Add an inverse power rebinning method

Allow the user to rebin with bins that becomes increasingly smaller.

Framework/Algorithms/inc/MantidAlgorithms/Rebin.h

@@ -56,6 +56,7 @@ public:
   const std::vector<std::string> seeAlso() const override {
     return {"RebinToWorkspace", "Rebin2D", "Rebunch", "Regroup", "RebinByPulseTimes", "RebinByTimeAtSample"};
   }
+  std::map<std::string, std::string> validateInputs() override;
 
   static std::vector<double> rebinParamsFromInput(const std::vector<double> &inParams,
                                                   const API::MatrixWorkspace &inputWS, Kernel::Logger &logger);

Framework/Algorithms/src/Rebin.cpp

@@ -78,6 +78,56 @@ std::vector<double> Rebin::rebinParamsFromInput(const std::vector<double> &inPar
 // Public methods
 //---------------------------------------------------------------------------------------------
 
+/// Validate that the input properties are sane.
+std::map<std::string, std::string> Rebin::validateInputs() {
+  std::map<std::string, std::string> helpMessages;
+  if (existsProperty("Power") && !isDefault("Power")) {
+    const double power = getProperty("Power");
+    if (power < 0) {
+      helpMessages["Power"] = "Power cannot be negative";
+      return helpMessages;
+    }
+    if (power > 1) {
+      helpMessages["Power"] = "Power cannot be more than one.";
+      return helpMessages;
+    }
+
+    // attempt to roughly guess how many bins these parameters imply
+    double roughEstimate = 0;
+
+    if (!isDefault("Params")) {
+      const std::vector<double> params = getProperty("Params");
+
+      // Five significant places of the Euler-Mascheroni constant is probably more than enough for our needs
+      double eulerMascheroni = 0.57721;
+
+      // Params is check by the validator first, so we can assume it is in a correct format
+      for (size_t i = 0; i < params.size() - 2; i += 2) {
+        double upperLimit = params[i + 2];
+        double lowerLimit = params[i];
+        double factor = params[i + 1];
+
+        if (factor <= 0) {
+          helpMessages["Params"] = "Provided width value cannot be negative for inverse power binning.";
+          return helpMessages;
+        }
+
+        if (power == 1) {
+          roughEstimate += std::exp((upperLimit - lowerLimit) / factor - eulerMascheroni);
+        } else {
+          roughEstimate += std::pow(((upperLimit - lowerLimit) / factor) * (1 - power) + 1, 1 / (1 - power));
+        }
+      }
+    }
+
+    // Prevent the user form creating too many bins
+    if (roughEstimate > 10000) {
+      helpMessages["Power"] = "This binning is expected to give more than 1000 bins.";
+    }
+  }
+  return helpMessages;
+}
+
 /** Initialisation method. Declares properties to be used in algorithm.
  *
  */
@@ -110,6 +160,9 @@ void Rebin::init() {
                   "For logarithmic intervals, the splitting starts from the end and go back to the start, ie the bins "
                   "are bigger at the start and exponentially reduces until they reach the end. For these bins, the "
                   "FullBinsOnly flag is ignored.");
+
+  declareProperty("Power", EMPTY_DBL(),
+                  "Splits the interval in bins whose width is width / (i ^ power). Power must be between 0 and 1.");
 }
 
 /** Executes the rebin algorithm
@@ -138,6 +191,7 @@ void Rebin::exec() {
 
   bool fullBinsOnly = getProperty("FullBinsOnly");
   bool useReverseLog = getProperty("UseReverseLogarithmic");
+  double power = getProperty("Power");
 
   double xmin = 0.;
   double xmax = 0.;
@@ -146,7 +200,7 @@ void Rebin::exec() {
   HistogramData::BinEdges XValues_new(0);
   // create new output X axis
   static_cast<void>(VectorHelper::createAxisFromRebinParams(rbParams, XValues_new.mutableRawData(), true, fullBinsOnly,
-                                                            xmin, xmax, useReverseLog));
+                                                            xmin, xmax, useReverseLog, power));
 
   // Now, determine if the input workspace is actually an EventWorkspace
   EventWorkspace_const_sptr eventInputWS = std::dynamic_pointer_cast<const EventWorkspace>(inputWS);

Framework/Algorithms/test/RebinTest.h

@@ -689,6 +689,93 @@ public:
     AnalysisDataService::Instance().remove("test_Rebin_revLog");
   }
 
