Refs #11043. Adding more unit tests.

mantidproject · Mar 17, 2015 · d02719a · d02719a
1 parent 5db3ba1
commit d02719a
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Showing 3 changed files with 71 additions and 4 deletions.
diff --git a/Code/Mantid/Framework/CurveFitting/inc/MantidCurveFitting/PawleyFunction.h b/Code/Mantid/Framework/CurveFitting/inc/MantidCurveFitting/PawleyFunction.h
@@ -112,10 +112,10 @@ class PawleyFunction : public API::FunctionParameterDecorator {
 
   void setPeaks(const std::vector<Kernel::V3D> &hkls, double fwhm,
                 double height);
-
   void clearPeaks();
 
   void addPeak(const Kernel::V3D &hkl, double fwhm, double height);
+  size_t getPeakCount() const;
   API::IPeakFunction_sptr getPeakFunction(size_t i) const;
   Kernel::V3D getPeakHKL(size_t i) const;
 

diff --git a/Code/Mantid/Framework/CurveFitting/src/PawleyFunction.cpp b/Code/Mantid/Framework/CurveFitting/src/PawleyFunction.cpp
@@ -247,7 +247,12 @@ void PawleyFunction::setProfileFunction(const std::string &profileFunction) {
             m_pawleyParameterFunction->getProfileFunctionName()));
 
     newFunction->setCentre(oldFunction->centre());
-    newFunction->setFwhm(oldFunction->fwhm());
+    try {
+      newFunction->setFwhm(oldFunction->fwhm());
+    }
+    catch (...) {
+      // do nothing.
+    }
     newFunction->setHeight(oldFunction->height());
 
     m_peakProfileComposite->replaceFunction(i, newFunction);
@@ -302,14 +307,23 @@ void PawleyFunction::addPeak(const Kernel::V3D &hkl, double fwhm,
 
   peak->fix(peak->parameterIndex(
       m_pawleyParameterFunction->getProfileFunctionCenterParameterName()));
-  peak->setFwhm(fwhm);
+
+  try {
+    peak->setFwhm(fwhm);
+  }
+  catch (...) {
+    // do nothing.
+  }
+
   peak->setHeight(height);
 
   m_peakProfileComposite->addFunction(peak);
 
   m_compositeFunction->checkFunction();
 }
 
+size_t PawleyFunction::getPeakCount() const { return m_hkls.size(); }
+
 IPeakFunction_sptr PawleyFunction::getPeakFunction(size_t i) const {
   return boost::dynamic_pointer_cast<IPeakFunction>(
       m_peakProfileComposite->getFunction(i));

diff --git a/Code/Mantid/Framework/CurveFitting/test/PawleyFunctionTest.h b/Code/Mantid/Framework/CurveFitting/test/PawleyFunctionTest.h
@@ -251,6 +251,47 @@ class PawleyFunctionTest : public CxxTest::TestSuite {
     cellParametersAre(cell, 3.0, 4.0, 5.0, 101.0, 111.0, 103.0);
   }
 
+  void testSetParametersFromUnitCell() {
+    PawleyParameterFunction fn;
+    fn.initialize();
+
+    fn.setAttributeValue("CrystalSystem", "Triclinic");
+
+    UnitCell cell(3., 4., 5., 101., 111., 103.);
+
+    TS_ASSERT_THROWS_NOTHING(fn.setParametersFromUnitCell(cell));
+
+    TS_ASSERT_EQUALS(fn.getParameter("a"), 3.0);
+    TS_ASSERT_EQUALS(fn.getParameter("b"), 4.0);
+    TS_ASSERT_EQUALS(fn.getParameter("c"), 5.0);
+    TS_ASSERT_EQUALS(fn.getParameter("Alpha"), 101.0);
+    TS_ASSERT_EQUALS(fn.getParameter("Beta"), 111.0);
+    TS_ASSERT_EQUALS(fn.getParameter("Gamma"), 103.0);
+
+    fn.setAttributeValue("CrystalSystem", "Cubic");
+
+    cell.seta(5.43);
+    TS_ASSERT_THROWS_NOTHING(fn.setParametersFromUnitCell(cell));
+
+    TS_ASSERT_EQUALS(fn.getParameter("a"), 5.43);
+  }
+
+  void testProfileFunctionName() {
+    PawleyParameterFunction fn;
+    fn.initialize();
+
+    TS_ASSERT_THROWS_NOTHING(
+        fn.setAttributeValue("ProfileFunction", "Gaussian"));
+    TS_ASSERT_EQUALS(fn.getProfileFunctionName(), "Gaussian");
+
+    // works only with IPeakFunctions
+    TS_ASSERT_THROWS(fn.setAttributeValue("ProfileFunction", "Chebyshev"),
+                     std::invalid_argument);
+
+    TS_ASSERT_THROWS(fn.setAttributeValue("ProfileFunction", "DoesNotExist"),
+                     Exception::NotFoundError);
+  }
+
   void testPawleyFunctionInitialization() {
     PawleyFunction fn;
     fn.initialize();
@@ -276,12 +317,24 @@ class PawleyFunctionTest : public CxxTest::TestSuite {
   void testPawleyFunctionAddPeak() {
     PawleyFunction fn;
     fn.initialize();
+    TS_ASSERT_EQUALS(fn.getPeakCount(), 0);
 
     TS_ASSERT_EQUALS(fn.nParams(), 7);
 
     fn.addPeak(V3D(), 3.0, 4.0);
 
     TS_ASSERT_EQUALS(fn.nParams(), 10);
+    TS_ASSERT_EQUALS(fn.getPeakCount(), 1);
+  }
+
+  void testPawleyFunctionClearPeaks() {
+    PawleyFunction fn;
+    fn.initialize();
+
+    fn.addPeak(V3D(), 3.0, 4.0);
+    TS_ASSERT_EQUALS(fn.getPeakCount(), 1);
+    TS_ASSERT_THROWS_NOTHING(fn.clearPeaks());
+    TS_ASSERT_EQUALS(fn.getPeakCount(), 0);
   }
 
   void testPawleyFunctionSetProfileFunction() {
@@ -290,7 +343,7 @@ class PawleyFunctionTest : public CxxTest::TestSuite {
 
     TS_ASSERT_EQUALS(fn.nParams(), 7);
 
-    fn.addPeak(V3D(), 2.0, 3.0, 4.0);
+    fn.addPeak(V3D(), 3.0, 4.0);
 
     TS_ASSERT_EQUALS(fn.nParams(), 10);