diff options
| author | Thomas White <taw@physics.org> | 2023-06-20 13:16:35 +0200 |
|---|---|---|
| committer | Thomas White <taw@physics.org> | 2023-07-28 13:22:05 +0200 |
| commit | 505a385d5d58373ef0627b8944bb78d17e347c8a (patch) | |
| tree | 31894323b9b382b98bb0e8b111debf4cf923abb2 /libcrystfel/src/crystfel-mille.c | |
| parent | 463fcdb3279302a4d726389cafc20f1b7a8cc64a (diff) | |
Trim the list of geometric parameters
Diffstat (limited to 'libcrystfel/src/crystfel-mille.c')
| -rw-r--r-- | libcrystfel/src/crystfel-mille.c | 28 |
1 files changed, 14 insertions, 14 deletions
diff --git a/libcrystfel/src/crystfel-mille.c b/libcrystfel/src/crystfel-mille.c index a16ade52..d4c75ef0 100644 --- a/libcrystfel/src/crystfel-mille.c +++ b/libcrystfel/src/crystfel-mille.c @@ -62,12 +62,12 @@ int mille_label(int hierarchy_level, int member_index, enum gparam param) label = 100000*hierarchy_level + 100*member_index; switch ( param ) { - case GPARAM_DETX : return label+1; /* x-shift */ - case GPARAM_DETY : return label+2; /* y-shift */ - case GPARAM_CLEN : return label+3; /* z-shift */ - case GPARAM_ROTX : return label+4; /* Rotation around x */ - case GPARAM_ROTY : return label+5; /* Rotation around y */ - case GPARAM_ROTZ : return label+6; /* Rotation around z */ + case GPARAM_DET_TX : return label+1; /* x-shift */ + case GPARAM_DET_TY : return label+2; /* y-shift */ + case GPARAM_DET_TZ : return label+3; /* z-shift */ + case GPARAM_DET_RX : return label+4; /* Rotation around x */ + case GPARAM_DET_RY : return label+5; /* Rotation around y */ + case GPARAM_DET_RZ : return label+6; /* Rotation around z */ default : abort(); } } @@ -111,15 +111,15 @@ void write_mille(Mille *mille, int n, UnitCell *cell, while ( group != NULL ) { global_gradients[j] = -1.0; - labels[j] = mille_label(group->hierarchy_level, group->member_index, GPARAM_DETX); + labels[j] = mille_label(group->hierarchy_level, group->member_index, GPARAM_DET_TX); j++; global_gradients[j] = -xl / (kpred+zl); - labels[j] = mille_label(group->hierarchy_level, group->member_index, GPARAM_CLEN); + labels[j] = mille_label(group->hierarchy_level, group->member_index, GPARAM_DET_TZ); j++; - global_gradients[j] = -(ypk - group->cy); - labels[j] = mille_label(group->hierarchy_level, group->member_index, GPARAM_ROTZ); + global_gradients[j] = 0.0; + labels[j] = mille_label(group->hierarchy_level, group->member_index, GPARAM_DET_RZ); j++; group = group->parent; @@ -143,15 +143,15 @@ void write_mille(Mille *mille, int n, UnitCell *cell, while ( group != NULL ) { global_gradients[j] = -1.0; - labels[j] = mille_label(group->hierarchy_level, group->member_index, GPARAM_DETY); + labels[j] = mille_label(group->hierarchy_level, group->member_index, GPARAM_DET_TY); j++; global_gradients[j] = -yl / (kpred+zl); - labels[j] = mille_label(group->hierarchy_level, group->member_index, GPARAM_CLEN); + labels[j] = mille_label(group->hierarchy_level, group->member_index, GPARAM_DET_TZ); j++; - global_gradients[j] = xpk - group->cx; - labels[j] = mille_label(group->hierarchy_level, group->member_index, GPARAM_ROTZ); + global_gradients[j] = 0.0; + labels[j] = mille_label(group->hierarchy_level, group->member_index, GPARAM_DET_RZ); j++; group = group->parent; |