+  void test_inversePowerSquareRoot() {
+    // Test InversePower in a simple case of square root sum
+    Workspace2D_sptr test_1D = Create1DWorkspace(51);
+    test_1D->setDistribution(false);
+    AnalysisDataService::Instance().add("test_Rebin_revLog", test_1D);
+
+    Rebin rebin;
+    rebin.initialize();
+    rebin.setPropertyValue("InputWorkspace", "test_Rebin_revLog");
+    rebin.setPropertyValue("OutputWorkspace", "test_Rebin_revLog");
+    rebin.setPropertyValue("Params", "1, 1, 10");
+    rebin.setPropertyValue("Power", "0.5");
+    TS_ASSERT_THROWS_NOTHING(rebin.execute());
+
+    MatrixWorkspace_sptr out = AnalysisDataService::Instance().retrieveWS<MatrixWorkspace>("test_Rebin_revLog");
+    auto &outX = out->x(0);
+
+    TS_ASSERT_EQUALS(outX.size(), 28);
+    TS_ASSERT_DELTA(outX[0], 1, 1e-5);
+    TS_ASSERT_DELTA(outX[1], 2, 1e-5);
+    TS_ASSERT_DELTA(outX[2], 2.707106781, 1e-5);
+    TS_ASSERT_DELTA(outX[3], 3.28445705, 1e-5);
+    TS_ASSERT_DELTA(outX[27], 10, 1e-5);
+
+    AnalysisDataService::Instance().remove("test_Rebin_revLog");
+  }
+
+  void test_inversePowerHarmonic() {
+    // Test InversePower in a simple case of harmonic serie
+    Workspace2D_sptr test_1D = Create1DWorkspace(51);
+    test_1D->setDistribution(false);
+    AnalysisDataService::Instance().add("test_Rebin_revLog", test_1D);
+
+    Rebin rebin;
+    rebin.initialize();
+    rebin.setPropertyValue("InputWorkspace", "test_Rebin_revLog");
+    rebin.setPropertyValue("OutputWorkspace", "test_Rebin_revLog");
+    rebin.setPropertyValue("Params", "1, 1, 5");
+    rebin.setPropertyValue("Power", "1");
+    TS_ASSERT_THROWS_NOTHING(rebin.execute());
+
+    MatrixWorkspace_sptr out = AnalysisDataService::Instance().retrieveWS<MatrixWorkspace>("test_Rebin_revLog");
+    auto &outX = out->x(0);
+
+    TS_ASSERT_EQUALS(outX.size(), 31);
+    TS_ASSERT_DELTA(outX[0], 1, 1e-5);
+    TS_ASSERT_DELTA(outX[1], 2, 1e-5);
+    TS_ASSERT_DELTA(outX[2], 2.5, 1e-5);
+    TS_ASSERT_DELTA(outX[3], 2.8333333, 1e-5);
+    TS_ASSERT_DELTA(outX[30], 5, 1e-5);
+
+    AnalysisDataService::Instance().remove("test_Rebin_revLog");
+  }
+
+  void test_inversePowerValidateHarmonic() {
+    // Test that the validator which forbid breating more than 10000 bins works in a harmonic series case
+    Workspace2D_sptr test_1D = Create1DWorkspace(51);
+    test_1D->setDistribution(false);
+    AnalysisDataService::Instance().add("test_Rebin_revLog", test_1D);
+
+    Rebin rebin;
+    rebin.initialize();
+    rebin.setPropertyValue("InputWorkspace", "test_Rebin_revLog");
+    rebin.setPropertyValue("OutputWorkspace", "test_Rebin_revLog");
+    rebin.setPropertyValue("Params", "1, 1, 100");
+    rebin.setPropertyValue("Power", "1");
+    TS_ASSERT_THROWS(rebin.execute(), const std::runtime_error &);
+    AnalysisDataService::Instance().remove("test_Rebin_revLog");
+  }
+
+  void test_inversePowerValidateInverseSquareRoot() {
+    // Test that the validator which forbid breating more than 10000 bins works in an inverse square root case
+    // We test both because they rely on different formula to compute the expected number of bins.
+    Workspace2D_sptr test_1D = Create1DWorkspace(51);
+    test_1D->setDistribution(false);
+    AnalysisDataService::Instance().add("test_Rebin_revLog", test_1D);
+
+    Rebin rebin;
+    rebin.initialize();
+    rebin.setPropertyValue("InputWorkspace", "test_Rebin_revLog");
+    rebin.setPropertyValue("OutputWorkspace", "test_Rebin_revLog");
+    rebin.setPropertyValue("Params", "1, 1, 1000");
+    rebin.setPropertyValue("Power", "0.5");
+    TS_ASSERT_THROWS(rebin.execute(), const std::runtime_error &);
+    AnalysisDataService::Instance().remove("test_Rebin_revLog");
+  }
+
   void test_parallel_cloned() { ParallelTestHelpers::runParallel(run_rebin, "Parallel::StorageMode::Cloned"); }
 
   void test_parallel_distributed() {

Framework/Kernel/inc/MantidKernel/VectorHelper.h

@@ -28,7 +28,7 @@ int MANTID_KERNEL_DLL createAxisFromRebinParams(const std::vector<double> &param
                                                 const bool resize_xnew = true, const bool full_bins_only = false,
                                                 const double xMinHint = std::nan(""),
                                                 const double xMaxHint = std::nan(""),
-                                                const bool useReverseLogarithmic = false);
+                                                const bool useReverseLogarithmic = false, const double power = -1);
 
 void MANTID_KERNEL_DLL rebin(const std::vector<double> &xold, const std::vector<double> &yold,
                              const std::vector<double> &eold, const std::vector<double> &xnew,

