diff options
author | Helen Ginn <ginn@rescomp1.(none)> | 2017-01-17 15:28:26 +0000 |
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committer | Helen Ginn <ginn@rescomp1.(none)> | 2017-01-17 15:28:26 +0000 |
commit | 3e463696b41f01665535cd1a9740ca5e630a8e4f (patch) | |
tree | f8ebb8f2fc123f1868bc0cb3b20d0086e4070197 /libcrystfel | |
parent | 1db7d84152ecd8cea4922cabb9db725943f83151 (diff) |
Removed all debug messages, nice and clean.
Diffstat (limited to 'libcrystfel')
-rw-r--r-- | libcrystfel/src/cell-utils.c | 6 | ||||
-rw-r--r-- | libcrystfel/src/taketwo.c | 191 |
2 files changed, 72 insertions, 125 deletions
diff --git a/libcrystfel/src/cell-utils.c b/libcrystfel/src/cell-utils.c index 841d88f9..8fa3b894 100644 --- a/libcrystfel/src/cell-utils.c +++ b/libcrystfel/src/cell-utils.c @@ -1454,14 +1454,8 @@ UnitCell *transform_cell_gsl(UnitCell *in, gsl_matrix *m) gsl_matrix_set(c, 1, 2, csy); gsl_matrix_set(c, 2, 2, csz); - STATUS("---\n"); - show_matrix(m); - STATUS("\n"); - show_matrix(c); - STATUS("\n"); res = gsl_matrix_calloc(3, 3); gsl_blas_dgemm(CblasNoTrans, CblasNoTrans, 1.0, m, c, 0.0, res); - show_matrix(res); out = cell_new_from_cell(in); cell_set_reciprocal(out, gsl_matrix_get(res, 0, 0), diff --git a/libcrystfel/src/taketwo.c b/libcrystfel/src/taketwo.c index b5604d1a..b7f117ea 100644 --- a/libcrystfel/src/taketwo.c +++ b/libcrystfel/src/taketwo.c @@ -310,11 +310,9 @@ static int rot_mats_are_similar(gsl_matrix *rot1, gsl_matrix *rot2) tr = matrix_trace(mul); gsl_matrix_free(mul); - double max = sqrt(4.0*(1.0-cos(TRACE_TOLERANCE))); + double max = sqrt(4.0*(1.0-cos(TRACE_TOLERANCE))); - // STATUS("Trace is %.3f (max %.3f)\n", tr, max); - - return (tr < max); + return (tr < max); } @@ -456,30 +454,30 @@ static int obs_vecs_match_angles(struct SpotVec *her_obs, double angle_diff = fabs(theory_angle - obs_angle); - if ( angle_diff < ANGLE_TOLERANCE ) { - size_t new_size = (*match_count + 1) * - sizeof(int); - if (her_match_idxs && his_match_idxs) - { - /* Reallocate the array to fit in another match */ - int *temp_hers; - temp_hers = realloc(*her_match_idxs, new_size); - int *temp_his; - temp_his = realloc(*his_match_idxs, new_size); + if ( angle_diff < ANGLE_TOLERANCE ) { + size_t new_size = (*match_count + 1) * + sizeof(int); + if (her_match_idxs && his_match_idxs) + { + /* Reallocate the array to fit in another match */ + int *temp_hers; + temp_hers = realloc(*her_match_idxs, new_size); + int *temp_his; + temp_his = realloc(*his_match_idxs, new_size); - if ( temp_hers == NULL || temp_his == NULL ) { - apologise(); - } + if ( temp_hers == NULL || temp_his == NULL ) { + apologise(); + } - (*her_match_idxs) = temp_hers; - (*his_match_idxs) = temp_his; + (*her_match_idxs) = temp_hers; + (*his_match_idxs) = temp_his; - (*her_match_idxs)[*match_count] = i; - (*his_match_idxs)[*match_count] = j; - } + (*her_match_idxs)[*match_count] = i; + (*his_match_idxs)[*match_count] = j; + } - (*match_count)++; - } + (*match_count)++; + } } } @@ -503,16 +501,12 @@ static int obs_angles_match_array(struct SpotVec *obs_vecs, int test_idx, struct SpotVec *his_obs = &obs_vecs[obs_members[i]]; /* placeholders, but results are ignored */ - int match_count = 0; + int match_count = 0; /* check our test vector matches existing network member */ obs_vecs_match_angles(her_obs, his_obs, NULL, NULL, &match_count); - /* FIXME: this is going to be broken */ - // if (idx2 != match_members[i]) return 0; - //STATUS("match %i %i %i %i\n", idx1, idx2, test_idx, - // match_members[i]); } return 1; @@ -529,8 +523,7 @@ static signed int find_next_index(gsl_matrix *rot, struct SpotVec *obs_vecs, int *match_found) { int i; - // STATUS("Checking for next index from start=%i, max %i\n", start, obs_vec_count); - + for ( i=start; i<obs_vec_count; i++ ) { /* first we check for a shared spot - harshest condition */ @@ -561,8 +554,6 @@ static signed int find_next_index(gsl_matrix *rot, struct SpotVec *obs_vecs, obs_vecs_match_angles(&obs_vecs[obs_members[0]], &obs_vecs[i], &member_idx, &test_idx, &match_num); - // STATUS("There are %i matches for next obs vector %i\n", match_num, i) - /* if ok is set to 0, give up on this vector before * checking the next value of j */ int j; @@ -575,9 +566,6 @@ static signed int find_next_index(gsl_matrix *rot, struct SpotVec *obs_vecs, /* First observed vector and matching theoretical */ member_match = obs_vecs[idx0].matches[match_members[0]]; -// STATUS("]]]]] %i %i %i %i\n", -// idx0, i, match_members[0], test_idx); - /* Potential match with another vector */ struct rvec a_match = obs_vecs[i].matches[test_idx[j]]; @@ -624,70 +612,58 @@ static int grow_network(gsl_matrix *rot, struct SpotVec *obs_vecs, /* we can start from after the 2nd observed vector in the seed */ int start = obs_idx2 + 1; - STATUS("obs_vec_count = %i\n", obs_vec_count); - + while ( 1 ) { - if (start > obs_vec_count) { - STATUS("Reached end of observed vectors.\n"); - return -1; - } + if (start > obs_vec_count) { + return -1; + } - int match_found = -1; - - signed int next_index = find_next_index(rot, obs_vecs, - obs_vec_count, obs_members, - match_members, - start, member_num, - &match_found); - // STATUS("Next index is %i, match is %i\n", next_index, match_found); - - if ( member_num < 2 ) { - STATUS("giving up on seed..\n"); - return 0; - } + int match_found = -1; + + signed int next_index = find_next_index(rot, obs_vecs, + obs_vec_count, obs_members, + match_members, + start, member_num, + &match_found); - if ( next_index < 0 ) { - /* If there have been too many dead ends, give up - * on indexing altogether. - **/ - if ( dead_ends > MAX_DEAD_ENDS ) { - dead_ends = 0; - continue; - } + if ( member_num < 2 ) { + return 0; + } - /* We have not had too many dead ends. Try removing - the last member and continue. */ - start++; - member_num--; - dead_ends++; + if ( next_index < 0 ) { + /* If there have been too many dead ends, give up + * on indexing altogether. + **/ + if ( dead_ends > MAX_DEAD_ENDS ) { + dead_ends = 0; + continue; + } - continue; - } + /* We have not had too many dead ends. Try removing + the last member and continue. */ + start++; + member_num--; + dead_ends++; - /* we have elongated membership - so reset dead_ends counter */ - // dead_ends = 0; + continue; + } - obs_members[member_num] = next_index; - match_members[member_num] = match_found; + /* we have elongated membership - so reset dead_ends counter */ + // dead_ends = 0; - start = next_index + 1; - member_num++; - - if (member_num > *max_members) { - *max_members = member_num; - } - - STATUS("elongating seed, now %i members. They are: ", member_num); - int c; - for (c = 0; c < member_num; c++) { - STATUS("%i, ", obs_members[c]); - } + obs_members[member_num] = next_index; + match_members[member_num] = match_found; + + start = next_index + 1; + member_num++; - STATUS("\n"); - - /* If member_num is high enough, we want to return a yes */ - if ( member_num > NETWORK_MEMBER_THRESHOLD ) break; + if (member_num > *max_members) { + *max_members = member_num; + } + + /* If member_num is high enough, we want to return a yes */ + if ( member_num > NETWORK_MEMBER_THRESHOLD ) break; } /* Deal with this shit after coffee */ @@ -710,8 +686,7 @@ static int start_seed(struct SpotVec *obs_vecs, int obs_vec_count, int i, int j, int i_match, int j_match, gsl_matrix **rotation, int *max_members, int accept_anything) { - STATUS("starting new seed for obsvs %i and %i..