fix for boundary handling in Levenberg-M.

There was a problem where the optimisation got stuck as soon as it hit a parameter boundary. This is now fixed, but a more robust handling of small numerical differences is still needed.

Author: sahle

copasi/optimization/COptMethodLevenbergMarquardt.cpp

@@ -184,6 +184,9 @@ bool COptMethodLevenbergMarquardt::optimise()
 
   size_t Stalled = 0;
 
+  mpParentTask->output(COutputInterface::MONITORING);
+
+  
   for (mIteration = 0; (mIteration < mIterationLimit) && (nu != 0.0) && proceed();
        mIteration++, Stalled++)
     {
@@ -283,7 +286,7 @@ bool COptMethodLevenbergMarquardt::optimise()
 
               COptItem & OptItem = *OptItemList[i];
               pointInParameterDomain &= OptItem.setItemValue(mCurrent[i], COptItem::CheckPolicyFlag::All);
-              pointInParameterDomain &= (Target == mCurrent[i]);
+              pointInParameterDomain &= ((Target == mCurrent[i]) || abs(mCurrent[i]-mBest[i])< 1e-10 );
 
               if (!pointInParameterDomain)
                 {

copasi/parameterFitting/CFitItem.h

@@ -124,7 +124,7 @@ class CFitItem : public COptItem
   friend std::ostream &operator<<(std::ostream &os, const CFitItem & o);
 
   /**
-   * Set the local value.
+   * Set the local value. The value reference is changed if it is out of bounds
    * @param C_FLOAT64 & value
    * @param const CheckPolicyFlag & policy
    * @return bool success