Add experiment type (cctbx#702)

* Added ExperimentType to Experiment, accessed via get_type().

newsfragments/702.misc

@@ -0,0 +1 @@
+Add `Experiment.get_type()` to replace `Experiment.is_still()/Experiment.is_sequence()`

src/dxtbx/dxtbx_model_ext.pyi

@@ -23,6 +23,7 @@ from scitbx.array_family import shared as flex_shared
 from scitbx.array_family.flex import FlexPlain
 
 from dxtbx_model_ext import Probe  # type: ignore
+from dxtbx_model_ext import ExperimentType
 
 # TypeVar for the set of Experiment models that can be joint-accepted
 # - profile, imageset and scalingmodel are handled as 'object'
@@ -354,6 +355,7 @@ class Experiment:
     def is_sequence(self) -> bool: ...
     def is_still(self) -> bool: ...
     def __contains__(self, obj: TExperimentModel) -> bool: ...
+    def get_type(self) -> ExperimentType: ...
 
 class ExperimentList:
     @overload

src/dxtbx/model/__init__.py

@@ -33,6 +33,7 @@
         DetectorNode,
         Experiment,
         ExperimentList,
+        ExperimentType,
         Goniometer,
         GoniometerBase,
         KappaDirection,
@@ -69,6 +70,7 @@
         DetectorNode,
         Experiment,
         ExperimentList,
+        ExperimentType,
         Goniometer,
         GoniometerBase,
         KappaDirection,
@@ -599,11 +601,19 @@ def imagesets(self):
 
     def all_stills(self):
         """Check if all the experiments are stills"""
-        return all(exp.is_still() for exp in self)
+        return all(exp.get_type() == ExperimentType.STILL for exp in self)
 
     def all_sequences(self):
         """Check if all the experiments are from sequences"""
-        return all(exp.is_sequence() for exp in self)
+        return self.all_rotations()
+
+    def all_rotations(self):
+        """Check if all the experiments are stills"""
+        return all(exp.get_type() == ExperimentType.ROTATION for exp in self)
+
+    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 to_dict(self):
         """Serialize the experiment list to dictionary."""

src/dxtbx/model/boost_python/experiment.cc

@@ -74,6 +74,11 @@ namespace dxtbx { namespace model { namespace boost_python {
   };
 
   void export_experiment() {
+    enum_<ExperimentType>("ExperimentType")
+      .value("STILL", STILL)
+      .value("ROTATION", ROTATION)
+      .value("TOF", TOF);
+
     class_<Experiment>("Experiment")
       .def(init<std::shared_ptr<BeamBase>,
                 std::shared_ptr<Detector>,
@@ -118,6 +123,7 @@ namespace dxtbx { namespace model { namespace boost_python {
       .def("is_sequence",
            &Experiment::is_sequence,
            "Check if this experiment represents swept rotation image(s)")
+      .def("get_type", &Experiment::get_type)
       .def_pickle(ExperimentPickleSuite());
   }
 

src/dxtbx/model/experiment.h

@@ -28,6 +28,8 @@
 
 namespace dxtbx { namespace model {
 
+  enum ExperimentType { ROTATION = 1, STILL = 2, TOF = 3 };
+
   /**
    * A class to represent what's in an experiment.
    *
@@ -128,9 +130,6 @@ namespace dxtbx { namespace model {
       return profile_ == obj || imageset_ == obj || scaling_model_ == obj;
     }
 
-    /**
-     * Compare this experiment with another
-     */
     bool operator==(const Experiment &other) const {
       return imageset_ == other.imageset_ && beam_ == other.beam_
              && detector_ == other.detector_ && goniometer_ == other.goniometer_
@@ -139,18 +138,11 @@ namespace dxtbx { namespace model {
              && identifier_ == other.identifier_;
     }
 
-    /**
-     * Check that the experiment is consistent
-     */
-    bool is_consistent() const {
-      return true;  // FIXME
-    }
-
     /**
      * Check if this experiment represents a still image
      */
     bool is_still() const {
-      return !goniometer_ || !scan_ || scan_->is_still();
+      return get_type() == STILL;
     }
 
     /**
@@ -160,128 +152,89 @@ namespace dxtbx { namespace model {
       return !is_still();
     }
 
