refs #11056. Add regression test.

Prove that this doesn't work yet.

Code/Mantid/Framework/DataObjects/test/PeakTest.h

@@ -5,6 +5,11 @@
 #include "MockObjects.h"
 #include "MantidKernel/Timer.h"
 #include "MantidKernel/System.h"
+#include "MantidKernel/UnitFactory.h"
+#include "MantidKernel/Unit.h"
+#include "MantidKernel/V3D.h"
+#include "MantidKernel/PhysicalConstants.h"
+#include "MantidGeometry/Instrument/ReferenceFrame.h"
 #include <iostream>
 #include <iomanip>
 #include <gmock/gmock.h>
@@ -18,12 +23,25 @@ using namespace Mantid::Kernel;
 
 class PeakTest : public CxxTest::TestSuite
 {
+private:
+    /// Common instrument
+    Instrument_sptr inst;
+    Instrument_sptr m_minimalInstrument;
 public:
-  /// Common instrument
-  Instrument_sptr inst;
-  void setUp()
+
+
+  // This pair of boilerplate methods prevent the suite being created statically
+  // This means the constructor isn't called when running other tests
+  static PeakTest *createSuite() {
+    return new PeakTest();
+  }
+  static void destroySuite(PeakTest *suite) { delete suite; }
+
+
+  // Constructor
+  PeakTest() : inst(ComponentCreationHelper::createTestInstrumentRectangular(5, 100))
   {
-    inst = ComponentCreationHelper::createTestInstrumentRectangular(5, 100);
+
   }
 
   void test_constructor()
@@ -261,6 +279,7 @@ public:
   /** Compare two peaks, but not the detector IDs etc. */
   void comparePeaks(Peak & p1, Peak & p2)
   {
+    // TODO. Peak should implement bool operator==(const Peak&) and that should be tested, rather than having external functionality here.
     TS_ASSERT_EQUALS( p1.getQLabFrame(), p2.getQLabFrame() );
     TS_ASSERT_EQUALS( p1.getQSampleFrame(), p2.getQSampleFrame() );
     TS_ASSERT_EQUALS( p1.getDetPos(), p2.getDetPos() );
@@ -290,6 +309,60 @@ public:
     TS_ASSERT_EQUALS( p2.getDetectorID(), -1);
   }
 
+  void test_setQLabFrame2()
+  {
+
+      // Create fictional instrument
+      const V3D source(0,0,0);
+      const V3D sample(15, 0, 0);
+      const V3D detectorPos(20, 5, 0);
+      const V3D beam1 = sample - source;
+      const V3D beam2 = detectorPos - sample;
+      auto minimalInstrument = ComponentCreationHelper::createMinimalInstrument( source, sample, detectorPos );
+
+      // Calculate energy of neutron based on velocity
+      const double velocity = 1.1 * 10e3; // m/sec
+      double efixed = 0.5 * Mantid::PhysicalConstants::NeutronMass * velocity * velocity  ; // In Joules
+      efixed = efixed / Mantid::PhysicalConstants::meV;
+
+      // Derive distances and angles
+      const double l1 = beam1.norm();
+      const double l2 = beam2.norm();
+      const double scatteringAngle2 = beam2.angle(beam1);
+      const V3D qLabDir = beam1 - beam2;
+
+      // Derive the wavelength
+      std::vector<double> x;
+      const double microSecsInSec = 1e6;
+      x.push_back( ( (l1 + l2) / velocity ) * microSecsInSec ); // Make a TOF
+      std::vector<double> y;
+      Unit_sptr unitOfLambda = UnitFactory::Instance().create("Wavelength");
+      unitOfLambda->fromTOF(x, y, l1, l2, scatteringAngle2, 0, efixed, 0);
+
+      // Derive QLab for diffraction
+      const double wavenumber_in_angstrom_times_tof_in_microsec =
+          (Mantid::PhysicalConstants::NeutronMass * (l1 + l2) * 1e-10 * microSecsInSec) /
+           Mantid::PhysicalConstants::h_bar;
+
+      V3D qLab = qLabDir * wavenumber_in_angstrom_times_tof_in_microsec;
+
+
+      //Peak peak(minimalInstrument, 1 /* detector id */, x[0] /*wavelength*/);
+
+
+
+      Peak peak; // Everything will be default
+      peak.setInstrument(minimalInstrument); // Can't do anything without the instrument
+      peak.setQLabFrame(qLab);
+      auto detector = peak.getDetector();
+
+      TS_ASSERT_EQUALS(1, detector->getID());
+      TS_ASSERT_EQUALS(detectorPos, detector->getPos())
+
+      // Test that wavelengths aggree firstly.
+      //TS_ASSERT_EQUALS(x[0], peak.getWavelength());
+  }
+
   /** Create peaks using Q in sample frame + a goniometer rotation matrix*/
   void test_setQSampleFrame()
   {

