--- trunk/OOPSE/libmdtools/ConstraintAlgorithm.cpp	2004/06/04 03:15:31	1234
+++ trunk/OOPSE/libmdtools/ConstraintAlgorithm.cpp	2004/08/23 15:11:36	1452
@@ -2,14 +2,16 @@
 #include "ConstraintPair.hpp"
 #include "SimInfo.hpp"
 #include "ConstraintManager.hpp"
+#include "simError.h"
+#include "Vector3d.hpp"
 
 ////////////////////////////////////////////////////////////////////////////////
 //Implementation of ConstraintAlgorithm
 ////////////////////////////////////////////////////////////////////////////////
 ConstraintAlgorithm::ConstraintAlgorithm(SimInfo* rhs){
   info = rhs;
-  cpIter = info->consMan->creatPairIterator();
-  ceIter = info->consMan->creatElementIterator();  
+  cpIter = info->consMan->createPairIterator();
+  ceIter = info->consMan->createElementIterator();  
 }
 
 ConstraintAlgorithm::~ConstraintAlgorithm(){
@@ -27,7 +29,7 @@ void ConstraintAlgorithm::doConstrain(){
 }
 
 void ConstraintAlgorithm::doConstrain(){
-  const int maxConsIteration = 30;
+  const int maxConsIteration = 20;
   bool done;
   int iteration;
   int maxIteration;
@@ -36,7 +38,7 @@ void ConstraintAlgorithm::doConstrain(){
   ConstraintPair* consPair;
   int exeStatus;
 
-
+  error = false;
   
   for(ceIter->first(); !ceIter->isEnd(); ceIter->next()){
     consElem =  ceIter->currentItem();
@@ -61,8 +63,13 @@ void ConstraintAlgorithm::doConstrain(){
         exeStatus = doConstrainPair(consPair);
 
       switch(exeStatus){
+        case consExceedMaxIter:
+          //cerr << "ConstraintAlgorithm::doConstrain() Error: can not constrain the bond within maximum iteration" << endl;         
+          error = true;
+          
         case consFail:
-          cerr << "ConstraintAlgorithm::doConstrain() Error: Constraint Fail" << endl;          
+          //cerr << "ConstraintAlgorithm::doConstrain() Error: Constraint Fail" << endl;         
+          error = true;
           break;
         case consSuccess:
           //constrain the pair by moving two elements
@@ -76,13 +83,16 @@ void ConstraintAlgorithm::doConstrain(){
         case consPairHandlerFail:
           //can not found call back functor for constraint pair 
           cerr << "ConstraintAlgorithm::doConstrain() Error: can not found callback functor for constraint pair " << endl;
+          error = true;
           break;          
         case consElemHandlerFail:
           //can not found callback functor for constraint element 
           cerr << "ConstraintAlgorithm::doConstrain() Error: can not found callback functor for constraint element " << endl;
+          error = true;
           break;
         default:          
           cerr << "ConstraintAlgorithm::doConstrain() Error: unrecognized status" << endl;
+          error = true;
           break;
       }      
     }//end for(iter->first())
@@ -95,7 +105,15 @@ void ConstraintAlgorithm::doConstrain(){
 
     iteration++;
   }//end while
-  
+
+  //if (!done){
+  //  error = true;
+  //  sprintf(painCave.errMsg,
+  //          "Constraint failure in constrainB, too many iterations: %d\n",
+  //          iteration);
+  //  painCave.isFatal = 1;
+  //  simError();    
+  //}
 }
 
 
@@ -142,7 +160,7 @@ ConsAlgoFramework::ConsAlgoFramework(SimInfo* rhs){
 //Implementation of ConsAlgoFramework
 ////////////////////////////////////////////////////////////////////////////////
 ConsAlgoFramework::ConsAlgoFramework(SimInfo* rhs){
-  ceIter = rhs->consMan->creatElementIterator();  
+  ceIter = rhs->consMan->createElementIterator();  
 }
 
 ConsAlgoFramework::~ConsAlgoFramework(){
@@ -151,9 +169,12 @@ void ConsAlgoFramework::doPreConstraint(){
 
 void ConsAlgoFramework::doPreConstraint(){
   ConstraintElement* consElem;
+  Vector3d zeroVector(0.0, 0.0, 0.0);
   
   for(ceIter->first(); !ceIter->isEnd(); ceIter->next()){
     consElem =  ceIter->currentItem();
     consElem->saveOldState();
+    consElem->setConsForce(zeroVector);
+    consElem->setConsTorque(zeroVector);
   }
 }