diff --git a/Code/Mantid/Framework/Crystal/inc/MantidCrystal/PeaksInRegion.h b/Code/Mantid/Framework/Crystal/inc/MantidCrystal/PeaksInRegion.h
index 1088c829c798b0e7ac5ac7736d27f57e1efcad5e..138b0be440a67bbb8f64c0cfaff7bd08125ef3c8 100644
--- a/Code/Mantid/Framework/Crystal/inc/MantidCrystal/PeaksInRegion.h
+++ b/Code/Mantid/Framework/Crystal/inc/MantidCrystal/PeaksInRegion.h
@@ -53,4 +53,4 @@ namespace Crystal
} // namespace Crystal
} // namespace Mantid
-#endif /* MANTID_CRYSTAL_PEAKSINREGION_H_ */
\ No newline at end of file
+#endif /* MANTID_CRYSTAL_PEAKSINREGION_H_ */
diff --git a/Code/Mantid/Framework/Crystal/src/PeaksInRegion.cpp b/Code/Mantid/Framework/Crystal/src/PeaksInRegion.cpp
index bebc1b3fe44a95f761c0d8dd81f8caa03837d5ca..883322741c4cf68d4ee14bdb1be346bbcf383e60 100644
--- a/Code/Mantid/Framework/Crystal/src/PeaksInRegion.cpp
+++ b/Code/Mantid/Framework/Crystal/src/PeaksInRegion.cpp
@@ -13,6 +13,7 @@ Determines which peaks intersect a defined region in either QLab, QSample or HKL
#include "MantidKernel/ListValidator.h"
#include "MantidKernel/ArrayProperty.h"
#include "MantidKernel/MandatoryValidator.h"
+#include "MantidKernel/EnabledWhenProperty.h"
#include "MantidDataObjects/TableWorkspace.h"
using namespace Mantid::Kernel;
@@ -100,6 +101,10 @@ namespace Crystal
" HKL"
);
+ declareProperty("CheckPeakExtents", false, "Include any peak in the region that has a shape extent extending into that region.");
+
+ declareProperty("PeakRadius", 0.0, "Effective peak radius in CoordinateFrame");
+
auto manditoryExtents = boost::make_shared<Mantid::Kernel::MandatoryValidator<std::vector<double> > >();
std::vector<double> extents(2,0);
@@ -110,6 +115,28 @@ namespace Crystal
"specifying the extents of each dimension. Optional, default +-50 in each dimension.");
declareProperty(new WorkspaceProperty<ITableWorkspace>("OutputWorkspace","",Direction::Output), "An output table workspace. Two columns. Peak index into input workspace, and boolean, where true is for positive intersection.");
+
+ setPropertySettings("PeakRadius", new EnabledWhenProperty("CheckPeakExtents", IS_NOT_DEFAULT) );
+ }
+
+ void validateExtentsInput(std::vector<double>& extents)
+ {
+ if(extents.size() != 6)
+ {
+ throw std::invalid_argument("Six commma separated entries for the extents expected");
+ }
+ if(extents[0] >= extents[1])
+ {
+ throw std::invalid_argument("xmin >= xmax");
+ }
+ if(extents[2] >= extents[3])
+ {
+ throw std::invalid_argument("ymin >= ymax");
+ }
+ if(extents[4] >= extents[5])
+ {
+ throw std::invalid_argument("zmin >= zmax");
+ }
}
//----------------------------------------------------------------------------------------------
@@ -118,13 +145,12 @@ namespace Crystal
void PeaksInRegion::exec()
{
std::vector<double> extents = this->getProperty("Extents");
- if(extents.size() != 6)
- {
- throw std::invalid_argument("Six commma separated entries for the extents expected");
- }
+ validateExtentsInput(extents);
const std::string coordinateFrame = this->getPropertyValue("CoordinateFrame");
IPeaksWorkspace_sptr ws = this->getProperty("InputWorkspace");
+ const bool checkPeakExtents = this->getProperty("CheckPeakExtents");
+ const double peakRadius = this->getProperty("PeakRadius");
boost::function<V3D(IPeak*)> coordFrameFunc = &IPeak::getHKL;
if(coordinateFrame == detectorSpaceFrame())
@@ -146,10 +172,54 @@ namespace Crystal
outputWorkspace->addColumn("int", "PeakIndex");
outputWorkspace->addColumn("bool", "Intersecting");
- // Candidate for parallelisation.
