Refs #11534 Initial checks for Qresolution

mantidproject · Jul 28, 2015 · b1f26b4 · b1f26b4
1 parent 69189bd
commit b1f26b4
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Showing 3 changed files with 33 additions and 3 deletions.
diff --git a/Code/Mantid/Framework/Algorithms/inc/MantidAlgorithms/Qhelper.h b/Code/Mantid/Framework/Algorithms/inc/MantidAlgorithms/Qhelper.h
@@ -39,7 +39,8 @@ class Qhelper {
 public:
   void examineInput(API::MatrixWorkspace_const_sptr dataWS,
                     API::MatrixWorkspace_const_sptr binAdj,
-                    API::MatrixWorkspace_const_sptr detectAdj);
+                    API::MatrixWorkspace_const_sptr detectAdj,
+                    API::MatrixWorkspace_const_sptr qResolution);
 
   size_t waveLengthCutOff(API::MatrixWorkspace_const_sptr dataWS,
                           const double RCut, const double WCut,

diff --git a/Code/Mantid/Framework/Algorithms/src/Q1D2.cpp b/Code/Mantid/Framework/Algorithms/src/Q1D2.cpp
@@ -86,6 +86,11 @@ void Q1D2::init() {
   declareProperty(
       "ExtraLength", 0.0, mustBePositive,
       "Additional length for gravity correction.");
+
+  declareProperty(
+      new WorkspaceProperty<>("QResolution", "", Direction::Input,
+                              PropertyMode::Optional, dataVal),
+      "Workspace to calculate the Q resolution.\n");
 }
 /**
   @ throw invalid_argument if the workspaces are not mututially compatible
@@ -95,12 +100,14 @@ void Q1D2::exec() {
   MatrixWorkspace_const_sptr waveAdj = getProperty("WavelengthAdj");
   MatrixWorkspace_const_sptr pixelAdj = getProperty("PixelAdj");
   MatrixWorkspace_const_sptr wavePixelAdj = getProperty("WavePixelAdj");
+  MatrixWorkspace_const_sptr qResolution = getProperty("QResolution");
+
   const bool doGravity = getProperty("AccountForGravity");
   m_doSolidAngle = getProperty("SolidAngleWeighting");
 
   // throws if we don't have common binning or another incompatibility
   Qhelper helper;
-  helper.examineInput(m_dataWS, waveAdj, pixelAdj);
+  helper.examineInput(m_dataWS, waveAdj, pixelAdj, qResolution);
   // FIXME: how to examine the wavePixelAdj?
   g_log.debug() << "All input workspaces were found to be valid\n";
   // normalization as a function of wavelength (i.e. centers of x-value bins)

diff --git a/Code/Mantid/Framework/Algorithms/src/Qhelper.cpp b/Code/Mantid/Framework/Algorithms/src/Qhelper.cpp
@@ -24,11 +24,13 @@ using namespace Geometry;
   @param detectAdj (PixelAdj) passing NULL for this wont raise an error, if set
   it will be checked this workspace has as many histograms as dataWS each with
   one bin
+  @param qResolution: the QResolution workspace
   @throw invalid_argument if the workspaces are not mututially compatible
 */
 void Qhelper::examineInput(API::MatrixWorkspace_const_sptr dataWS,
                            API::MatrixWorkspace_const_sptr binAdj,
-                           API::MatrixWorkspace_const_sptr detectAdj) {
+                           API::MatrixWorkspace_const_sptr detectAdj,
+                           API::MatrixWorkspace_const_sptr qResolution) {
   if (dataWS->getNumberHistograms() < 1) {
     throw std::invalid_argument(
         "Empty data workspace passed, can not continue");
@@ -101,6 +103,26 @@ void Qhelper::examineInput(API::MatrixWorkspace_const_sptr dataWS,
       }
     }
   }
+
+  // Check the compatibility of the QResolution workspace
+  if (qResolution) {
+    // We require the same number of histograms
+    if (detectAdj->getNumberHistograms() != dataWS->getNumberHistograms()) {
+      throw std::invalid_argument("The QResolution should have one spectrum"
+                                   "per spectrum of the input workspace");
+    }
+
+    // We require the same binning for the input workspace and the q resolution
+    // workspace
+    MantidVec::const_iterator reqX = dataWS->readX(0).begin();
+    MantidVec::const_iterator qResX = qResolution->readX(0).begin();
+    for (; reqX != dataWS->readX(0).end(); ++reqX, ++qResX) {
+      if (*reqX != *qResX) {
+        throw std::invalid_argument("The QResolution needs to have the same binning as"
+                                    "as the input workspace.");
+      }
+    }
+  }
 }
 
 /** Finds the first index number of the first wavelength bin that should