Refs #11551. Added LatticeDomain

Code/Mantid/Framework/API/CMakeLists.txt

@@ -76,6 +76,7 @@ set ( SRC_FILES
 	src/ImplicitFunctionParserFactory.cpp
 	src/InstrumentDataService.cpp
 	src/JointDomain.cpp
+	src/LatticeDomain.cpp
 	src/LinearScale.cpp
 	src/LiveListenerFactory.cpp
 	src/LogManager.cpp
@@ -242,6 +243,7 @@ set ( INC_FILES
 	inc/MantidAPI/InstrumentDataService.h
 	inc/MantidAPI/Jacobian.h
 	inc/MantidAPI/JointDomain.h
+	inc/MantidAPI/LatticeDomain.h
 	inc/MantidAPI/LinearScale.h
 	inc/MantidAPI/LiveListenerFactory.h
 	inc/MantidAPI/LogManager.h
@@ -348,6 +350,7 @@ set ( TEST_FILES
 	ImplicitFunctionParserFactoryTest.h
 	IncreasingAxisValidatorTest.h
 	InstrumentDataServiceTest.h
+	LatticeDomainTest.h
 	LiveListenerFactoryTest.h
 	LogManagerTest.h
 	MDGeometryTest.h

Code/Mantid/Framework/API/inc/MantidAPI/LatticeDomain.h

@@ -0,0 +1,55 @@
+#ifndef MANTID_API_LATTICEDOMAIN_H_
+#define MANTID_API_LATTICEDOMAIN_H_
+
+#include "MantidAPI/DllConfig.h"
+#include "MantidAPI/FunctionDomain.h"
+#include "MantidKernel/V3D.h"
+
+namespace Mantid {
+namespace API {
+
+/** LatticeDomain
+
+  This domain stores V3D-objects as HKLs instead of double-values. It can be
+  used to refine lattice parameters from HKL/d-pairs.
+
+    @author Michael Wedel, Paul Scherrer Institut - SINQ
+    @date 15/04/2015
+
+  Copyright © 2015 PSI-NXMM
+
+  This file is part of Mantid.
+
+  Mantid is free software; you can redistribute it and/or modify
+  it under the terms of the GNU General Public License as published by
+  the Free Software Foundation; either version 3 of the License, or
+  (at your option) any later version.
+
+  Mantid is distributed in the hope that it will be useful,
+  but WITHOUT ANY WARRANTY; without even the implied warranty of
+  MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
+  GNU General Public License for more details.
+
+  You should have received a copy of the GNU General Public License
+  along with this program.  If not, see <http://www.gnu.org/licenses/>.
+
+  File change history is stored at: <https://github.com/mantidproject/mantid>
+  Code Documentation is available at: <http://doxygen.mantidproject.org>
+*/
+class MANTID_API_DLL LatticeDomain : public FunctionDomain {
+public:
+  LatticeDomain(const std::vector<Kernel::V3D> &hkls);
+  virtual ~LatticeDomain() {}
+
+  size_t size() const;
+
+  const Kernel::V3D &operator[](size_t i) const;
+
+protected:
+  std::vector<Kernel::V3D> m_hkls;
+};
+
+} // namespace API
+} // namespace Mantid
+
+#endif /* MANTID_API_LATTICEDOMAIN_H_ */

Code/Mantid/Framework/API/src/LatticeDomain.cpp

@@ -0,0 +1,20 @@
+#include "MantidAPI/LatticeDomain.h"
+#include "MantidKernel/Exception.h"
+namespace Mantid {
+namespace API {
+
+LatticeDomain::LatticeDomain(const std::vector<Kernel::V3D> &hkls)
+    : m_hkls(hkls) {}
+
+size_t LatticeDomain::size() const { return m_hkls.size(); }
+
+const Kernel::V3D &LatticeDomain::operator[](size_t i) const {
+  if (i >= m_hkls.size()) {
+    throw Kernel::Exception::IndexError(i, m_hkls.size() - 1,
+                                        "Index exceeds size of LatticeDomain.");
+  }
+  return m_hkls[i];
+}
+
+} // namespace API
+} // namespace Mantid

Code/Mantid/Framework/API/test/LatticeDomainTest.h

@@ -0,0 +1,61 @@
+#ifndef MANTID_API_LATTICEDOMAINTEST_H_
+#define MANTID_API_LATTICEDOMAINTEST_H_
+
+#include <cxxtest/TestSuite.h>
+
+#include "MantidAPI/LatticeDomain.h"
+#include "MantidKernel/Exception.h"
+
+using Mantid::API::LatticeDomain;
+using Mantid::Kernel::V3D;
+using Mantid::Kernel::Exception::IndexError;
+
+using namespace Mantid::API;
+
+class LatticeDomainTest : public CxxTest::TestSuite {
+public:
+  // This pair of boilerplate methods prevent the suite being created statically
+  // This means the constructor isn't called when running other tests
+  static LatticeDomainTest *createSuite() { return new LatticeDomainTest(); }
+  static void destroySuite(LatticeDomainTest *suite) { delete suite; }
+
+  void testConstruction() {
+    std::vector<V3D> hkls;
+    hkls.push_back(V3D(1, 1, 1));
+    hkls.push_back(V3D(2, 1, 0));
+    hkls.push_back(V3D(0, 0, 1));
+
+    TS_ASSERT_THROWS_NOTHING(LatticeDomain domain(hkls));
+
+    std::vector<V3D> empty;
+    TS_ASSERT_THROWS_NOTHING(LatticeDomain domain(empty));
+  }
+
+  void testSize() {
+    std::vector<V3D> hkls;
+    hkls.push_back(V3D(1, 1, 1));
+    hkls.push_back(V3D(2, 1, 0));
+    hkls.push_back(V3D(0, 0, 1));
+
+    LatticeDomain domain(hkls);
+
+    TS_ASSERT_EQUALS(domain.size(), hkls.size());
+  }
+
+  void testAccess() {
+    std::vector<V3D> hkls;
+    hkls.push_back(V3D(1, 1, 1));
+    hkls.push_back(V3D(2, 1, 0));
+    hkls.push_back(V3D(0, 0, 1));
+
+    LatticeDomain domain(hkls);
+
+    TS_ASSERT_THROWS_NOTHING(domain[0]);
+    TS_ASSERT_THROWS_NOTHING(domain[1]);
+    TS_ASSERT_THROWS_NOTHING(domain[2]);
+
+    TS_ASSERT_THROWS(domain[3], IndexError)
+  }
+};
+
+#endif /* MANTID_API_LATTICEDOMAINTEST_H_ */