diff --git a/Code/Mantid/Framework/MDAlgorithms/inc/MantidMDAlgorithms/CutMD.h b/Code/Mantid/Framework/MDAlgorithms/inc/MantidMDAlgorithms/CutMD.h
index 2ad56c17ac8fb378531609d91df78f79a2aaeee7..4d3124c7d3792d6c6fedc0a94ead2f450c2fd944 100644
--- a/Code/Mantid/Framework/MDAlgorithms/inc/MantidMDAlgorithms/CutMD.h
+++ b/Code/Mantid/Framework/MDAlgorithms/inc/MantidMDAlgorithms/CutMD.h
@@ -48,8 +48,13 @@ public:
virtual void init();
virtual void exec();
-
-private:
+
+ static const std::string InvAngstromSymbol;
+ static const std::string RLUSymbol;
+ static const std::string AutoMethod;
+ static const std::string RLUMethod;
+ static const std::string InvAngstromMethod;
+
};
} // namespace MDAlgorithms
diff --git a/Code/Mantid/Framework/MDAlgorithms/src/CutMD.cpp b/Code/Mantid/Framework/MDAlgorithms/src/CutMD.cpp
index 85cbdcd35b5dfc35efcb00e49987fd9cefa22d55..c74e52602e582e2954fbdb4fb7c45e169a56e6ad 100644
--- a/Code/Mantid/Framework/MDAlgorithms/src/CutMD.cpp
+++ b/Code/Mantid/Framework/MDAlgorithms/src/CutMD.cpp
@@ -4,9 +4,15 @@
#include "MantidAPI/Projection.h"
#include "MantidGeometry/Crystal/OrientedLattice.h"
#include "MantidKernel/ArrayProperty.h"
+#include "MantidKernel/ListValidator.h"
#include "MantidKernel/Matrix.h"
#include "MantidKernel/System.h"
+#include <boost/make_shared.hpp>
+#include <boost/regex.hpp>
+#include <boost/algorithm/string.hpp>
+
+
using namespace Mantid::API;
using namespace Mantid::Geometry;
using namespace Mantid::Kernel;
@@ -47,7 +53,7 @@ DblMatrix scaleProjection(const DblMatrix &inMatrix,
orientedLattice.dstar(inMatrix[i][0], inMatrix[i][1], inMatrix[i][2]);
if (inUnits[i] == outUnits[i])
continue;
- else if (inUnits[i] == "a") {
+ else if (inUnits[i] == Mantid::MDAlgorithms::CutMD::InvAngstromSymbol) {
// inv angstroms to rlu
for (size_t j = 0; j < numDims; ++j)
ret[i][j] *= dStar;
@@ -178,6 +184,34 @@ std::vector<std::string> labelProjection(const DblMatrix &projection) {
}
return ret;
}
+
+/**
+Determine the original q units. Assumes first 3 dimensions by index are r,l,d
+@param inws : Input workspace to extract dimension info from
+@param logger : logging object
+@return vector of markers
+*/
+std::vector<std::string> findOriginalQUnits(IMDWorkspace const *const inws,
+ Mantid::Kernel::Logger &logger) {
+ std::vector<std::string> unitMarkers(3);
+ for (size_t i = 0; i < inws->getNumDims() && i < 3; ++i) {
+ auto units = inws->getDimension(i)->getUnits();
+ const boost::regex re("A\\^-1", boost::regex::icase);
+ // Does the unit label look like it's in Angstroms?
+ std::string unitMarker;
+ if (boost::regex_match(units.ascii(), re)) {
+ unitMarker = Mantid::MDAlgorithms::CutMD::InvAngstromSymbol;
+ } else {
+ unitMarker = Mantid::MDAlgorithms::CutMD::RLUSymbol;
+ }
+ unitMarkers[i] = unitMarker;
+ logger.debug() << "In dimension with index " << i << " and units "
+ << units.ascii() << " taken to be of type " << unitMarker
+ << std::endl;
+ }
+ return unitMarkers;
+}
+
} // anonymous namespace
namespace Mantid {
@@ -186,6 +220,12 @@ namespace MDAlgorithms {
// Register the algorithm into the AlgorithmFactory
DECLARE_ALGORITHM(CutMD)
+const std::string CutMD::InvAngstromSymbol = "a";
+const std::string CutMD::RLUSymbol = "r";
+const std::string CutMD::AutoMethod = "Auto";
+const std::string CutMD::RLUMethod = "RLU";
+const std::string CutMD::InvAngstromMethod = "Q in A^-1";
+
//----------------------------------------------------------------------------------------------
/** Constructor
*/
@@ -221,6 +261,23 @@ void CutMD::init() {
"as output. True to create an "
"MDHistoWorkspace as output. This is DND "
"only in Horace terminology.");
+
+ std::vector<std::string> propOptions;
+ propOptions.push_back(AutoMethod);
+ propOptions.push_back(RLUMethod);
+ propOptions.push_back(InvAngstromMethod);
+ char buffer[1024];
+ std::sprintf(buffer, "How will the Q units of the input workspace be interpreted? This property will disappear in future versions of Mantid\n"
+ "%s : Figure it out based on the label units\n"
+ "%s : Force them to be rlu\n"
+ "%s : Force them to be inverse angstroms", AutoMethod.c_str(), RLUMethod.c_str(), InvAngstromMethod.c_str());
+
+ std::string help(buffer);
+ boost::algorithm::trim(help);
+ declareProperty(
+ "InterpretQDimensionUnits", AutoMethod,
+ boost::make_shared<StringListValidator>(propOptions), help
+ );
}
void CutMD::exec() {
@@ -293,8 +350,18 @@ void CutMD::exec() {
std::vector<std::string> targetUnits(3);
for (size_t i = 0; i < 3; ++i)
- targetUnits[i] = projection.getUnit(i) == RLU ? "r" : "a";
- std::vector<std::string> originUnits(3, "r"); // TODO. This is a hack!
+ targetUnits[i] =
+ projection.getUnit(i) == RLU ? RLUSymbol : InvAngstromSymbol;
+
+ const std::string determineUnitsMethod = this->getProperty("InterpretQDimensionUnits");
+ std::vector<std::string> originUnits;
+ if ( determineUnitsMethod == AutoMethod ) {
+ originUnits = findOriginalQUnits(inWS.get(), g_log);
+ } else if (determineUnitsMethod == RLUMethod ) {
+ originUnits = std::vector<std::string>(3, RLUSymbol);
+ } else{
+ originUnits = std::vector<std::string>(3, InvAngstromSymbol);
+ }
DblMatrix scaledProjectionMatrix =
scaleProjection(projectionMatrix, originUnits, targetUnits, eventInWS);
@@ -333,7 +400,7 @@ void CutMD::exec() {
}
// Make labels
- std::vector<std::string> labels = labelProjection(projectionMatrix);
+ std::vector<std::string> labels = labelProjection(scaledProjectionMatrix);
// Either run RebinMD or SliceMD
const std::string cutAlgName = noPix ? "BinMD" : "SliceMD";
@@ -356,7 +423,8 @@ void CutMD::exec() {
std::vector<std::string> vec(numDims, "0");
for (size_t j = 0; j < 3; ++j)
- vec[j] = boost::lexical_cast<std::string>(projectionMatrix[i][j]);
+ vec[j] =
+ boost::lexical_cast<std::string>(scaledProjectionMatrix[i][j]);
vecStr = boost::algorithm::join(vec, ", ");
} else {
// Always orthogonal