- PARALLEL_FOR2(ws, outputWorkspace)
- for(int i = 0; i < nPeaks; ++i)
+ const int minXIndex = 0;
+ const int maxXIndex = 1;
+ const int minYIndex = 2;
+ const int maxYIndex = 3;
+ const int minZIndex = 4;
+ const int maxZIndex = 5;
+
+ // Clockwise ordering of points around the extents box
+ /*
+
+ on front face. Positive z extends into plane.
+
+ p2|---|p3
+ | |
+ p1|---|p4
+ */
+ V3D point1(extents[minXIndex], extents[minYIndex], extents[minZIndex]);
+ V3D point2(extents[minXIndex], extents[maxYIndex], extents[minZIndex]);
+ V3D point3(extents[maxXIndex], extents[maxYIndex], extents[minZIndex]);
+ V3D point4(extents[maxXIndex], extents[minYIndex], extents[minZIndex]);
+ V3D point5(extents[minXIndex], extents[minYIndex], extents[maxZIndex]);
+ V3D point6(extents[minXIndex], extents[maxYIndex], extents[maxZIndex]);
+ V3D point7(extents[maxXIndex], extents[maxYIndex], extents[maxZIndex]);
+ V3D point8(extents[maxXIndex], extents[minYIndex], extents[maxZIndex]);
+
+ V3D faces[6][3] =
+ {
+ {point1, point5, point6} // These define a face normal to x at xmin.
+ ,{point4, point7, point8} // These define a face normal to x at xmax.
+ ,{point1, point4, point8} // These define a face normal to y at ymin.
+ ,{point2, point3, point7} // These define a face normal to y at ymax.
+ ,{point1, point2, point3} // These define a face normal to z at zmin.
+ ,{point5, point6, point7}
+ }; // These define a face normal to z at zmax.
+
+ // Calculate the normals for each face.
+ V3D normals[6];
+ for(int i = 0; i < 6; ++i)
{
+ V3D* face = faces[i];
+ normals[i] = (face[1] - face[0]).cross_prod((face[2] - face[0]));
+ normals[i].normalize();
+ }
+
+ // Candidate for parallelisation.
+ PARALLEL_FOR2(ws, outputWorkspace)
+ for(int i = 0; i < nPeaks; ++i)
+ {
PARALLEL_START_INTERUPT_REGION
IPeak* peak = ws->getPeakPtr(i);
V3D peakCenter = coordFrameFunc(peak);
@@ -159,8 +229,23 @@ namespace Crystal
|| peakCenter[1] < extents[2] || peakCenter[1] >= extents[3]
|| peakCenter[2] < extents[4] || peakCenter[2] >= extents[5])
{
+
// Out of bounds.
doesIntersect = false;
+
+ if(checkPeakExtents)
+ {
+ // Take account of radius spherical extents.
+ for(int i = 0; i < 6; ++i)
+ {
+ double distance = normals[i].scalar_prod(peakCenter - faces[i][0]); // Distance between plane and peak center.
+ if(peakRadius > std::abs(normals[i].scalar_prod(peakCenter - faces[i][0]))) // Sphere passes through one of the faces, so intersects the box.
