Merge pull request #28792 from mantidproject/28788_instrument_view_negative_values

Instrument view handle invalid values better

docs/source/release/v5.1.0/mantidworkbench.rst

@@ -43,6 +43,8 @@ Improvements
 - We have neatened up the the slice viewer user interface, to reduce the amount of wasted space and devote more to the data view itself.
 - Surface plots no longer spill over the axes when their limits are reduced.
 - The instrument view now ignores non-finite (infinity and NaN) values and should now display workspaces containing those values.
+  If there are no valid values for that detector the value will appear as invalid (grayed out).
+  It can also now display negative values in workspaces correctly.
 - The gray and plasma colormaps have been added to the instrument view.
 - Slow running algorithms will now display an estimated time to completion in their progress bars.
 - The x-axis tick labels on colorfill plots are now horizontal.
@@ -67,7 +69,7 @@ Bugfixes
 - Fixed the default axis scale settings applying to the wrong axis.
 - Performing an overplot by dragging workspaces onto colorfill plots now correctly replaces the workspace.
 - Removed gridlines from the colorbar on colorfill plots.
-- The Instrument View now passes through useful error messages to the workbench if it fails to start, for example if your data contains NaN or infinite values.
+- The Instrument View now passes through useful error messages to the workbench if it fails to start.
 - The correct interpolation now appears in the plot figure options for colorfill plots.
 - Changing the axis scale on a colourfill plot now has the same result if it is done from either the context menu or figure options.
 - `plt.show()` now shows the most recently created figure.

qt/widgets/instrumentview/inc/MantidQtWidgets/InstrumentView/InstrumentActor.h

@@ -18,6 +18,7 @@
 
 #include <QObject>
 
+#include <limits>
 #include <memory>
 #include <vector>
 
@@ -57,7 +58,10 @@ class EXPORT_OPT_MANTIDQT_INSTRUMENTVIEW InstrumentActor : public QObject {
   Q_OBJECT
 public:
   /// Invalid workspace index in detector index to workspace index lookup
-  static const size_t INVALID_INDEX;
+  static constexpr size_t INVALID_INDEX = std::numeric_limits<size_t>::max();
+  /// Value that indicates this pixel data is invalid
+  static constexpr double INVALID_VALUE = -std::numeric_limits<double>::max();
+
   /// Constructor
   InstrumentActor(const QString &wsName, bool autoscaling = true,
                   double scaleMin = 0.0, double scaleMax = 0.0);
@@ -214,6 +218,8 @@ signals:
   void colorMapChanged() const;
 
 private:
+  static constexpr double TOLERANCE = 0.00001;
+
   void setUpWorkspace(const std::shared_ptr<const Mantid::API::MatrixWorkspace>
                           &sharedWorkspace,
                       double scaleMin, double scaleMax);
@@ -273,9 +279,6 @@ private:
   /// Colors in order of component info
   std::vector<size_t> m_monitors;
   std::vector<size_t> m_components;
-
-  static double m_tolerance;
-
   std::vector<bool> m_isCompVisible;
   std::vector<size_t> m_detIndex2WsIndex;
 

qt/widgets/instrumentview/src/InstrumentActor.cpp

@@ -36,7 +36,6 @@
 #include <QMessageBox>
 #include <QSettings>
 
-#include <limits>
 #include <numeric>
 #include <utility>
 
@@ -57,10 +56,6 @@ bool isPhysicalView() {
 
 } // namespace
 
-const size_t InstrumentActor::INVALID_INDEX =
-    std::numeric_limits<size_t>::max();
-double InstrumentActor::m_tolerance = 0.00001;
-
 /**
  * Constructor. Creates a tree of GLActors. Each actor is responsible for
  * displaying insrument components in 3D.
@@ -436,7 +431,7 @@ void InstrumentActor::setIntegrationRange(const double &xmin,
 double InstrumentActor::getIntegratedCounts(size_t index) const {
   auto i = getWorkspaceIndex(index);
   if (i == INVALID_INDEX)
-    return -1.0;
+    return InstrumentActor::INVALID_VALUE;
   return m_specIntegrs.at(i);
 }
 
@@ -850,21 +845,21 @@ void InstrumentActor::BasisRotation(const Mantid::Kernel::V3D &Xfrom,
   //  std::cerr<<"To   "<<Xto<<Yto<<Zto<<'\n';
 
   double sZ = Zfrom.scalar_prod(Zto);
-  if (fabs(sZ - 1) < m_tolerance) // vectors the same
+  if (fabs(sZ - 1) < TOLERANCE) // vectors the same
   {
     double sX = Xfrom.scalar_prod(Xto);
-    if (fabs(sX - 1) < m_tolerance) {
+    if (fabs(sX - 1) < TOLERANCE) {
       R = Mantid::Kernel::Quat();
-    } else if (fabs(sX + 1) < m_tolerance) {
+    } else if (fabs(sX + 1) < TOLERANCE) {
       R = Mantid::Kernel::Quat(180, Zfrom);
     } else {
       R = Mantid::Kernel::Quat(Xfrom, Xto);
     }
-  } else if (fabs(sZ + 1) < m_tolerance) // rotated by 180 degrees
+  } else if (fabs(sZ + 1) < TOLERANCE) // rotated by 180 degrees
   {
-    if (fabs(Xfrom.scalar_prod(Xto) - 1) < m_tolerance) {
+    if (fabs(Xfrom.scalar_prod(Xto) - 1) < TOLERANCE) {
       R = Mantid::Kernel::Quat(180., Xfrom);
-    } else if (fabs(Yfrom.scalar_prod(Yto) - 1) < m_tolerance) {
+    } else if (fabs(Yfrom.scalar_prod(Yto) - 1) < TOLERANCE) {
       R = Mantid::Kernel::Quat(180., Yfrom);
     } else {
       R = Mantid::Kernel::Quat(180., Xto) * Mantid::Kernel::Quat(Xfrom, Xto);
@@ -876,15 +871,15 @@ void InstrumentActor::BasisRotation(const Mantid::Kernel::V3D &Xfrom,
     const auto X1 = normalize(Zfrom.cross_prod(Zto));
 
