fix table column for vectors

mantidproject · Oct 11, 2024 · ccf0586 · ccf0586
1 parent 734a62f
commit ccf0586
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Showing 3 changed files with 20 additions and 20 deletions.
diff --git a/Framework/DataObjects/inc/MantidDataObjects/TableColumn.h b/Framework/DataObjects/inc/MantidDataObjects/TableColumn.h
@@ -299,13 +299,14 @@ inline bool TableColumn<API::Boolean>::compareVectors(const std::vector<API::Boo
 /// Template specialisation for V3D for comparison
 template <>
 inline bool TableColumn<Kernel::V3D>::compareVectors(const std::vector<Kernel::V3D> &newVector, double tolerance,
-                                                     bool const) const {
+                                                     bool const nanEqual) const {
   for (size_t i = 0; i < m_data.size(); i++) {
-    double dif_x = fabs(m_data[i].X() - newVector[i].X());
-    double dif_y = fabs(m_data[i].Y() - newVector[i].Y());
-    double dif_z = fabs(m_data[i].Z() - newVector[i].Z());
-    if (dif_x > tolerance || dif_y > tolerance || dif_z > tolerance) {
-      return false;
+    for (std::size_t xyz = 0; xyz < m_data[i].size(); xyz++) {
+      double left = m_data[i][xyz], right = newVector[i][xyz];
+      if (nanEqual && std::isnan(left) && isnan(right))
+        continue;
+      else if (!Kernel::withinAbsoluteDifference(left, right, tolerance))
+        return false;
     }
   }
   return true;
@@ -328,22 +329,14 @@ inline bool TableColumn<API::Boolean>::compareVectorsRelError(const std::vector<
 /// Template specialisation for V3D for comparison
 template <>
 inline bool TableColumn<Kernel::V3D>::compareVectorsRelError(const std::vector<Kernel::V3D> &newVector,
-                                                             double tolerance, bool const) const {
+                                                             double tolerance, bool const nanEqual) const {
   for (size_t i = 0; i < m_data.size(); i++) {
-    double dif_x = fabs(m_data[i].X() - newVector[i].X());
-    double dif_y = fabs(m_data[i].Y() - newVector[i].Y());
-    double dif_z = fabs(m_data[i].Z() - newVector[i].Z());
-    double den_x = 0.5 * (fabs(m_data[i].X()) + fabs(newVector[i].X()));
-    double den_y = 0.5 * (fabs(m_data[i].X()) + fabs(newVector[i].X()));
-    double den_z = 0.5 * (fabs(m_data[i].X()) + fabs(newVector[i].X()));
-    if (den_x > tolerance || den_y > tolerance || den_z > tolerance) {
-      if (dif_x / den_x > tolerance || dif_y / den_y > tolerance || dif_z / den_z > tolerance) {
-        return false;
-      }
-    } else {
-      if (dif_x > tolerance || dif_y > tolerance || dif_z > tolerance) {
+    for (std::size_t xyz = 0; xyz < m_data[i].size(); xyz++) {
+      double left = m_data[i][xyz], right = newVector[i][xyz];
+      if (nanEqual && std::isnan(left) && isnan(right))
+        continue;
+      else if (!Kernel::withinRelativeDifference(m_data[i][xyz], newVector[i][xyz], tolerance))
         return false;
-      }
     }
   }
   return true;

diff --git a/Framework/Kernel/inc/MantidKernel/V3D.h b/Framework/Kernel/inc/MantidKernel/V3D.h
@@ -42,6 +42,12 @@ class MANTID_KERNEL_DLL V3D final {
   // explicit conversion into vector
   operator std::vector<double>() const { return std::vector<double>(m_pt.cbegin(), m_pt.cend()); }
 
+  /**
+    Number of components in V3D
+     @return 3
+  */
+  std::size_t size() const noexcept { return m_pt.size(); }
+
   /**
     Addtion operator
      @param v :: Vector to add

diff --git a/Framework/Kernel/test/V3DTest.h b/Framework/Kernel/test/V3DTest.h
@@ -23,6 +23,7 @@ class V3DTest : public CxxTest::TestSuite {
   Mantid::Kernel::V3D a, b, c, d;
 
 public:
+  void testSize() { TS_ASSERT_EQUALS(a.size(), 3); }
   void testEmptyConstructor() {
     // very important as a MD geometry rely on it later
     TS_ASSERT_EQUALS(a.X(), 0.0);