#include "symmetry.h" #include int main(int argc, char* argv[]) { int i, j; for (i = 1; i < argc; ++i) { char buffer[32]; const geSpaceGroup* sg = ge_find_spacegroup_by_name(argv[i]); if (sg) { geGroupOps* ops = geSpaceGroup_operations(sg); int n = geGroupOps_order(ops); geSpaceGroup_short_name(sg, buffer); printf("space group %d %s or %s order: %d\n", geSpaceGroup_number(sg), geSpaceGroup_hm(sg), buffer, n); for (j = 0; j < n; ++j) { geOp* op = geGroupOps_get_op(ops, j); geOp_triplet(op, buffer); geOp_free(op); printf(" %s\n", buffer); } geGroupOps_free(ops); } else { printf("%s: not found\n", argv[i]); } } }