Add Laue experiment type (#733)

* Add Laue experiment type

newsfragments/733.misc

@@ -0,0 +1 @@
+Add Laue experiment type.

src/dxtbx/model/__init__.py

@@ -615,6 +615,10 @@ def all_tof(self):
         """Check if all the experiments are time-of-flight"""
         return all(exp.get_type() == ExperimentType.TOF for exp in self)
 
+    def all_laue(self):
+        """Check if all the experiments are Laue experiments"""
+        return all(exp.get_type() == ExperimentType.LAUE for exp in self)
+
     def to_dict(self):
         """Serialize the experiment list to dictionary."""
 

src/dxtbx/model/boost_python/experiment.cc

@@ -77,7 +77,8 @@ namespace dxtbx { namespace model { namespace boost_python {
     enum_<ExperimentType>("ExperimentType")
       .value("STILL", STILL)
       .value("ROTATION", ROTATION)
-      .value("TOF", TOF);
+      .value("TOF", TOF)
+      .value("LAUE", LAUE);
 
     class_<Experiment>("Experiment")
       .def(init<std::shared_ptr<BeamBase>,

src/dxtbx/model/experiment.h

@@ -28,7 +28,7 @@
 
 namespace dxtbx { namespace model {
 
-  enum ExperimentType { ROTATION = 1, STILL = 2, TOF = 3 };
+  enum ExperimentType { ROTATION = 1, STILL = 2, TOF = 3, LAUE = 4 };
 
   /**
    * A class to represent what's in an experiment.
@@ -156,6 +156,15 @@ namespace dxtbx { namespace model {
       if (scan_ && scan_->contains("time_of_flight")) {
         return TOF;
       }
+
+      if (beam_) {
+        dxtbx::model::BeamBase &beam_base_ref = *beam_;
+        PolychromaticBeam *beam = dynamic_cast<PolychromaticBeam *>(&beam_base_ref);
+        if (beam != nullptr) {
+          return LAUE;
+        }
+      }
+
       if (!goniometer_ || !scan_ || scan_->is_still()) {
         return STILL;
       } else {

tests/model/test_experiment_list.py

@@ -17,6 +17,7 @@
 from dxtbx.imageset import ImageSetFactory
 from dxtbx.model import (
     Beam,
+    BeamFactory,
     Crystal,
     Detector,
     Experiment,
@@ -26,6 +27,11 @@
     Scan,
     ScanFactory,
 )
+
+try:
+    from ..dxtbx_model_ext import Probe
+except ModuleNotFoundError:
+    from dxtbx_model_ext import Probe  # type: ignore
 from dxtbx.model.experiment_list import ExperimentListDict, ExperimentListFactory
 
 
@@ -786,10 +792,22 @@ def test_experiment_type():
     # Specifically test the bug from dxtbx#4 triggered by ending on 0°
     experiment.scan = Scan((1, 1800), (-90, 0.05))
     assert experiment.get_type() == ExperimentType.ROTATION
+
+    experiment.beam = BeamFactory.make_polychromatic_beam(
+        direction=(0, 0, -1),
+        sample_to_source_distance=(100),
+        probe=Probe.xray,
+        wavelength_range=(1, 10),
+    )
+
+    assert experiment.get_type() == ExperimentType.LAUE
+
     experiment.scan = ScanFactory.make_scan_from_properties(
         (1, 10), properties={"time_of_flight": list(range(10))}
     )
     assert experiment.get_type() == ExperimentType.TOF
+
+    experiment.beam = Beam()
     experiment.scan = ScanFactory.make_scan_from_properties(
         (1, 10), properties={"other_property": list(range(10))}
     )
@@ -1184,3 +1202,73 @@ def test_from_templates(dials_data):
     assert len(expts) == 1
     assert expts[0].imageset.get_template() == str(template)
     assert len(expts[0].imageset) == 45
+
+
+def test_experiment_list_all():
+    experiments = ExperimentList()
+    for i in range(3):
+        experiments.append(Experiment())
+
+    assert experiments.all_stills()
+    experiments[0].goniometer = Goniometer()
+    assert experiments.all_stills()
+    experiments[1].goniometer = Goniometer()
+    experiments[2].goniometer = Goniometer()
+    assert experiments.all_stills()
+
+    experiments[0].beam = BeamFactory.make_polychromatic_beam(
+        direction=(0, 0, -1),
+        sample_to_source_distance=(100),
+        probe=Probe.xray,
+        wavelength_range=(1, 10),
+    )
+    assert not experiments.all_stills()
+    experiments[1].beam = BeamFactory.make_polychromatic_beam(
+        direction=(0, 0, -1),
+        sample_to_source_distance=(100),
+        probe=Probe.xray,
+        wavelength_range=(1, 10),
+    )
+    experiments[2].beam = BeamFactory.make_polychromatic_beam(
+        direction=(0, 0, -1),
+        sample_to_source_distance=(100),
+        probe=Probe.xray,
+        wavelength_range=(1, 10),
+    )
+    assert experiments.all_laue()
+
+    experiments[0].beam = Beam()
+    assert not experiments.all_laue()
+    experiments[1].beam = Beam()
+    experiments[2].beam = Beam()
+    assert experiments.all_stills()
+
+    experiments[0].scan = Scan((1, 1000), (0, 0.05))
+    assert not experiments.all_stills()
+    experiments[1].scan = Scan((1, 1000), (0, 0.05))
+    experiments[2].scan = Scan((1, 1000), (0, 0.05))
+    assert experiments.all_rotations()
+
+    experiments[0].scan = ScanFactory.make_scan_from_properties(
+        (1, 10), properties={"time_of_flight": list(range(10))}
+    )
+    assert not experiments.all_rotations()
+    experiments[1].scan = ScanFactory.make_scan_from_properties(
+        (1, 10), properties={"time_of_flight": list(range(10))}
+    )
+    experiments[2].scan = ScanFactory.make_scan_from_properties(
+        (1, 10), properties={"time_of_flight": list(range(10))}
+    )
+    assert experiments.all_tof()
+
+    experiments[0].scan = ScanFactory.make_scan_from_properties(
+        (1, 10), properties={"other_property": list(range(10))}
+    )
+    assert not experiments.all_tof()
+    experiments[1].scan = ScanFactory.make_scan_from_properties(
+        (1, 10), properties={"other_property": list(range(10))}
+    )
+    experiments[2].scan = ScanFactory.make_scan_from_properties(
+        (1, 10), properties={"other_property": list(range(10))}
+    )
+    assert experiments.all_stills()