+ {
+ doesIntersect = true;
+ break;
+ }
+ }
+ }
}
TableRow row = outputWorkspace->getRow(i);
@@ -176,4 +261,4 @@ namespace Crystal
} // namespace Crystal
-} // namespace Mantid
\ No newline at end of file
+} // namespace Mantid
diff --git a/Code/Mantid/Framework/Crystal/test/PeaksInRegionTest.h b/Code/Mantid/Framework/Crystal/test/PeaksInRegionTest.h
index 0e2e54c66c8233171a038a9ac184ae63a04d1736..a25d7dcca70a91157b17cda9a89307837b185f76 100644
--- a/Code/Mantid/Framework/Crystal/test/PeaksInRegionTest.h
+++ b/Code/Mantid/Framework/Crystal/test/PeaksInRegionTest.h
@@ -80,7 +80,7 @@ public:
alg.setPropertyValue("OutputWorkspace", "OutWS");
}
- void test_badExtents()
+ void do_test_extents_throws(const std::string& message, const std::string& extents)
{
PeaksInRegion alg;
alg.setRethrows(true);
@@ -88,17 +88,33 @@ public:
TS_ASSERT( alg.isInitialized() ) ;
alg.setProperty("InputWorkspace", WorkspaceCreationHelper::createPeaksWorkspace());
alg.setPropertyValue("CoordinateFrame", "Q (lab frame)");
- alg.setPropertyValue("Extents", "-1,1,-1,1,-1,1, -1"); // Too many
+ alg.setPropertyValue("Extents", extents);
alg.setPropertyValue("OutputWorkspace", "OutWS");
- TS_ASSERT_THROWS( alg.execute(), std::invalid_argument&);
+ TSM_ASSERT_THROWS(message, alg.execute(), std::invalid_argument&);
+ }
- alg.setPropertyValue("Extents", "-1"); // Too few
+ void test_bad_extent_format_too_few()
+ {
+ do_test_extents_throws("Too few extents", "-1,1,-1,1,-1,1,-1");
+ }
- TS_ASSERT_THROWS( alg.execute(), std::invalid_argument&);
+ void test_bad_extent_format_too_many()
+ {
+ do_test_extents_throws("Too many extents", "-1,1,-1,1,-1,1,-1,1,-1");
}
- void do_test_within_bounds(const std::string coordFrame)
+ void test_bad_extent_pairs()
+ {
+ do_test_extents_throws("Invalid x extents", "-1,-1,-1,1,-1,1");
+
+ do_test_extents_throws("Invalid y extents", "-1,1,-1,-1,-1,1");
+
+ do_test_extents_throws("Invalid z extents", "-1,1,-1,1,-1,-1");
+
+ }
+
+ void do_test_within_bounds_center_only(const std::string& coordFrame)
{
const std::string outName = "OutWS";
const double xMinFromPeak = 1;
@@ -131,12 +147,11 @@ public:
TSM_ASSERT_EQUALS("Peak intersect should be true", Boolean(true), outWS->cell<Boolean>(0, 1));
}
- void do_test_out_of_bounds(const std::string coordFrame, double xMinFromPeak, double xMaxFromPeak, double yMinFromPeak, double yMaxFromPeak, double zMinFromPeak, double zMaxFromPeak)
+ void do_test_out_of_bounds_center_only(const std::string& coordFrame, double xMinFromPeak, double xMaxFromPeak, double yMinFromPeak, double yMaxFromPeak, double zMinFromPeak, double zMaxFromPeak)
{
const std::string outName = "OutWS";
PeakWorkspaceWithExtents tuple = createPeaksWorkspace(coordFrame, xMinFromPeak, xMaxFromPeak, yMinFromPeak, yMaxFromPeak, zMinFromPeak, zMaxFromPeak);
-
PeaksInRegion alg;
alg.setRethrows(true);
alg.initialize();
@@ -144,6 +159,7 @@ public:
alg.setPropertyValue("CoordinateFrame", coordFrame);
alg.setProperty("Extents", tuple.get<1>());
alg.setPropertyValue("OutputWorkspace", outName);
