b[1][0];
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a[1][1] = b[1][1];
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a[1][2] = b[1][2];
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a[2][0] = b[2][0];
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a[2][1] = b[2][1];
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a[2][2] = b[2][2];
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}
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@ -0,0 +1,10 @@
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#ifndef __test_utils_H__
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#define __test_utils_H__
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void lagmat_multiply_matrix_vector_l3(long v[3], const long a[3][3],
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const long b[3]);
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void lagmat_multiply_matrix_l3(long m[3][3], const long a[3][3],
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const long b[3][3]);
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void lagmat_copy_matrix_l3(long a[3][3], const long b[3][3]);
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#endif // __test_utils_H__
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