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Refs #11355 Transfer orthogonal slice with scaling test
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Harry Jeffery committed Mar 30, 2015
1 parent c55a64d commit 6228c1f
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64 changes: 64 additions & 0 deletions Code/Mantid/Framework/MDAlgorithms/test/CutMDTest.h
Expand Up @@ -6,6 +6,8 @@
#include "MantidAPI/FrameworkManager.h"
#include "MantidAPI/IMDWorkspace.h"
#include "MantidAPI/IMDEventWorkspace.h"
#include "MantidAPI/IMDHistoWorkspace.h"
#include "MantidAPI/TableRow.h"

#include <cxxtest/TestSuite.h>

Expand Down Expand Up @@ -232,6 +234,68 @@ class CutMDTest : public CxxTest::TestSuite {
algCutMD->setProperty("CheckAxes", false);
TS_ASSERT_THROWS(algCutMD->execute(), std::runtime_error);
}

void test_orthogonal_slice_with_scaling() {
const std::string wsName = "__CutMDTest_orthog_slice_with_scaling";

FrameworkManager::Instance().exec("CreateMDWorkspace", 10,
"OutputWorkspace", wsName.c_str(),
"Dimensions", "3",
"Extents", "-1,1,-1,1,-1,1",
"Names", "H,K,L",
"Units", "U,U,U");

FrameworkManager::Instance().exec("SetUB", 14,
"Workspace", wsName.c_str(),
"a", "1", "b", "1", "c", "1",
"alpha", "90", "beta", "90", "gamma", "90");

FrameworkManager::Instance().exec("SetSpecialCoordinates", 4,
"InputWorkspace", wsName.c_str(),
"SpecialCoordinates", "HKL");

ITableWorkspace_sptr proj = WorkspaceFactory::Instance().createTable();
proj->addColumn("str", "name");
proj->addColumn("str", "value");
proj->addColumn("double", "offset");
proj->addColumn("str", "type");

TableRow uRow = proj->appendRow();
TableRow vRow = proj->appendRow();
TableRow wRow = proj->appendRow();
uRow << "u" << "1,0,0" << 0.0 << "r";
vRow << "v" << "0,1,0" << 0.0 << "r";
wRow << "w" << "0,0,1" << 0.0 << "r";

auto algCutMD = FrameworkManager::Instance().createAlgorithm("CutMD");
algCutMD->initialize();
algCutMD->setRethrows(true);
algCutMD->setProperty("InputWorkspace", wsName);
algCutMD->setProperty("OutputWorkspace", wsName);
algCutMD->setProperty("Projection", proj);
algCutMD->setProperty("P1Bin", "-0.5,0.5");
algCutMD->setProperty("P2Bin", "-0.1,0.1");
algCutMD->setProperty("P3Bin", "-0.3,0.3");
algCutMD->setProperty("NoPix", true);
algCutMD->execute();
TS_ASSERT(algCutMD->isExecuted());

IMDHistoWorkspace_sptr outWS =
AnalysisDataService::Instance().retrieveWS<IMDHistoWorkspace>(wsName);
TS_ASSERT(outWS.get());

TS_ASSERT_DELTA(outWS->getDimension(0)->getMinimum(), -0.5, 1E-6);
TS_ASSERT_DELTA(outWS->getDimension(0)->getMaximum(), 0.5, 1E-6);
TS_ASSERT_DELTA(outWS->getDimension(1)->getMinimum(), -0.1, 1E-6);
TS_ASSERT_DELTA(outWS->getDimension(1)->getMaximum(), 0.1, 1E-6);
TS_ASSERT_DELTA(outWS->getDimension(2)->getMinimum(), -0.3, 1E-6);
TS_ASSERT_DELTA(outWS->getDimension(2)->getMaximum(), 0.3, 1E-6);
TS_ASSERT_EQUALS("['zeta', 0, 0]", outWS->getDimension(0)->getName());
TS_ASSERT_EQUALS("[0, 'eta', 0]", outWS->getDimension(1)->getName());
TS_ASSERT_EQUALS("[0, 0, 'xi']", outWS->getDimension(2)->getName());

AnalysisDataService::Instance().remove(wsName);
}
};

#endif /* MANTID_MDALGORITHMS_CUTMDTEST_H_ */
Expand Up @@ -22,49 +22,6 @@ def setUp(self):
def tearDown(self):
DeleteWorkspace(self.__in_md )

def test_orthogonal_slice_with_scaling(self):
# We create a fake workspace and check to see that the extents get scaled with the new coordinate system when sliced
to_cut = CreateMDWorkspace(Dimensions=3, Extents=[-1,1,-1,1,-1,1], Names='H,K,L', Units='U,U,U')
# Set the UB
SetUB(Workspace=to_cut, a = 1, b = 1, c = 1, alpha =90, beta=90, gamma = 90)

SetSpecialCoordinates(InputWorkspace=to_cut, SpecialCoordinates='HKL')

scale_x = 2.0
scale_y = 2.0

projection = CreateEmptyTableWorkspace()
# Correct number of columns, and names
projection.addColumn("str", "name")
projection.addColumn("str", "value")
projection.addColumn("double", "offset")
projection.addColumn("str", "type")

projection.addRow(["u", "%s,0,0" % scale_x, 0, "r"])
projection.addRow(["v", "0,%s,0" % scale_y, 0, "r"])

u = map(float,projection.cell(0,1).split(","))
v = map(float,projection.cell(1,1).split(","))
scale_z = np.cross(v,u)[-1]
projection.addRow(["w", "0,0,%s" % scale_z, 0, "r"])

out_md = CutMD(to_cut, Projection=projection, P1Bin=[0.1], P2Bin=[0.1], P3Bin=[0.1])

'''
Here we check that the corners in HKL end up in the expected positions when transformed into the new scaled basis
provided by the W transform (projection table)
'''
self.assertEquals(-(1/scale_x), out_md.getDimension(0).getMinimum())
self.assertEquals((1/scale_x), out_md.getDimension(0).getMaximum())
self.assertEquals(-(1/scale_y), out_md.getDimension(1).getMinimum())
self.assertEquals((1/scale_y), out_md.getDimension(1).getMaximum())
self.assertEquals((1/scale_z), out_md.getDimension(2).getMinimum())
self.assertEquals(-(1/scale_z), out_md.getDimension(2).getMaximum())
self.assertEquals("['2.00zeta', 0, 0]", out_md.getDimension(0).getName() )
self.assertEquals("[0, '2.00eta', 0]", out_md.getDimension(1).getName() )
self.assertEquals("[0, 0, '-4.00xi']", out_md.getDimension(2).getName() )


def test_non_orthogonal_slice(self):
# We create a fake workspace and check to see that the extents get transformed to the new coordinate system.
to_cut = CreateMDWorkspace(Dimensions=3, Extents=[-1,1,-1,1,-1,1], Names='H,K,L', Units='U,U,U')
Expand Down

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