+ alg.setProperty("CheckPeakExtents", true);
alg.execute();
ITableWorkspace_sptr outWS = AnalysisDataService::Instance().retrieveWS<ITableWorkspace>(outName);
@@ -151,7 +167,6 @@ public:
TS_ASSERT_EQUALS(2, outWS->columnCount());
TS_ASSERT_EQUALS("PeakIndex", outWS->getColumn(0)->name());
TS_ASSERT_EQUALS("Intersecting", outWS->getColumn(1)->name());
-
TS_ASSERT_EQUALS(1, outWS->rowCount());
TSM_ASSERT_EQUALS("Peak index should be zero", 0, outWS->cell<int>(0, 0));
@@ -160,73 +175,168 @@ public:
void test_detectorSpace_with_peak_in_bounds()
{
- do_test_within_bounds("Detector space");
+ do_test_within_bounds_center_only("Detector space");
}
void test_qLab_with_peak_in_bounds()
{
- do_test_within_bounds("Q (lab frame)");
+ do_test_within_bounds_center_only("Q (lab frame)");
}
void test_qSample_with_peak_in_bounds()
{
- do_test_within_bounds("Q (sample frame)");
+ do_test_within_bounds_center_only("Q (sample frame)");
}
void test_HKL_with_peak_in_bounds()
{
- do_test_within_bounds("HKL");
+ do_test_within_bounds_center_only("HKL");
}
void test_detectorSpace_with_peaks_out_of_bounds()
{
const std::string coordinateFrame = "Detector space";
- do_test_out_of_bounds(coordinateFrame, -1, 1, 1, 1, 1, 1); // outside xmin
- do_test_out_of_bounds(coordinateFrame, 1, -1, 1, 1, 1, 1); // outside xmax
- do_test_out_of_bounds(coordinateFrame, 1, 1, -1, 1, 1, 1); // outside ymin
- do_test_out_of_bounds(coordinateFrame, 1, 1, 1, -1, 1, 1); // outside ymax
- do_test_out_of_bounds(coordinateFrame, 1, 1, 1, 1, -1, 1); // outside zmin
- do_test_out_of_bounds(coordinateFrame, 1, 1, 1, 1, 1, -1); // outside zmax
+ do_test_out_of_bounds_center_only(coordinateFrame, -0.5, 1, 1, 1, 1, 1); // outside xmin
+ do_test_out_of_bounds_center_only(coordinateFrame, 1, -0.5, 1, 1, 1, 1); // outside xmax
+ do_test_out_of_bounds_center_only(coordinateFrame, 1, 1, -0.5, 1, 1, 1); // outside ymin
+ do_test_out_of_bounds_center_only(coordinateFrame, 1, 1, 1, -0.5, 1, 1); // outside ymax
+ do_test_out_of_bounds_center_only(coordinateFrame, 1, 1, 1, 1, -0.5, 1); // outside zmin
+ do_test_out_of_bounds_center_only(coordinateFrame, 1, 1, 1, 1, 1, -0.5); // outside zmax
}
void test_qLab_with_peaks_out_of_bounds()
{
const std::string coordinateFrame = "Q (lab frame)";
- do_test_out_of_bounds(coordinateFrame, -1, 1, 1, 1, 1, 1); // outside xmin
- do_test_out_of_bounds(coordinateFrame, 1, -1, 1, 1, 1, 1); // outside xmax
- do_test_out_of_bounds(coordinateFrame, 1, 1, -1, 1, 1, 1); // outside ymin
- do_test_out_of_bounds(coordinateFrame, 1, 1, 1, -1, 1, 1); // outside ymax
- do_test_out_of_bounds(coordinateFrame, 1, 1, 1, 1, -1, 1); // outside zmin
- do_test_out_of_bounds(coordinateFrame, 1, 1, 1, 1, 1, -1); // outside zmax
+ do_test_out_of_bounds_center_only(coordinateFrame, -0.5, 1, 1, 1, 1, 1); // outside xmin
+ do_test_out_of_bounds_center_only(coordinateFrame, 1, -0.5, 1, 1, 1, 1); // outside xmax
+ do_test_out_of_bounds_center_only(coordinateFrame, 1, 1, -0.5, 1, 1, 1); // outside ymin
+ do_test_out_of_bounds_center_only(coordinateFrame, 1, 1, 1, -0.5, 1, 1); // outside ymax
