--- trunk/src/mdParser/MDTreeParser.g	2009/11/25 20:02:06	1390
+++ trunk/src/mdParser/MDTreeParser.g	2014/04/05 20:56:01	1979
@@ -35,29 +35,38 @@ statement : assignment
         ;
 
 statement : assignment
-          | componentblock
-          | moleculeblock
-          | zconstraintblock
-          | restraintblock
-          ;
+    | componentblock
+    | moleculeblock
+    | zconstraintblock
+    | restraintblock
+    | flucqblock
+    | rnemdblock
+    | minimizerblock
+    ;
 
-
 assignment  : #(ASSIGNEQUAL id:ID constant[#id]) //{blockStack.top()->assign(#ID->getText(),);}
             ;
             
 constant [ANTLR_USE_NAMESPACE(antlr)RefAST id]
 {
-  int ival;
-  RealType dval;
+    int ival;
+    RealType dval, x, y, z;
+    Vector3d dvec;
 }    
-            : ival=intConst {blockStack.top()->assign(id->getText(), ival);}
-            | dval=floatConst {blockStack.top()->assign(id->getText(), dval);}
-            | str1:ID {blockStack.top()->assign(id->getText(), str1->getText());}
-            | str2:StringLiteral { std::string s =  str2->getText();
-                                   s = s.substr(1, s.length()-2);
-                                   blockStack.top()->assign(id->getText(),s);
-                                 }
-            ;
+    : ival=intConst {blockStack.top()->assign(id->getText(), ival);}
+    | dval=floatConst {blockStack.top()->assign(id->getText(), dval);}
+    | #(LPAREN x=doubleNumber COMMA y=doubleNumber COMMA z=doubleNumber RPAREN) 
+        {   dvec.x() = x; 
+            dvec.y() = y; 
+            dvec.z() = z; 
+            blockStack.top()->assign(id->getText(), dvec);
+        }
+    | str1:ID {blockStack.top()->assign(id->getText(), str1->getText());}
+    | str2:StringLiteral {std::string s =  str2->getText();
+            s = s.substr(1, s.length()-2);
+            blockStack.top()->assign(id->getText(),s);
+        }
+    ;
             
 
 componentblock  : #(COMPONENT  {Component* currComponet = new Component(); blockStack.push(currComponet);}
@@ -75,6 +84,22 @@ restraintblock  : #(RESTRAINT {RestraintStamp* currRes
                          ENDBLOCK ) {blockStack.top()->validate();blockStack.pop(); currConf->addRestraintStamp(currRestraintStamp);}
                   ;
   
+flucqblock  : #(FLUCQ  {FluctuatingChargeParameters* flucQpars = new FluctuatingChargeParameters(); blockStack.push(flucQpars);}
+                      (assignment)* 
+                       ENDBLOCK ) {blockStack.top()->validate();blockStack.pop(); currConf->addFluctuatingChargeParameters(flucQpars);}
+                ;
+
+rnemdblock  : #(RNEMD  {RNEMDParameters* rnemdPars = new RNEMDParameters(); blockStack.push(rnemdPars);}
+                      (assignment)* 
+                       ENDBLOCK ) {blockStack.top()->validate();blockStack.pop(); currConf->addRNEMDParameters(rnemdPars);}
+                ;
+
+minimizerblock  : #(MINIMIZER  {MinimizerParameters* minimizerPars = new MinimizerParameters(); blockStack.push(minimizerPars);}
+                      (assignment)* 
+                       ENDBLOCK ) {blockStack.top()->validate();blockStack.pop(); currConf->addMinimizerParameters(minimizerPars);}
+                ;
+
+
 moleculeblock : #(MOLECULE {MoleculeStamp* currMoleculeStamp = new MoleculeStamp(); blockStack.push(currMoleculeStamp);}
                     (moleculestatement)* 
                      ENDBLOCK ) {blockStack.top()->validate(); blockStack.pop(); currConf->addMoleculeStamp(currMoleculeStamp);}
@@ -89,6 +114,7 @@ moleculestatement : assignment
                   | rigidbodyblock
                   | cutoffgroupblock
                   | fragmentblock
+                  | constraintblock
                   ;
 
 atomblock 
@@ -186,10 +212,12 @@ inversionstatement
 inversionstatement
 {
   int icent;
+  vector<int> ivec;
   InversionStamp* currInversionStamp = static_cast<InversionStamp*>(blockStack.top());
 }  
               : assignment
               | #(CENTER icent=intConst) {currInversionStamp->setCenter(icent);}
+              | #(SATELLITES ivec=inttuple) {currInversionStamp->setSatellites(ivec);}
               ;
 
 rigidbodyblock
@@ -246,41 +274,57 @@ fragmentstatement : assignment
               ;
 
 fragmentstatement : assignment
-              ;
+    ;
+
+constraintblock : #(CONSTRAINT {ConstraintStamp* currConstraintStamp = new ConstraintStamp(); blockStack.push(currConstraintStamp);}
+                (constraintstatement)* 
+                 ENDBLOCK )  {
+                                blockStack.pop(); 
+                                MoleculeStamp* currMoleculeStamp = static_cast<MoleculeStamp*>(blockStack.top());
+                                currMoleculeStamp->addConstraintStamp(currConstraintStamp); 
+                             }
+          ;
 
-
-              
-doubleNumberTuple   returns [vector<RealType> dvec]
+constraintstatement 
 {
-  RealType dval;
+  vector<int> ivec;
+  ConstraintStamp* currConstraintStamp = static_cast<ConstraintStamp*>(blockStack.top());
 }
-              : (dval=doubleNumber {dvec.push_back(dval);})+  
+              : assignment
+              | #(MEMBERS ivec=inttuple) {currConstraintStamp->setMembers(ivec);}
               ;
-                          
-inttuple  returns [vector<int> ivec]
+
+              
+doubleNumberTuple returns [vector<RealType> dvec]
 {
-  int ival;
+    RealType dval;
+}   
+    : (dval=doubleNumber {dvec.push_back(dval);})+  
+    ;
+
+
+inttuple returns [vector<int> ivec]
+{
+    int ival;
 }
-              : (ival=intConst {ivec.push_back(ival);})+ 
-              ;
+    : (ival=intConst {ivec.push_back(ival);})+ 
+    ;
 
 protected
 intConst returns [int ival]
-        : i1:NUM_INT {ival = lexi_cast<int>(i1->getText());} 
-        | i2:NUM_LONG {ival = lexi_cast<int>(i2->getText());}
-        ;
+    : i1:NUM_INT {ival = lexi_cast<int>(i1->getText());} 
+    | i2:NUM_LONG {ival = lexi_cast<int>(i2->getText());}
+    ;
 
 protected
-doubleNumber  returns [RealType dval]
-              : 
-                ic:intConst {dval = lexi_cast<RealType>(ic->getText());}
-                | fc:floatConst {dval = lexi_cast<RealType>(fc->getText());} 
-                               
-              ;
+doubleNumber returns [RealType dval]
+    : ic:intConst {dval = lexi_cast<RealType>(ic->getText());}
+    | fc:floatConst {dval = lexi_cast<RealType>(fc->getText());}         
+    ;
               
 protected
 floatConst returns [RealType dval]
-        : d1:NUM_FLOAT {dval = lexi_cast<RealType>(d1->getText());}  
-        | d2:NUM_DOUBLE {dval = lexi_cast<RealType>(d2->getText());} 
-        ;
-        
+    : d1:NUM_FLOAT {dval = lexi_cast<RealType>(d1->getText());}  
+    | d2:NUM_DOUBLE {dval = lexi_cast<RealType>(d2->getText());} 
+    ;
+