     double sX = Xfrom.scalar_prod(Xto);
-    if (fabs(sX - 1) < m_tolerance) {
+    if (fabs(sX - 1) < TOLERANCE) {
       R = Mantid::Kernel::Quat(Zfrom, Zto);
       return;
     }
 
     sX = Xfrom.scalar_prod(X1);
-    if (fabs(sX - 1) < m_tolerance) {
+    if (fabs(sX - 1) < TOLERANCE) {
       R1 = Mantid::Kernel::Quat();
-    } else if (fabs(sX + 1) < m_tolerance) // 180 degree rotation
+    } else if (fabs(sX + 1) < TOLERANCE) // 180 degree rotation
     {
       R1 = Mantid::Kernel::Quat(180., Zfrom);
     } else {
@@ -901,9 +896,9 @@ void InstrumentActor::BasisRotation(const Mantid::Kernel::V3D &Xfrom,
     // Rotation R3 around ZZ by gamma
     Mantid::Kernel::Quat R3;
     sX = Xto.scalar_prod(X1);
-    if (fabs(sX - 1) < m_tolerance) {
+    if (fabs(sX - 1) < TOLERANCE) {
       R3 = Mantid::Kernel::Quat();
-    } else if (fabs(sX + 1) < m_tolerance) // 180 degree rotation
+    } else if (fabs(sX + 1) < TOLERANCE) // 180 degree rotation
     {
       R3 = Mantid::Kernel::Quat(180., Zto);
     } else {
@@ -1017,6 +1012,11 @@ void InstrumentActor::calculateIntegratedSpectra(
   // Use the workspace function to get the integrated spectra
   workspace.getIntegratedSpectra(m_specIntegrs, m_BinMinValue, m_BinMaxValue,
                                  wholeRange());
+  // replace any values that are not finite
+  std::replace_if(m_specIntegrs.begin(), m_specIntegrs.end(),
+                  [](double x) { return !std::isfinite(x); },
+                  InstrumentActor::INVALID_VALUE);
+
   m_maskBinsData.subtractIntegratedSpectra(workspace, m_specIntegrs);
 }
 
@@ -1050,17 +1050,9 @@ void InstrumentActor::setDataIntegrationRange(const double &xmin,
     m_DataMinValue = DBL_MAX;
     m_DataMaxValue = -DBL_MAX;
 
-    if (std::any_of(m_specIntegrs.begin(), m_specIntegrs.end(),
-                    [](double val) { return !std::isfinite(val); }))
-      throw std::runtime_error(
-          "The workspace contains values that cannot be displayed (infinite "
-          "or NaN).\n"
-          "Please run ReplaceSpecialValues algorithm for correction.");
-
     const auto &spectrumInfo = workspace->spectrumInfo();
 
     // Ignore monitors if multiple detectors aren't grouped.
-    // PARALLEL_FOR_NO_WSP_CHECK()
     for (size_t i = 0; i < m_specIntegrs.size(); i++) {
       const auto &spectrumDefinition = spectrumInfo.spectrumDefinition(i);
       if (spectrumDefinition.size() == 1 &&
@@ -1070,6 +1062,8 @@ void InstrumentActor::setDataIntegrationRange(const double &xmin,
 
       auto sum = m_specIntegrs[i];
 
+      if (sum == InstrumentActor::INVALID_VALUE)
+        continue;
       if (sum < m_DataMinValue)
         m_DataMinValue = sum;
       if (sum > m_DataMaxValue)

qt/widgets/instrumentview/src/InstrumentRenderer.cpp

@@ -366,13 +366,14 @@ void InstrumentRenderer::resetColors() {
   for (size_t det = 0; det < counts.size(); ++det) {
     if (!isMasked(det)) {
       const double integratedValue(counts[det]);
-      if (integratedValue > -1) {
+      if (integratedValue == InstrumentActor::INVALID_VALUE) {
+        m_colors[det] = invalidColor;
+      } else {
         const auto &color = rgba[det];
         m_colors[det] =
             GLColor(qRed(color), qGreen(color), qBlue(color),
                     static_cast<int>(255 * (integratedValue / vmax)));
-      } else
-        m_colors[det] = invalidColor;
+      }
     } else {
       m_colors[det] = maskedColor;
     }

qt/widgets/instrumentview/src/InstrumentWidgetPickTab.cpp

@@ -933,8 +933,9 @@ QString ComponentInfoController::displayDetectorInfo(size_t index) {
             QString::fromStdString(componentInfo.name(index)) + '\n';
 
     const double integrated = actor.getIntegratedCounts(index);
-    const QString counts =
-        integrated == -1.0 ? "N/A" : QString::number(integrated);
+    const QString counts = integrated == InstrumentActor::INVALID_VALUE
+                               ? "N/A"
+                               : QString::number(integrated);
     text += "Counts: " + counts + '\n';
     // display info about peak overlays
     text += actor.getParameterInfo(index);