static Centering get_centering(double correction_mat[3][3], SPGCONST int transform_mat[3][3], const Laue laue) { int det; double trans_corr_mat[3][3]; Centering centering; mat_copy_matrix_d3(correction_mat, identity); det = abs(mat_get_determinant_i3(transform_mat)); debug_print("laue class: %d\n", laue); debug_print("multiplicity: %d\n", det); if (det == 1) { centering = NO_CENTER; } if (det == 2) { centering = get_base_center(transform_mat); if (centering == A_FACE) { if (laue == LAUE2M) { debug_print("Monocli A to C\n"); mat_copy_matrix_d3(correction_mat, monocli_a2c); } else { mat_copy_matrix_d3(correction_mat, a2c); } centering = C_FACE; } if (centering == B_FACE) { mat_copy_matrix_d3(correction_mat, b2c); centering = C_FACE; } if (laue == LAUE2M && centering == BODY) { debug_print("Monocli I to C\n"); mat_copy_matrix_d3(correction_mat, monocli_i2c); centering = C_FACE; } } if (det == 3) { centering = NO_CENTER; mat_multiply_matrix_id3(trans_corr_mat, transform_mat, rhombo_obverse); if (mat_is_int_matrix(trans_corr_mat, INT_PREC)) { mat_copy_matrix_d3(correction_mat, rhombo_obverse); debug_print("R-center observe setting\n"); debug_print_matrix_d3(trans_corr_mat); } mat_multiply_matrix_id3(trans_corr_mat, transform_mat, rhomb_reverse); if (mat_is_int_matrix(trans_corr_mat, INT_PREC)) { mat_copy_matrix_d3(correction_mat, rhomb_reverse); debug_print("R-center reverse setting\n"); debug_print_matrix_d3(trans_corr_mat); } } if (det == 4) { centering = FACE; } return centering; }
/* Return CENTERING_ERROR if failed */ static Centering get_centering(double correction_mat[3][3], SPGCONST int transform_mat[3][3], const Laue laue) { int det; double trans_corr_mat[3][3]; Centering centering; mat_copy_matrix_d3(correction_mat, identity); det = abs(mat_get_determinant_i3(transform_mat)); debug_print("laue class: %d\n", laue); debug_print("multiplicity: %d\n", det); switch (det) { case 1: centering = PRIMITIVE; break; case 2: centering = get_base_center(transform_mat); if (centering == A_FACE) { if (laue == LAUE2M) { debug_print("Monocli A to C\n"); mat_copy_matrix_d3(correction_mat, monocli_a2c); } else { mat_copy_matrix_d3(correction_mat, a2c); } centering = C_FACE; } if (centering == B_FACE) { mat_copy_matrix_d3(correction_mat, b2c); centering = C_FACE; } if (laue == LAUE2M && centering == BODY) { debug_print("Monocli I to C\n"); mat_copy_matrix_d3(correction_mat, monocli_i2c); centering = C_FACE; } break; case 3: /* hP (a=b) but not hR (a=b=c) */ centering = R_CENTER; mat_multiply_matrix_id3(trans_corr_mat, transform_mat, rhombo_obverse); if (mat_is_int_matrix(trans_corr_mat, INT_PREC)) { mat_copy_matrix_d3(correction_mat, rhombo_obverse); debug_print("R-center observe setting\n"); debug_print_matrix_d3(trans_corr_mat); } mat_multiply_matrix_id3(trans_corr_mat, transform_mat, rhomb_reverse); if (mat_is_int_matrix(trans_corr_mat, INT_PREC)) { mat_copy_matrix_d3(correction_mat, rhomb_reverse); debug_print("R-center reverse setting\n"); debug_print_matrix_d3(trans_corr_mat); } break; case 4: centering = FACE; break; default: centering = CENTERING_ERROR; break; } return centering; }