diff options
Diffstat (limited to 'libcrystfel/src/crystfel-mille.c')
| -rw-r--r-- | libcrystfel/src/crystfel-mille.c | 131 |
1 files changed, 58 insertions, 73 deletions
diff --git a/libcrystfel/src/crystfel-mille.c b/libcrystfel/src/crystfel-mille.c index 8c9029fc..20bd44b6 100644 --- a/libcrystfel/src/crystfel-mille.c +++ b/libcrystfel/src/crystfel-mille.c @@ -40,20 +40,6 @@ #include <mille_c_wrap.h> -static const enum gparam rv[] = -{ - GPARAM_ASX, - GPARAM_ASY, - GPARAM_ASZ, - GPARAM_BSX, - GPARAM_BSY, - GPARAM_BSZ, - GPARAM_CSX, - GPARAM_CSY, - GPARAM_CSZ, -}; - - int mille_label(int group_serial, enum gparam param) { switch ( param ) { @@ -74,95 +60,94 @@ void write_mille(Mille *mille, int n, UnitCell *cell, { int i; + /* Local parameters */ + const enum gparam rvl[] = + { + GPARAM_ASX, + GPARAM_ASY, + GPARAM_ASZ, + GPARAM_BSX, + GPARAM_BSY, + GPARAM_BSZ, + GPARAM_CSX, + GPARAM_CSY, + GPARAM_CSZ, + }; + const int nl = 9; + + /* Global parameters */ + const enum gparam rvg[] = + { + GPARAM_DET_TX, + GPARAM_DET_TY, + GPARAM_DET_TZ, + GPARAM_DET_RX, + GPARAM_DET_RY, + GPARAM_DET_RZ, + }; + const int ng = 6; + const int max_hierarchy_levels = 8; + for ( i=0; i<n; i++ ) { - float local_gradients_fs[9]; - float local_gradients_ss[9]; - float global_gradients_fs[64]; - float global_gradients_ss[64]; - int labels[64]; - int j; + float local_gradients_fs[nl]; + float local_gradients_ss[nl]; + float global_gradients_fs[ng*max_hierarchy_levels]; + float global_gradients_ss[ng*max_hierarchy_levels]; + int labels[ng*max_hierarchy_levels]; + int j, levels; const struct detgeom_panel_group *group; /* Local gradients */ - for ( j=0; j<9; j++ ) { - fs_ss_gradient(rv[j], rps[i].refl, cell, + for ( j=0; j<nl; j++ ) { + fs_ss_gradient(rvl[j], rps[i].refl, cell, &image->detgeom->panels[rps[i].peak->pn], Minvs[rps[i].peak->pn], 0, 0, 0, &local_gradients_fs[j], &local_gradients_ss[j]); } - /* Global gradients (for each group, at least level of hierarchy) */ + /* Global gradients for each hierarchy level, starting at the + * individual panel and working up to the top level */ j = 0; + levels = 0; group = image->detgeom->panels[rps[i].peak->pn].group; while ( group != NULL ) { double cx, cy, cz; + int g; detgeom_group_center(group, &cx, &cy, &cz); - fs_ss_gradient(GPARAM_DET_TX, rps[i].refl, cell, - &image->detgeom->panels[rps[i].peak->pn], - Minvs[rps[i].peak->pn], 0, 0, 0, - &global_gradients_fs[j], - &global_gradients_ss[j]); - labels[j] = mille_label(group->serial, GPARAM_DET_TX); - j++; - - fs_ss_gradient(GPARAM_DET_TY, rps[i].refl, cell, - &image->detgeom->panels[rps[i].peak->pn], - Minvs[rps[i].peak->pn], 0, 0, 0, - &global_gradients_fs[j], - &global_gradients_ss[j]); - labels[j] = mille_label(group->serial, GPARAM_DET_TY); - j++; - - fs_ss_gradient(GPARAM_DET_TZ, rps[i].refl, cell, - &image->detgeom->panels[rps[i].peak->pn], - Minvs[rps[i].peak->pn], 0, 0, 0, - &global_gradients_fs[j], - &global_gradients_ss[j]); - labels[j] = mille_label(group->serial, GPARAM_DET_TZ); - j++; - - fs_ss_gradient(GPARAM_DET_RX, rps[i].refl, cell, - &image->detgeom->panels[rps[i].peak->pn], - Minvs[rps[i].peak->pn], cx, cy, cz, - &global_gradients_fs[j], - &global_gradients_ss[j]); - labels[j] = mille_label(group->serial, GPARAM_DET_RX); - j++; - - fs_ss_gradient(GPARAM_DET_RY, rps[i].refl, cell, - &image->detgeom->panels[rps[i].peak->pn], - Minvs[rps[i].peak->pn], cx, cy, cz, - &global_gradients_fs[j], - &global_gradients_ss[j]); - labels[j] = mille_label(group->serial, GPARAM_DET_RY); - j++; - - fs_ss_gradient(GPARAM_DET_RZ, rps[i].refl, cell, - &image->detgeom->panels[rps[i].peak->pn], - Minvs[rps[i].peak->pn], cx, cy, cz, - &global_gradients_fs[j], - &global_gradients_ss[j]); - labels[j] = mille_label(group->serial, GPARAM_DET_RZ); - j++; - + for ( g=0; g<ng; g++ ) { + fs_ss_gradient(rvg[g], rps[i].refl, cell, + &image->detgeom->panels[rps[i].peak->pn], + Minvs[rps[i].peak->pn], 0, 0, 0, + &global_gradients_fs[j], + &global_gradients_ss[j]); + labels[j] = mille_label(group->serial, rvg[g]); + j++; + } + + levels++; group = group->parent; + + if ( levels >= max_hierarchy_levels ) { + ERROR("Too many nested hierarchy levels for refinement.\n"); + break; + } } /* Add fs measurement */ mille_add_measurement(mille, - 9, local_gradients_fs, + nl, local_gradients_fs, j, global_gradients_fs, labels, fs_dev(&rps[i], image->detgeom), 0.65*image->detgeom->panels[rps[i].peak->pn].pixel_pitch); /* Add ss measurement */ mille_add_measurement(mille, - 9, local_gradients_ss, + nl, local_gradients_ss, j, global_gradients_ss, labels, ss_dev(&rps[i], image->detgeom), 0.65*image->detgeom->panels[rps[i].peak->pn].pixel_pitch); |