-    /**
-     * Set the beam model
-     */
+    ExperimentType get_type() const {
+      if (scan_ && scan_->contains("time_of_flight")) {
+        return TOF;
+      }
+      if (!goniometer_ || !scan_ || scan_->is_still()) {
+        return STILL;
+      } else {
+        return ROTATION;
+      }
+    }
+
+    bool is_consistent() const {
+      return true;  // FIXME
+    }
+
     void set_beam(std::shared_ptr<BeamBase> beam) {
       beam_ = beam;
     }
 
-    /**
-     * Get the beam model
-     */
     std::shared_ptr<BeamBase> get_beam() const {
       return beam_;
     }
 
-    /**
-     * Get the detector model
-     */
     void set_detector(std::shared_ptr<Detector> detector) {
       detector_ = detector;
     }
 
-    /**
-     * Get the detector model
-     */
     std::shared_ptr<Detector> get_detector() const {
       return detector_;
     }
 
-    /**
-     * Get the goniometer model
-     */
     void set_goniometer(std::shared_ptr<Goniometer> goniometer) {
       goniometer_ = goniometer;
     }
 
-    /**
-     * Get the goniometer model
-     */
     std::shared_ptr<Goniometer> get_goniometer() const {
       return goniometer_;
     }
 
-    /**
-     * Get the scan model
-     */
     void set_scan(std::shared_ptr<Scan> scan) {
       scan_ = scan;
     }
 
-    /**
-     * Get the scan model
-     */
     std::shared_ptr<Scan> get_scan() const {
       return scan_;
     }
 
-    /**
-     * Get the crystal model
-     */
     void set_crystal(std::shared_ptr<CrystalBase> crystal) {
       crystal_ = crystal;
     }
 
-    /**
-     * Get the crystal model
-     */
     std::shared_ptr<CrystalBase> get_crystal() const {
       return crystal_;
     }
 
-    /**
-     * Get the profile model
-     */
     void set_profile(boost::python::object profile) {
       profile_ = profile;
     }
 
-    /**
-     * Get the profile model
-     */
     boost::python::object get_profile() const {
       return profile_;
     }
 
-    /**
-     * Get the imageset model
-     */
     void set_imageset(boost::python::object imageset) {
       imageset_ = imageset;
     }
 
-    /**
-     * Get the imageset model
-     */
     boost::python::object get_imageset() const {
       return imageset_;
     }
 
-    /**
-     * Set the scaling model
-     */
     void set_scaling_model(boost::python::object scaling_model) {
       scaling_model_ = scaling_model;
     }
 
-    /**
-     * Get the scaling model
-     */
     boost::python::object get_scaling_model() const {
       return scaling_model_;
     }
 
-    /**
-     * Set the identifier
-     */
     void set_identifier(std::string identifier) {
       identifier_ = identifier;
     }
 
-    /**
-     * Get the identifier
-     */
     std::string get_identifier() const {
       return identifier_;
     }

tests/model/test_experiment_list.py

@@ -21,6 +21,7 @@
     Detector,
     Experiment,
     ExperimentList,
+    ExperimentType,
     Goniometer,
     Scan,
     ScanFactory,
@@ -773,26 +774,26 @@ def test_partial_missing_model_serialization():
     check(elist, elist_)
 
 
-def test_experiment_is_still():
+def test_experiment_type():
     experiment = Experiment()
-    assert experiment.is_still()
+    assert experiment.get_type() == ExperimentType.STILL
     experiment.goniometer = Goniometer()
-    assert experiment.is_still()
+    assert experiment.get_type() == ExperimentType.STILL
     experiment.scan = Scan()
-    assert experiment.is_still()
+    assert experiment.get_type() == ExperimentType.STILL
     experiment.scan = Scan((1, 1000), (0, 0.05))
-    assert not experiment.is_still()
+    assert experiment.get_type() == ExperimentType.ROTATION
     # Specifically test the bug from dxtbx#4 triggered by ending on 0°
     experiment.scan = Scan((1, 1800), (-90, 0.05))
-    assert not experiment.is_still()
+    assert experiment.get_type() == ExperimentType.ROTATION
     experiment.scan = ScanFactory.make_scan_from_properties(
         (1, 10), properties={"time_of_flight": list(range(10))}
     )
-    assert not experiment.is_still()
+    assert experiment.get_type() == ExperimentType.TOF
     experiment.scan = ScanFactory.make_scan_from_properties(
         (1, 10), properties={"other_property": list(range(10))}
     )
-    assert experiment.is_still()
+    assert experiment.get_type() == ExperimentType.STILL
 
 
 def check(el1, el2):