--- trunk/src/selection/SelectionEvaluator.cpp	2005/02/07 19:13:18	295
+++ trunk/src/selection/SelectionEvaluator.cpp	2005/03/11 15:00:20	432
@@ -49,7 +49,9 @@ namespace oopse {
 namespace oopse {
 
 
-SelectionEvaluator::SelectionEvaluator(SimInfo* si) : info(si), nameFinder(info), distanceFinder(info), isLoaded_(false){
+SelectionEvaluator::SelectionEvaluator(SimInfo* si) 
+    : info(si), nameFinder(info), distanceFinder(info), indexFinder(info), isLoaded_(false){
+    
     nStuntDouble = info->getNGlobalAtoms() + info->getNRigidBodies();
 }            
 
@@ -84,9 +86,6 @@ void SelectionEvaluator::clearState() {
 }
 
 void SelectionEvaluator::clearState() {
-    //for (int i = scriptLevelMax; --i >= 0; )
-    //    stack[i].clear();
-    //scriptLevel = 0;
     error = false;
     errorMessage = "";
 }
@@ -102,7 +101,7 @@ bool SelectionEvaluator::loadScriptFileInternal(const 
 }
 
 bool SelectionEvaluator::loadScriptFileInternal(const  std::string & filename) {
-    ifstream ifs(filename.c_str());
+  std::ifstream ifs(filename.c_str());
     if (!ifs.is_open()) {
         return false;
     }
@@ -228,7 +227,6 @@ BitSet SelectionEvaluator::comparatorInstruction(const
             compareProperty(atom, bs, property, comparator, comparisonValue);
         }
         
-        //change the positions of atoms which belong to the rigidbodies
         for (rb = mol->beginRigidBody(rbIter); rb != NULL; rb = mol->nextRigidBody(rbIter)) {
             compareProperty(rb, bs, property, comparator, comparisonValue);
         }        
@@ -238,17 +236,24 @@ void SelectionEvaluator::compareProperty(StuntDouble* 
 }
 
 void SelectionEvaluator::compareProperty(StuntDouble* sd, BitSet& bs, int property, int comparator, float comparisonValue) {
-        double propertyValue;
+        double propertyValue = 0.0;
         switch (property) {
         case Token::mass:
             propertyValue = sd->getMass();
             break;
         case Token::charge:
-            return;
-            //break;
-        case Token::dipole:
-            return;
-            //break; 
+            if (sd->isAtom()){
+                Atom* atom = static_cast<Atom*>(sd);
+                propertyValue = getCharge(atom);
+            } else if (sd->isRigidBody()) {
+                RigidBody* rb = static_cast<RigidBody*>(sd);
+                RigidBody::AtomIterator ai;
+                Atom* atom;
+                for (atom = rb->beginAtom(ai); atom != NULL; atom = rb->nextAtom(ai)) {
+                    propertyValue+=  getCharge(atom);
+                }
+            }
+            break;
         default:
             unrecognizedAtomProperty(property);
         }
@@ -300,7 +305,7 @@ void SelectionEvaluator::define() {
 
     std::string variable = boost::any_cast<std::string>(statement[1].value);
 
-    variables.insert(std::make_pair(variable, expression(statement, 2)));
+    variables.insert(VariablesType::value_type(variable, expression(statement, 2)));
 }
 
 
@@ -319,7 +324,7 @@ void SelectionEvaluator::predefine(const std::string& 
             int tok = statement[1].tok;
             if (tok == Token::identifier || (tok & Token::predefinedset) == Token::predefinedset) {
                 std::string variable = boost::any_cast<std::string>(statement[1].value);
-                variables.insert(std::make_pair(variable, statement));
+                variables.insert(VariablesType::value_type(variable, statement));
 
             } else {
                 evalError("invalid variable name:" + script);
@@ -386,6 +391,7 @@ BitSet SelectionEvaluator::evaluate() {
 BitSet SelectionEvaluator::evaluate() {
     BitSet bs(nStuntDouble);
     if (isLoaded_) {
+        pc = 0;
         instructionDispatchLoop(bs);
     }
 
@@ -400,7 +406,7 @@ BitSet SelectionEvaluator::indexInstruction(const boos
         if (index < 0 || index >= bs.size()) {
             invalidIndex(index);
         } else {
-            bs.setBitOn(index);
+            bs = indexFinder.find(index);
         }
     } else if (value.type() == typeid(std::pair<int, int>)) {
         std::pair<int, int> indexRange= boost::any_cast<std::pair<int, int> >(value);
@@ -408,15 +414,36 @@ BitSet SelectionEvaluator::indexInstruction(const boos
         if (indexRange.first < 0 || indexRange.second >= bs.size()) {
             invalidIndexRange(indexRange);
         }else {
-            bs.setRangeOn(indexRange.first, indexRange.second);
+            bs = indexFinder.find(indexRange.first, indexRange.second);
         }
     }
 
     return bs;
 }
 
-//BitSet SelectionEvaluator::evaluate(int frameNo) {
-//
-//}
 
+double SelectionEvaluator::getCharge(Atom* atom) {
+    double charge =0.0;
+    AtomType* atomType = atom->getAtomType();
+    if (atomType->isCharge()) {
+        GenericData* data = atomType->getPropertyByName("Charge");
+        if (data != NULL) {
+            DoubleGenericData* doubleData= dynamic_cast<DoubleGenericData*>(data);
+
+            if (doubleData != NULL) {
+                charge = doubleData->getData();
+
+            } else {
+                    sprintf( painCave.errMsg,
+                           "Can not cast GenericData to DoubleGenericData\n");
+                    painCave.severity = OOPSE_ERROR;
+                    painCave.isFatal = 1;
+                    simError();          
+            }
+        } 
+    }
+
+    return charge;
 }
+
+}