Merge pull request #40 from toastisme/tof_mtz

Enabled export mtz for tof data.

src/dials/command_line/export.py

@@ -333,7 +333,7 @@ def export_mtz(params, experiments, reflections):
 
  _check_input(experiments, reflections)
 
- from dials.util.export_mtz import export_mtz
+ from dials.util.export_mtz import export_mtz, export_mtz_tof
 
  # Handle case where user has passed data before integration
  if (
@@ -359,21 +359,37 @@ def export_mtz(params, experiments, reflections):
  "Data appears to be unscaled, setting mtz.hklout = 'integrated.mtz'"
  )
 
- m = export_mtz(
- reflection_table,
- experiments,
- intensity_choice=params.intensity,
- filename=filename,
- best_unit_cell=params.mtz.best_unit_cell,
- partiality_threshold=params.mtz.partiality_threshold,
- combine_partials=params.mtz.combine_partials,
- min_isigi=params.mtz.min_isigi,
- filter_ice_rings=params.mtz.filter_ice_rings,
- d_min=params.mtz.d_min,
- force_static_model=params.mtz.force_static_model,
- crystal_name=params.mtz.crystal_name,
- project_name=params.mtz.project_name,
- )
+ if experiments.all_tof_experiments():
+ m = export_mtz_tof(
+ reflection_table,
+ experiments,
+ intensity_choice=params.intensity,
+ filename=filename,
+ best_unit_cell=params.mtz.best_unit_cell,
+ partiality_threshold=params.mtz.partiality_threshold,
+ combine_partials=params.mtz.combine_partials,
+ min_isigi=params.mtz.min_isigi,
+ filter_ice_rings=params.mtz.filter_ice_rings,
+ d_min=params.mtz.d_min,
+ crystal_name=params.mtz.crystal_name,
+ project_name=params.mtz.project_name,
+ )
+ else:
+ m = export_mtz(
+ reflection_table,
+ experiments,
+ intensity_choice=params.intensity,
+ filename=filename,
+ best_unit_cell=params.mtz.best_unit_cell,
+ partiality_threshold=params.mtz.partiality_threshold,
+ combine_partials=params.mtz.combine_partials,
+ min_isigi=params.mtz.min_isigi,
+ filter_ice_rings=params.mtz.filter_ice_rings,
+ d_min=params.mtz.d_min,
+ force_static_model=params.mtz.force_static_model,
+ crystal_name=params.mtz.crystal_name,
+ project_name=params.mtz.project_name,
+ )
 
  summary = StringIO()
  m.show_summary(out=summary)