+ do_test_out_of_bounds_center_only(coordinateFrame, 1, 1, 1, 1, -0.5, 1); // outside zmin
+ do_test_out_of_bounds_center_only(coordinateFrame, 1, 1, 1, 1, 1, -0.5); // outside zmax
}
void test_qSample_with_peaks_out_of_bounds()
{
const std::string coordinateFrame = "Q (sample frame)";
- do_test_out_of_bounds(coordinateFrame, -1, 1, 1, 1, 1, 1); // outside xmin
- do_test_out_of_bounds(coordinateFrame, 1, -1, 1, 1, 1, 1); // outside xmax
- do_test_out_of_bounds(coordinateFrame, 1, 1, -1, 1, 1, 1); // outside ymin
- do_test_out_of_bounds(coordinateFrame, 1, 1, 1, -1, 1, 1); // outside ymax
- do_test_out_of_bounds(coordinateFrame, 1, 1, 1, 1, -1, 1); // outside zmin
- do_test_out_of_bounds(coordinateFrame, 1, 1, 1, 1, 1, -1); // outside zmax
+ do_test_out_of_bounds_center_only(coordinateFrame, -0.5, 1, 1, 1, 1, 1); // outside xmin
+ do_test_out_of_bounds_center_only(coordinateFrame, 1, -0.5, 1, 1, 1, 1); // outside xmax
+ do_test_out_of_bounds_center_only(coordinateFrame, 1, 1, -0.5, 1, 1, 1); // outside ymin
+ do_test_out_of_bounds_center_only(coordinateFrame, 1, 1, 1, -0.5, 1, 1); // outside ymax
+ do_test_out_of_bounds_center_only(coordinateFrame, 1, 1, 1, 1, -0.5, 1); // outside zmin
+ do_test_out_of_bounds_center_only(coordinateFrame, 1, 1, 1, 1, 1, -0.5); // outside zmax
}
void test_qHKL_with_peaks_out_of_bounds()
{
const std::string coordinateFrame = "HKL";
- do_test_out_of_bounds(coordinateFrame, -1, 1, 1, 1, 1, 1); // outside xmin
- do_test_out_of_bounds(coordinateFrame, 1, -1, 1, 1, 1, 1); // outside xmax
- do_test_out_of_bounds(coordinateFrame, 1, 1, -1, 1, 1, 1); // outside ymin
- do_test_out_of_bounds(coordinateFrame, 1, 1, 1, -1, 1, 1); // outside ymax
- do_test_out_of_bounds(coordinateFrame, 1, 1, 1, 1, -1, 1); // outside zmin
- do_test_out_of_bounds(coordinateFrame, 1, 1, 1, 1, 1, -1); // outside zmax
+ do_test_out_of_bounds_center_only(coordinateFrame, -0.5, 1, 1, 1, 1, 1); // outside xmin
+ do_test_out_of_bounds_center_only(coordinateFrame, 1, -0.5, 1, 1, 1, 1); // outside xmax
+ do_test_out_of_bounds_center_only(coordinateFrame, 1, 1, -0.5, 1, 1, 1); // outside ymin
+ do_test_out_of_bounds_center_only(coordinateFrame, 1, 1, 1, -0.5, 1, 1); // outside ymax
+ do_test_out_of_bounds_center_only(coordinateFrame, 1, 1, 1, 1, -0.5, 1); // outside zmin
+ do_test_out_of_bounds_center_only(coordinateFrame, 1, 1, 1, 1, 1, -0.5); // outside zmax
+ }
+
+ void do_test_bounds_check_extents(const std::string coordFrame, double xMinFromPeak, double xMaxFromPeak, double yMinFromPeak, double yMaxFromPeak, double zMinFromPeak, double zMaxFromPeak, double radius, bool expectation)
+ {
+ const std::string outName = "OutWS";
+
+ PeakWorkspaceWithExtents tuple = createPeaksWorkspace(coordFrame, xMinFromPeak, xMaxFromPeak, yMinFromPeak, yMaxFromPeak, zMinFromPeak, zMaxFromPeak);
+ PeaksInRegion alg;
+ alg.setRethrows(true);
+ alg.initialize();
+ alg.setProperty("InputWorkspace", tuple.get<0>());
+ alg.setPropertyValue("CoordinateFrame", coordFrame);
+ alg.setProperty("Extents", tuple.get<1>());
