Refs #10282. Checkpointing work

mantidproject · Oct 24, 2014 · 7a22002 · 7a22002
1 parent be1467a
commit 7a22002
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Showing 3 changed files with 73 additions and 6 deletions.
diff --git a/Code/Mantid/Framework/Geometry/inc/MantidGeometry/Crystal/IScatterer.h b/Code/Mantid/Framework/Geometry/inc/MantidGeometry/Crystal/IScatterer.h
@@ -9,6 +9,9 @@
 #include <complex>
 #include <boost/shared_ptr.hpp>
 
+#include "MantidKernel/PropertyManager.h"
+#include "MantidKernel/TypedValidator.h"
+
 namespace Mantid
 {
 namespace Geometry
@@ -65,27 +68,30 @@ class IScatterer;
 
 typedef boost::shared_ptr<IScatterer> IScatterer_sptr;
 
-class MANTID_GEOMETRY_DLL IScatterer
+class MANTID_GEOMETRY_DLL IScatterer : public Kernel::PropertyManager
 {
 public:
     IScatterer(const Kernel::V3D &position = Kernel::V3D(0.0, 0.0, 0.0));
     virtual ~IScatterer() { }
 
+    void initialize();
+
     virtual IScatterer_sptr clone() const = 0;
 
-    virtual void setPosition(const Kernel::V3D &position);
     Kernel::V3D getPosition() const;
     std::vector<Kernel::V3D> getEquivalentPositions() const;
-
-    virtual void setCell(const UnitCell &cell);
     UnitCell getCell() const;
-
-    virtual void setSpaceGroup(const SpaceGroup_const_sptr &spaceGroup);
     SpaceGroup_const_sptr getSpaceGroup() const;
 
     virtual StructureFactor calculateStructureFactor(const Kernel::V3D &hkl) const = 0;
 
 protected:
+    virtual void setPosition(const Kernel::V3D &position);
+    virtual void setCell(const UnitCell &cell);
+    virtual void setSpaceGroup(const SpaceGroup_const_sptr &spaceGroup);
+
+    virtual void declareProperties() { }
+
     void recalculateEquivalentPositions();
 
     Kernel::V3D m_position;
@@ -95,6 +101,13 @@ class MANTID_GEOMETRY_DLL IScatterer
     SpaceGroup_const_sptr m_spaceGroup;
 };
 
+class MANTID_GEOMETRY_DLL UnitCellStringValidator : public Kernel::TypedValidator<std::string>
+{
+protected:
+    Kernel::IValidator_sptr clone() const;
+    virtual std::string checkValidity(const std::string &unitCellString) const;
+};
+
 } // namespace Geometry
 } // namespace Mantid
 

diff --git a/Code/Mantid/Framework/Geometry/src/Crystal/IScatterer.cpp b/Code/Mantid/Framework/Geometry/src/Crystal/IScatterer.cpp
@@ -1,20 +1,41 @@
 #include "MantidGeometry/Crystal/IScatterer.h"
 #include <stdexcept>
 
+#include <boost/regex.hpp>
+#include <boost/make_shared.hpp>
+#include "MantidKernel/ListValidator.h"
+#include "MantidGeometry/Crystal/SpaceGroupFactory.h"
+
 namespace Mantid
 {
 namespace Geometry
 {
 
+using namespace Kernel;
+
 /// Default constructor, vector is wrapped to interval [0, 1).
 IScatterer::IScatterer(const Kernel::V3D &position) :
+    PropertyManager(),
     m_position(getWrappedVector(position)),
     m_cell(),
     m_spaceGroup()
 {
     recalculateEquivalentPositions();
 }
 
+void IScatterer::initialize()
+{
+    declareProperty(new Kernel::PropertyWithValue<V3D>("Position", V3D(0.0, 0.0, 0.0)), "Position of the scatterer");
+
+    IValidator_sptr unitCellStringValidator = boost::make_shared<UnitCellStringValidator>();
+    declareProperty(new Kernel::PropertyWithValue<std::string>("UnitCell", "1.0 1.0 1.0 90.0 90.0 90.0", unitCellStringValidator), "Unit cell.");
+
+    IValidator_sptr spaceGroupValidator = boost::make_shared<ListValidator<std::string> >(SpaceGroupFactory::Instance().subscribedSpaceGroupSymbols());
+    declareProperty(new Kernel::PropertyWithValue<std::string>("SpaceGroup", "P 1", spaceGroupValidator), "Space group.");
+
+    declareProperties();
+}
+
 /// Sets the position of the scatterer to the supplied coordinates - vector is wrapped to [0, 1) and equivalent positions are recalculated.
 void IScatterer::setPosition(const Kernel::V3D &position)
 {
@@ -73,6 +94,22 @@ void IScatterer::recalculateEquivalentPositions()
     }
 }
 
+IValidator_sptr UnitCellStringValidator::clone() const
+{
+    return boost::make_shared<UnitCellStringValidator>(*this);
+}
+
+std::string UnitCellStringValidator::checkValidity(const std::string &unitCellString) const
+{
+    boost::regex unitCellRegex("((\\d+\\.\\d+\\s+){2}|(\\d+\\.\\d+\\s+){5})(\\d+\\.\\d+\\s*)");
+
+    if(!boost::regex_match(unitCellString, unitCellRegex)) {
+        return "Unit cell string is invalid.";
+    }
+
+    return "";
+}
+
 
 
 } // namespace Geometry

diff --git a/Code/Mantid/Framework/Geometry/test/IScattererTest.h b/Code/Mantid/Framework/Geometry/test/IScattererTest.h
@@ -98,6 +98,23 @@ class IScattererTest : public CxxTest::TestSuite
         TS_ASSERT_EQUALS(scatterer.getEquivalentPositions().front(), specialPosition);
     }
 
+    void testUnitCellStringValidator()
+    {
+        IValidator_sptr validator = boost::make_shared<UnitCellStringValidator>();
+
+        // non-working examples
+        TS_ASSERT_DIFFERS(validator->isValid("1.0"), "");
+        TS_ASSERT_DIFFERS(validator->isValid("1.0 1.0"), "");
+        TS_ASSERT_DIFFERS(validator->isValid("1.0 1.0 1.0 1.0"), "");
+        TS_ASSERT_DIFFERS(validator->isValid("1.0 1.0 1.0 1.0 1.0"), "");
+        TS_ASSERT_DIFFERS(validator->isValid("1.0.3 1.0 1.0"), "");
+
+        // Working examples
+        TS_ASSERT_EQUALS(validator->isValid("1.0 1.0 1.0"), "");
+        TS_ASSERT_EQUALS(validator->isValid("1.0 1.0 1.0 90.0 90.0 90.0"), "");
+        TS_ASSERT_EQUALS(validator->isValid("1.0 1.0 1.0 90.0 90.0 90.0  "), "");
+    }
+
 private:
     class MockIScatterer : public IScatterer
     {