Code/Mantid/Framework/TestHelpers/inc/MantidTestHelpers/ComponentCreationHelper.h

@@ -150,6 +150,9 @@ createTestInstrumentRectangular(int num_banks, int pixels,
 Mantid::Geometry::Instrument_sptr
 createTestInstrumentRectangular2(int num_banks, int pixels,
                                  double pixelSpacing = 0.008);
+
+/// Creates a mimimal valid virtual instrument.
+Mantid::Geometry::Instrument_sptr createMinimalInstrument(const Mantid::Kernel::V3D& sourcePos, const Mantid::Kernel::V3D& samplePos, const Mantid::Kernel::V3D& detectorPos );
 }
 
 #endif // COMPONENTCREATIONHELPERS_H_

Code/Mantid/Framework/TestHelpers/src/ComponentCreationHelper.cpp

@@ -20,9 +20,11 @@
 #include "MantidGeometry/Instrument/DetectorGroup.h"
 #include "MantidGeometry/Instrument/Detector.h"
 #include "MantidGeometry/Instrument/RectangularDetector.h"
+#include "MantidGeometry/Instrument/ReferenceFrame.h"
 
 #include <Poco/Path.h>
 #include <boost/shared_array.hpp>
+#include <boost/make_shared.hpp>
 #include "MantidGeometry/IDetector.h"
 
 using namespace Mantid::Geometry;
@@ -559,4 +561,42 @@ Instrument_sptr createTestInstrumentRectangular2(int num_banks, int pixels,
 
   return testInst;
 }
+
+/**
+ * createOneDetectorInstrument, creates the most simple possible definition of an instrument in which we can extract a valid L1 and L2 distance for unit calculations.
+ *
+ * Beam direction is along X,
+ * Up direction is Y
+ *
+ * @param sourcePos : V3D position
+ * @param samplePos : V3D sample position
+ * @param detectorPos : V3D detector position
+ * @return Instrument generated.
+ */
+Instrument_sptr createMinimalInstrument(const V3D& sourcePos, const V3D& samplePos, const V3D& detectorPos )
+{
+    Instrument_sptr instrument = boost::make_shared<Instrument>();
+    instrument->setReferenceFrame(
+        boost::make_shared<ReferenceFrame>(Mantid::Geometry::Y /*up*/, Mantid::Geometry::X /*along*/, Left, "0,0,0"));
+
+    // A source
+    ObjComponent *source = new ObjComponent("source");
+    source->setPos(sourcePos);
+    instrument->add(source);
+    instrument->markAsSource(source);
+
+    // A sample
+    ObjComponent *sample = new ObjComponent("some-surface-holder");
+    source->setPos(samplePos);
+    instrument->add(sample);
+    instrument->markAsSamplePos(sample);
+
+    // A detector
+    Detector *det = new Detector("point-detector", 1 /*detector id*/, NULL);
+    det->setPos(detectorPos);
+    instrument->add(det);
+    instrument->markAsDetector(det);
+
+    return instrument;
+}
 }