Re #10031. Throw exception if not converged.

mantidproject · Sep 30, 2014 · a1c750e · a1c750e
1 parent 70ae491
commit a1c750e
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Showing 3 changed files with 31 additions and 10 deletions.
diff --git a/Code/Mantid/Framework/CurveFitting/src/FABADAMinimizer.cpp b/Code/Mantid/Framework/CurveFitting/src/FABADAMinimizer.cpp
@@ -105,6 +105,7 @@ FABADAMinimizer::~FABADAMinimizer()
 
     if ( m_numberIterations > maxIterations )
     {
+        g_log.warning() << "MaxIterations property reduces the required number of iterations (" << m_numberIterations << ")." << std::endl;
         m_numberIterations = maxIterations;
     }
 
@@ -362,11 +363,6 @@ FABADAMinimizer::~FABADAMinimizer()
         {
             return true;
         }
-        else if (m_counter == m_numberIterations - 1)
-        {
-            m_converged = true;
-            return true;
-        }
         // If there is not convergence, but it has been made convergenceMaxIterations iterations, stop and throw the error.
         else
         {

diff --git a/Code/Mantid/Framework/CurveFitting/src/Fit.cpp b/Code/Mantid/Framework/CurveFitting/src/Fit.cpp
@@ -118,7 +118,7 @@ namespace CurveFitting
       auto &properties = minimizer.getProperties();
       for(auto prop = properties.begin(); prop != properties.end(); ++prop)
       {
-          if ( (**prop).direction() == Kernel::Direction::Output )
+          if ( (**prop).direction() == Kernel::Direction::Output && (**prop).isValid() == "" )
           {
               Kernel::Property* property = (**prop).clone();
               declareProperty( property );

diff --git a/Code/Mantid/Framework/CurveFitting/test/FABADAMinimizerTest.h b/Code/Mantid/Framework/CurveFitting/test/FABADAMinimizerTest.h
@@ -34,7 +34,7 @@ class FABADAMinimizerTest : public CxxTest::TestSuite
     auto ws2 = createTestWorkspace(histogram);
 
     API::IFunction_sptr fun(new ExpDecay);
-    fun->setParameter("Height",1.);
+    fun->setParameter("Height",8.);
     fun->setParameter("Lifetime",1.0);
 
     Fit fit;
@@ -46,13 +46,13 @@ class FABADAMinimizerTest : public CxxTest::TestSuite
     fit.setProperty("WorkspaceIndex",0);
     fit.setProperty("CreateOutput",true);
     fit.setProperty("MaxIterations",100000);
-    fit.setProperty("Minimizer", "FABADA,ChainLength=5000,ConvergenceCriteria = 0.01, OutputWorkspaceConverged=conv");
+    fit.setProperty("Minimizer", "FABADA,ChainLength=5000,ConvergenceCriteria = 0.1, OutputWorkspaceConverged=conv");
 
     TS_ASSERT_THROWS_NOTHING( fit.execute() );
 
     TS_ASSERT(fit.isExecuted());
 
-    TS_ASSERT_DELTA( fun->getParameter("Height"), 10.0, 1e-2);
+    TS_ASSERT_DELTA( fun->getParameter("Height"), 10.0, 1e-1);
     TS_ASSERT_DELTA( fun->getParameter("Lifetime"), 0.5, 1e-2);
 
     TS_ASSERT_EQUALS(fit.getPropertyValue("OutputStatus"), "success");
@@ -107,7 +107,7 @@ class FABADAMinimizerTest : public CxxTest::TestSuite
     TS_ASSERT_EQUALS(wsChain->getNumberHistograms(),n+1);
 
     const Mantid::MantidVec& Xchain = wsChain->dataX(0);
-    TS_ASSERT_EQUALS(Xchain.size(), 5001);
+    TS_ASSERT_EQUALS(Xchain.size(), 6881);
     TS_ASSERT_EQUALS(Xchain[5000], 5000);
 
     TS_ASSERT(Xconv.size() < Xchain.size());
@@ -132,6 +132,31 @@ class FABADAMinimizerTest : public CxxTest::TestSuite
 
   }
 
+  void test_low_MaxIterations()
+  {
+    const bool histogram(false);
+    auto ws2 = createTestWorkspace(histogram);
+
+    API::IFunction_sptr fun(new ExpDecay);
+    fun->setParameter("Height",1.);
+    fun->setParameter("Lifetime",1.0);
+
+    Fit fit;
+    fit.initialize();
+
+    fit.setRethrows(true);
+    fit.setProperty("Function",fun);
+    fit.setProperty("InputWorkspace",ws2);
+    fit.setProperty("WorkspaceIndex",0);
+    fit.setProperty("CreateOutput",true);
+    fit.setProperty("MaxIterations",10);
+    fit.setProperty("Minimizer", "FABADA,ChainLength=5000,ConvergenceCriteria = 0.01, OutputWorkspaceConverged=conv");
+
+    TS_ASSERT_THROWS( fit.execute(), std::runtime_error );
+
+    TS_ASSERT( !fit.isExecuted() );
+
+  }
 private:
 
   API::MatrixWorkspace_sptr createTestWorkspace(const bool histogram)