Change return value to NaN for things we can't calculate

Framework/DataObjects/src/LeanPeak.cpp

@@ -177,9 +177,7 @@ void LeanPeak::setDetectorID([[maybe_unused]] int id) {
 
 //----------------------------------------------------------------------------------------------
 /** Get the ID of the detector at the center of the peak  */
-int LeanPeak::getDetectorID() const {
-  throw std::runtime_error("LeanPeak::getDetectorID(): Has no detector ID");
-}
+int LeanPeak::getDetectorID() const { return -1; }
 
 //----------------------------------------------------------------------------------------------
 /** Set the instrument (and save the source/sample pos).
@@ -224,25 +222,25 @@ double LeanPeak::getWavelength() const {
 /** Calculate the time of flight (in microseconds) of the neutrons for this
  * peak,
  * using the geometry of the detector  */
-double LeanPeak::getTOF() const { throw std::runtime_error("not implemented"); }
+double LeanPeak::getTOF() const {
+  return std::numeric_limits<double>::quiet_NaN();
+}
 
 // -------------------------------------------------------------------------------------
 /** Calculate the scattering angle of the peak  */
 double LeanPeak::getScattering() const {
-  throw std::runtime_error("not implemented");
+  return asin(getWavelength() / (2 * getDSpacing())) * 2;
 }
 
 // -------------------------------------------------------------------------------------
 /** Calculate the azimuthal angle of the peak  */
 double LeanPeak::getAzimuthal() const {
-  throw std::runtime_error("not implemented");
+  return std::numeric_limits<double>::quiet_NaN();
 }
 
 // -------------------------------------------------------------------------------------
 /** Calculate the d-spacing of the peak, in 1/Angstroms  */
-double LeanPeak::getDSpacing() const {
-  throw std::runtime_error("not implemented");
-}
+double LeanPeak::getDSpacing() const { return 2 * M_PI / m_Qsample.norm(); }
 
 //----------------------------------------------------------------------------------------------
 /** Return the Q change (of the lattice, k_i - k_f) for this peak.
@@ -548,11 +546,15 @@ Mantid::Kernel::V3D LeanPeak::getSamplePos() const {
 
 // -------------------------------------------------------------------------------------
 /** Return the L1 flight path length (source to sample), in meters. */
-double LeanPeak::getL1() const { throw std::runtime_error("not implemented"); }
+double LeanPeak::getL1() const {
+  return std::numeric_limits<double>::quiet_NaN();
+}
 
 // -------------------------------------------------------------------------------------
 /** Return the L2 flight path length (sample to detector), in meters. */
-double LeanPeak::getL2() const { throw std::runtime_error("not implemented"); }
+double LeanPeak::getL2() const {
+  return std::numeric_limits<double>::quiet_NaN();
+}
 
 // -------------------------------------------------------------------------------------
 /** Helper function for displaying/sorting peaks

Framework/DataObjects/test/LeanPeakTest.h

@@ -33,19 +33,19 @@ public:
     TS_ASSERT_EQUALS(p.getQSampleFrame(), V3D(0, 0, 0))
     TS_ASSERT_EQUALS(p.getQLabFrame(), V3D())
 
-    TS_ASSERT_THROWS(p.getDetectorID(), const std::runtime_error &)
+    TS_ASSERT_EQUALS(p.getDetectorID(), -1)
     TS_ASSERT_THROWS(p.getDetector(), const std::runtime_error &)
     TS_ASSERT_THROWS(p.getInstrument(), const std::runtime_error &)
     TS_ASSERT_THROWS(p.findDetector(), const std::runtime_error &)
     TS_ASSERT_THROWS(p.getDetectorPosition(), const std::runtime_error &)
     TS_ASSERT_THROWS(p.getDetectorPositionNoCheck(), const std::runtime_error &)
-    TS_ASSERT_THROWS(p.getScattering(), const std::runtime_error &)
-    TS_ASSERT_THROWS(p.getAzimuthal(), const std::runtime_error &)
-    TS_ASSERT_THROWS(p.getTOF(), const std::runtime_error &)
     TS_ASSERT_THROWS(p.getDetPos(), const std::runtime_error &)
     TS_ASSERT_THROWS(p.getSamplePos(), const std::runtime_error &)
-    TS_ASSERT_THROWS(p.getL1(), const std::runtime_error &)
-    TS_ASSERT_THROWS(p.getL2(), const std::runtime_error &)
+    TS_ASSERT(std::isnan(p.getTOF()))
+    TS_ASSERT(std::isnan(p.getScattering()))
+    TS_ASSERT(std::isnan(p.getAzimuthal()))
+    TS_ASSERT(std::isnan(p.getL1()))
+    TS_ASSERT(std::isnan(p.getL2()))
   }
 
   void test_Qsample_constructor() {
@@ -90,6 +90,8 @@ public:
     TS_ASSERT_DELTA(p.getInitialEnergy(), 81.8042024359, 1e-5)
     TS_ASSERT_DELTA(p.getFinalEnergy(), 81.8042024359, 1e-5)
     TS_ASSERT_DELTA(p.getWavelength(), 1., 1e-9)
+    TS_ASSERT_DELTA(p.getDSpacing(), 1.679251908362714, 1e-9)
+    TS_ASSERT_DELTA(p.getScattering(), 0.6046731932, 1e-9)
   }
 
   void test_Qsample_gon_wavelength_constructor() {
@@ -108,4 +110,19 @@ public:
     TS_ASSERT_DELTA(p.getFinalEnergy(), 81.8042024359, 1e-5)
     TS_ASSERT_DELTA(p.getWavelength(), 1., 1e-9)
   }
+
+  void test_copyConstructor() {
+    // This goniometer should just swap x and y of q
+    Mantid::Kernel::Matrix<double> gon(3, 3);
+    gon[0][1] = 1;
+    gon[1][0] = 1;
+    gon[2][2] = 1;
+
+    LeanPeak p(V3D(1, 2, 3), gon, 1.);
+    // Default (not-explicit) copy constructor
+    LeanPeak p2(p);
+    TS_ASSERT_EQUALS(p.getQSampleFrame(), p2.getQSampleFrame());
+    TS_ASSERT_EQUALS(p.getQLabFrame(), p2.getQLabFrame());
+    TS_ASSERT_EQUALS(p.getGoniometerMatrix(), p2.getGoniometerMatrix());
+  }
 };