\n", i, j); - gsl_matrix *rot_mat = gsl_matrix_calloc(3, 3); + gsl_matrix *rot_mat = gsl_matrix_calloc(3, 3); // FIXME: go through ALL matches, not jsut first rot_mat = generate_rot_mat(obs_vecs[i].obsvec, @@ -720,14 +695,7 @@ static int start_seed(struct SpotVec *obs_vecs, int obs_vec_count, int i, obs_vecs[j].matches[j_match]); /* Try to expand this rotation matrix to a larger network */ - STATUS("idx: %i %i %i %i spots %i %i and %i %i\n", - i_match, j_match, i, j, - spot_idx(obs_vecs[i].her_rlp), - spot_idx(obs_vecs[i].his_rlp), - spot_idx(obs_vecs[j].her_rlp), - spot_idx(obs_vecs[j].his_rlp)); - show_matrix(rot_mat); - + int success = grow_network(rot_mat, obs_vecs, obs_vec_count, i, j, i_match, j_match, max_members, accept_anything); @@ -762,8 +730,7 @@ static int find_seed(struct SpotVec *obs_vecs, int obs_vec_count, * by spot instead of by vector. */ int shared = obs_vecs_share_spot(&obs_vecs[i], &obs_vecs[j]); - //STATUS("checking %i %i\n", i, j); - + if ( !shared ) continue; /* cell vector "matches" index for i, j respectively */ @@ -775,8 +742,7 @@ static int find_seed(struct SpotVec *obs_vecs, int obs_vec_count, obs_vecs_match_angles(&obs_vecs[i], &obs_vecs[j], &i_idx, &j_idx, &matches); if ( matches == 0 ) continue; - STATUS("...ok, %i matches\n", matches); - + /* We have seeds! Pass each of them through the seed-starter */ /* If a seed has the highest achieved membership, make note...*/ int k; @@ -843,11 +809,6 @@ static int match_obs_to_cell_vecs(struct rvec *cell_vecs, int cell_vec_count, int count = 0; struct sortme *for_sort = NULL; - if ( (i==0) || (i==1) || (i==2) ) { - STATUS("length of %i = %f\n", i, - obs_vecs[i].distance/1e10); - } - for ( j=0; j<cell_vec_count; j++ ) { /* get distance for unit cell vector */ @@ -871,9 +832,6 @@ static int match_obs_to_cell_vecs(struct rvec *cell_vecs, int cell_vec_count, count++; } - if ( (i==0) || (i==1) || (i==2) ) { - STATUS("%i matches for %i\n", count, i); - } qsort(for_sort, count, sizeof(struct sortme), sort_func); obs_vecs[i].matches = malloc(count*sizeof(struct rvec)); obs_vecs[i].match_num = count; @@ -900,8 +858,7 @@ static int gen_observed_vecs(struct rvec *rlps, int rlp_count, for ( i=0; i<rlp_count-1; i++ ) { for ( j=i+1; j<rlp_count; j++ ) { - //STATUS("%i %i %i %i\n", i, j, rlp_count, count); - + /* calculate difference vector between rlps */ struct rvec diff = diff_vec(rlps[i], rlps[j]); @@ -909,7 +866,6 @@ static int gen_observed_vecs(struct rvec *rlps, int rlp_count, double sqlength = sq_length(diff); if ( sqlength > max_sq_length ) continue; -// STATUS("obs %i (spots %i and %i)", count, i, j); count++; @@ -1047,16 +1003,13 @@ static UnitCell *run_taketwo(UnitCell *cell, struct rvec *rlps, int rlp_count) success = gen_theoretical_vecs(cell, &cell_vecs, &cell_vec_count); if ( !success ) return NULL; - STATUS("cell_vec_count = %i\n", cell_vec_count); global_rlps = rlps; global_nrlps = rlp_count; success = gen_observed_vecs(rlps, rlp_count, &obs_vecs, &obs_vec_count); if ( !success ) return NULL; - STATUS("obs_vec_count = %i\n", obs_vec_count); - STATUS("rlp_count = %i\n", rlp_count); - + success = match_obs_to_cell_vecs(cell_vecs, cell_vec_count, obs_vecs, obs_vec_count); |