diff options
| author | Thomas White <taw@physics.org> | 2019-03-06 12:00:27 +0100 |
|---|---|---|
| committer | Thomas White <taw@physics.org> | 2019-03-11 16:49:37 +0100 |
| commit | f231e9e1a8293f103acffced3c295116e9f17a52 (patch) | |
| tree | dc4820949465f2bb566671c0707725d897a221ac | |
| parent | 4f11a9f8530178cfb510f11c7bc4b1829bbd0be4 (diff) | |
Tidy up cell comparison
| -rw-r--r-- | libcrystfel/src/cell-utils.c | 38 |
1 files changed, 14 insertions, 24 deletions
diff --git a/libcrystfel/src/cell-utils.c b/libcrystfel/src/cell-utils.c index 3a5ef782..7e622023 100644 --- a/libcrystfel/src/cell-utils.c +++ b/libcrystfel/src/cell-utils.c @@ -1972,11 +1972,9 @@ int compare_reindexed_cell_parameters(UnitCell *cell_in, UnitCell *reference_in, Rational *cand_b; Rational *cand_c; int ncand_a, ncand_b, ncand_c; - int i; int ia, ib; RationalMatrix *MCiA; RationalMatrix *CBMCiA; - int ret = 0; /* Actually compare against primitive version of reference */ reference = uncenter_cell(reference_in, &CBint, NULL); @@ -1999,25 +1997,6 @@ int compare_reindexed_cell_parameters(UnitCell *cell_in, UnitCell *reference_in, cand_b = find_candidates(b, av, bv, cv, ltl, &ncand_b); cand_c = find_candidates(c, av, bv, cv, ltl, &ncand_c); - STATUS("Candidates for a: %i\n", ncand_a); - for ( i=0; i<10; i++ ) { - STATUS("%s %s %s\n", rtnl_format(cand_a[3*i+0]), - rtnl_format(cand_a[3*i+1]), - rtnl_format(cand_a[3*i+2])); - } - STATUS("Candidates for b: %i\n", ncand_b); - for ( i=0; i<10; i++ ) { - STATUS("%s %s %s\n", rtnl_format(cand_b[3*i+0]), - rtnl_format(cand_b[3*i+1]), - rtnl_format(cand_b[3*i+2])); - } - STATUS("Candidates for c: %i\n", ncand_c); - for ( i=0; i<10; i++ ) { - STATUS("%s %s %s\n", rtnl_format(cand_c[3*i+0]), - rtnl_format(cand_c[3*i+1]), - rtnl_format(cand_c[3*i+2])); - } - m = rtnl_mtx_new(3, 3); MCiA = rtnl_mtx_new(3, 3); CBMCiA = rtnl_mtx_new(3, 3); @@ -2080,13 +2059,24 @@ int compare_reindexed_cell_parameters(UnitCell *cell_in, UnitCell *reference_in, rtnl_mtx_mtxmult(m, CiA, MCiA); rtnl_mtx_mtxmult(CB, MCiA, CBMCiA); *pmb = CBMCiA; - ret = 1; - cell_free(test); + rtnl_mtx_free(m); + rtnl_mtx_free(MCiA); + /* Not CBMCiA because we are returning it */ + free(cand_a); + free(cand_b); + free(cand_c); + return 1; } } } - return ret; + rtnl_mtx_free(m); + rtnl_mtx_free(MCiA); + rtnl_mtx_free(CBMCiA); + free(cand_a); + free(cand_b); + free(cand_c); + return 0; } |