+ alg.setPropertyValue("OutputWorkspace", outName);
+ alg.setProperty("CheckPeakExtents", true);
+ alg.setProperty("PeakRadius", radius);
+ alg.execute();
+
+ ITableWorkspace_sptr outWS = AnalysisDataService::Instance().retrieveWS<ITableWorkspace>(outName);
+
+ TS_ASSERT_EQUALS(1, outWS->rowCount());
+ TSM_ASSERT_EQUALS("Peak index should be zero", 0, outWS->cell<int>(0, 0));
+ TSM_ASSERT_EQUALS("Peak intersect calculated incorrectly", Boolean(expectation), outWS->cell<Boolean>(0, 1));
+ }
+
+ void test_peak_intersects_xmin_boundary_when_radius_large_enough()
+ {
+ const std::string coordinateFrame = "Detector space";
+ const double wallDistanceFromPeakCenter = 0.5;
+
+ double peakRadius = 0.49; // not enough for the sphere to penetrate the bounding box. Expect failure
+ do_test_bounds_check_extents(coordinateFrame, -wallDistanceFromPeakCenter, 1, 1, 1, 1, 1, peakRadius, peakRadius > wallDistanceFromPeakCenter);
+
+ peakRadius = 0.51; // just enough for the sphere to penetrate the bounding box. Expect pass.
+ do_test_bounds_check_extents(coordinateFrame, -wallDistanceFromPeakCenter, 1, 1, 1, 1, 1, peakRadius, peakRadius > wallDistanceFromPeakCenter);
+ }
+
+ void test_peak_intersects_xmax_boundary_when_radius_large_enough()
+ {
+ const std::string coordinateFrame = "Detector space";
+ const double wallDistanceFromPeakCenter = 0.5;
+
+ double peakRadius = 0.49; // not enough for the sphere to penetrate the bounding box. Expect failure
+ do_test_bounds_check_extents(coordinateFrame, 1, -wallDistanceFromPeakCenter, 1, 1, 1, 1, peakRadius, peakRadius > wallDistanceFromPeakCenter);
+
+ peakRadius = 0.51; // just enough for the sphere to penetrate the bounding box. Expect pass.
+ do_test_bounds_check_extents(coordinateFrame, 1, -wallDistanceFromPeakCenter, 1, 1, 1, 1, peakRadius, peakRadius > wallDistanceFromPeakCenter);
+ }
+
+ void test_peak_intersects_ymin_boundary_when_radius_large_enough()
+ {
+ const std::string coordinateFrame = "Detector space";
+ const double wallDistanceFromPeakCenter = 0.5;
+
+ double peakRadius = 0.49; // not enough for the sphere to penetrate the bounding box. Expect failure
+ do_test_bounds_check_extents(coordinateFrame, 1, 1, -wallDistanceFromPeakCenter, 1, 1, 1, peakRadius, peakRadius > wallDistanceFromPeakCenter);
+
+ peakRadius = 0.51; // just enough for the sphere to penetrate the bounding box. Expect pass.
+ do_test_bounds_check_extents(coordinateFrame, 1, 1, -wallDistanceFromPeakCenter, 1, 1, 1, peakRadius, peakRadius > wallDistanceFromPeakCenter);
+ }
+
+ void test_peak_intersects_ymax_boundary_when_radius_large_enough()
+ {
+ const std::string coordinateFrame = "Detector space";
+ const double wallDistanceFromPeakCenter = 0.5;
+
+ double peakRadius = 0.49; // not enough for the sphere to penetrate the bounding box. Expect failure
+ do_test_bounds_check_extents(coordinateFrame, 1, 1, 1, -wallDistanceFromPeakCenter, 1, 1, peakRadius, peakRadius > wallDistanceFromPeakCenter);
+
+ peakRadius = 0.51; // just enough for the sphere to penetrate the bounding box. Expect pass.