Framework/Kernel/src/VectorHelper.cpp

@@ -10,6 +10,7 @@
 #include "MantidKernel/VectorHelper.h"
 #include <algorithm>
 #include <boost/algorithm/string.hpp>
+#include <iostream>
 #include <numeric>
 #include <sstream>
 
@@ -34,7 +35,7 @@ namespace VectorHelper {
  **/
 int DLLExport createAxisFromRebinParams(const std::vector<double> &params, std::vector<double> &xnew,
                                         const bool resize_xnew, const bool full_bins_only, const double xMinHint,
-                                        const double xMaxHint, const bool useReverseLogarithmic) {
+                                        const double xMaxHint, const bool useReverseLogarithmic, const double power) {
   std::vector<double> tmp;
   const std::vector<double> &fullParams = [&params, &tmp, xMinHint, xMaxHint]() {
     if (params.size() == 1) {
@@ -70,6 +71,10 @@ int DLLExport createAxisFromRebinParams(const std::vector<double> &params, std::
   if (resize_xnew)
     xnew.emplace_back(xcurr);
 
+  int currDiv = 1;
+
+  bool isPower = power > 0 && power <= 1;
+
   while ((ibound <= ibounds) && (istep <= isteps)) {
     // if step is negative then it is logarithmic step
     bool isLogBin = (fullParams[istep] < 0.0);
@@ -80,7 +85,7 @@ int DLLExport createAxisFromRebinParams(const std::vector<double> &params, std::
       // we are starting a new bin, but since it is a rev log, xcurr needs to be at its end
       xcurr = fullParams[ibound];
     }
-
+    if (!isPower) {
       if (!isLogBin)
         xs = fullParams[istep];
       else {
@@ -95,6 +100,10 @@ int DLLExport createAxisFromRebinParams(const std::vector<double> &params, std::
         } else
           xs = xcurr * fabs(fullParams[istep]);
       }
+    } else {
+      xs = fullParams[istep] * std::pow(currDiv, -power);
+      ++currDiv;
+    }
 
     if (fabs(xs) == 0.0) {
       // Someone gave a 0-sized step! What a dope.

docs/source/algorithms/Rebin-v1.rst

@@ -94,6 +94,19 @@ Hence the actual *Param* string used is "0, 2, 4, 3, 10".
 
 This flag is ignored if UseReverseLogarithm is checked.
 
+Power option
+############
+
+If a value between 0 (excluded) and 1 (included) is provided in the Power field, the binning will follow an inverse power
+pattern, each bin having a width of
+
+.. math:: w_i = \frac{F}{i^{\mathrm{power}}
+
+where F is the factor provided between the boundaries.
+Since, even though these series diverge and will reach whatever bounds are given, they might take an exponentially slow time
+to reach them, and thus an exponential number of bins, a check ensure that the total number of bins is not greater
+than 10000.
+
 .. _rebin-usage:
 
 Usage
@@ -161,6 +174,26 @@ Output:
 
    The rebinned X values are: [ 1.  6.  8.  9.]
 
+**Example - Inverse power rebinning:**
+
+.. testcode:: ExInversePower
+
+   # create histogram workspace
+   dataX = [1,2,3,4,5,6,7,8,9,10] # or use dataX=range(1,11)
+   dataY = [1,2,3,4,5,6,7,8,9] # or use dataY=range(1,10)
+   ws = CreateWorkspace(dataX, dataY)
+
+   # rebin from min to max - 1 with square root
+   ws = Rebin(ws, "1, 3, 10", Power=0.5)
+
+   print("The rebinned X values are: {}".format(ws.readX(0)))
+
+Output:
+
+.. testoutput:: ExHistRevLog
+
+   The rebinned X values are: [ 1.  4.  6.121320344  7.853371151  9.353371151  10.]
+
 **Example - custom two regions rebinning:**
 
 .. testcode:: ExHistCustom

docs/source/release/v6.2.0/framework.rst

@@ -21,7 +21,7 @@ Improvements
 
 - :ref:`CreateSampleWorkspace <algm-CreateSampleWorkspace>` has new property InstrumentName.
 - Event nexuses produced at ILL can now be loaded using :ref:`LoadEventNexus <algm-LoadEventNexus>`.
-- :ref:`Rebin <algm-Rebin>` now support reverse logarithmic binning.
+- :ref:`Rebin <algm-Rebin>` now support reverse logarithmic and inverse power binning.
 
 Bugfixes
 ########