+ do_test_bounds_check_extents(coordinateFrame, 1, 1, 1, -wallDistanceFromPeakCenter, 1, 1, peakRadius, peakRadius > wallDistanceFromPeakCenter);
+ }
+
+ void test_peak_intersects_zmin_boundary_when_radius_large_enough()
+ {
+ const std::string coordinateFrame = "Detector space";
+ const double wallDistanceFromPeakCenter = 0.5;
+
+ double peakRadius = 0.49; // not enough for the sphere to penetrate the bounding box. Expect failure
+ do_test_bounds_check_extents(coordinateFrame, 1, 1, 1, 1, -wallDistanceFromPeakCenter, 1, peakRadius, peakRadius > wallDistanceFromPeakCenter);
+
+ peakRadius = 0.51; // just enough for the sphere to penetrate the bounding box. Expect pass.
+ do_test_bounds_check_extents(coordinateFrame, 1, 1, 1, 1, -wallDistanceFromPeakCenter, 1, peakRadius, peakRadius > wallDistanceFromPeakCenter);
+ }
+
+ void test_peak_intersects_zmax_boundary_when_radius_large_enough()
+ {
+ const std::string coordinateFrame = "Detector space";
+ const double wallDistanceFromPeakCenter = 0.5;
+
+ double peakRadius = 0.49; // not enough for the sphere to penetrate the bounding box. Expect failure
+ do_test_bounds_check_extents(coordinateFrame, 1, 1, 1, 1, 1, -wallDistanceFromPeakCenter, peakRadius, peakRadius > wallDistanceFromPeakCenter);
+
+ peakRadius = 0.51; // just enough for the sphere to penetrate the bounding box. Expect pass.
+ do_test_bounds_check_extents(coordinateFrame, 1, 1, 1, 1, 1, -wallDistanceFromPeakCenter, peakRadius, peakRadius > wallDistanceFromPeakCenter);
}
};
/*-------------------------------------------------------------------------------------------------------------------------------------------------------
-Functional Tests
+Perfomance Tests
-------------------------------------------------------------------------------------------------------------------------------------------------------*/
class PeaksInRegionTestPerformance : public CxxTest::TestSuite
{
@@ -249,12 +359,12 @@ public:
for (int i = 0; i < numPeaks; ++i)
{
- Peak peak(inst, i, i+0.5);
+ Peak peak(inst, i, i+-0.5);
inputWS->addPeak(peak);
}
}
- void testPerformance()
+ void test_performance_peak_centers_only()
{
const std::string outName = "OutPerfWS";
@@ -266,6 +376,29 @@ public:
alg.setPropertyValue("CoordinateFrame", "Detector space");
alg.setPropertyValue("Extents", "-1,1,-1,1,-1,1");
alg.setPropertyValue("OutputWorkspace", outName);
+ alg.setProperty("CheckPeakExtents", false);
+ alg.execute();
+
+ Mantid::API::ITableWorkspace_sptr outWS = AnalysisDataService::Instance().retrieveWS<ITableWorkspace>(outName);
+
+ TS_ASSERT_EQUALS(2, outWS->columnCount());
+ TS_ASSERT_EQUALS(inputWS->rowCount(), outWS->rowCount());
+ }
+
+ void test_performance_peak_extents_checking()
+ {
+ const std::string outName = "OutPerfWS";
+
+ PeaksInRegion alg;
+ alg.setRethrows(true);
+ alg.initialize() ;
+ TS_ASSERT( alg.isInitialized() ) ;
+ alg.setProperty("InputWorkspace", inputWS);
+ alg.setPropertyValue("CoordinateFrame", "Detector space");
+ alg.setPropertyValue("Extents", "0.5,1,-1,1,-1,1");
+ alg.setPropertyValue("OutputWorkspace", outName);
+ alg.setProperty("CheckPeakExtents", true);
+ alg.setProperty("PeakRadius", 0.4);
alg.execute();
Mantid::API::ITableWorkspace_sptr outWS = AnalysisDataService::Instance().retrieveWS<ITableWorkspace>(outName);
@@ -277,4 +410,4 @@ public:
};
-#endif /* MANTID_CRYSTAL_PEAKSINREGIONTEST_H_ */
\ No newline at end of file
+#endif /* MANTID_CRYSTAL_PEAKSINREGIONTEST_H_ */