--- trunk/src/mdParser/MDTreeParser.g	2005/12/16 02:57:00	814
+++ branches/development/src/mdParser/MDTreeParser.g	2010/07/09 23:08:25	1465
@@ -4,7 +4,7 @@ using namespace std;
 #include "io/Globals.hpp"
 #include "utils/StringUtils.hpp"
 using namespace std;
-using namespace oopse;
+using namespace OpenMD;
 }
 options
   {
@@ -15,7 +15,7 @@ options
 
 options
 {
-        k = 3;
+        k = 1;
         importVocab = MD;
 }
 {
@@ -38,6 +38,7 @@ statement : assignment
           | componentblock
           | moleculeblock
           | zconstraintblock
+          | restraintblock
           ;
 
 
@@ -47,7 +48,7 @@ constant [ANTLR_USE_NAMESPACE(antlr)RefAST id]
 constant [ANTLR_USE_NAMESPACE(antlr)RefAST id]
 {
   int ival;
-  double dval;
+  RealType dval;
 }    
             : ival=intConst {blockStack.top()->assign(id->getText(), ival);}
             | dval=floatConst {blockStack.top()->assign(id->getText(), dval);}
@@ -68,6 +69,11 @@ zconstraintblock  : #(ZCONSTRAINT {ZConsStamp* currZCo
                         (assignment)* 
                          ENDBLOCK ) {blockStack.top()->validate();blockStack.pop(); currConf->addZConsStamp(currZConsStamp);}
                   ;
+
+restraintblock  : #(RESTRAINT {RestraintStamp* currRestraintStamp = new RestraintStamp(); blockStack.push(currRestraintStamp);}
+                        (assignment)* 
+                         ENDBLOCK ) {blockStack.top()->validate();blockStack.pop(); currConf->addRestraintStamp(currRestraintStamp);}
+                  ;
   
 moleculeblock : #(MOLECULE {MoleculeStamp* currMoleculeStamp = new MoleculeStamp(); blockStack.push(currMoleculeStamp);}
                     (moleculestatement)* 
@@ -79,6 +85,7 @@ moleculestatement : assignment
                   | bondblock
                   | bendblock
                   | torsionblock
+                  | inversionblock
                   | rigidbodyblock
                   | cutoffgroupblock
                   | fragmentblock
@@ -100,7 +107,7 @@ atomstatement 
 
 atomstatement 
 {
-vector<double> dvec;
+vector<RealType> dvec;
 AtomStamp* currAtomStamp =  static_cast<AtomStamp*>(blockStack.top());
 
 }
@@ -164,6 +171,25 @@ torsionstatement
 }  
               : assignment
               | #(MEMBERS ivec=inttuple) {currTorsionStamp->setMembers(ivec);}
+              ;
+
+inversionblock  : #(INVERSION {InversionStamp* currInversionStamp = new InversionStamp(); blockStack.push(currInversionStamp);}
+                   (inversionstatement)*
+                    ENDBLOCK )  {
+                                  blockStack.top()->validate();
+                                  blockStack.pop(); 
+                                  MoleculeStamp* currMoleculeStamp = static_cast<MoleculeStamp*>(blockStack.top());
+                                  currMoleculeStamp->addInversionStamp(currInversionStamp); 
+                                }
+          ;
+
+inversionstatement
+{
+  int icent;
+  InversionStamp* currInversionStamp = static_cast<InversionStamp*>(blockStack.top());
+}  
+              : assignment
+              | #(CENTER icent=intConst) {currInversionStamp->setCenter(icent);}
               ;
 
 rigidbodyblock
@@ -224,9 +250,9 @@ fragmentstatement : assignment
 
 
               
-doubleNumberTuple   returns [vector<double> dvec]
+doubleNumberTuple   returns [vector<RealType> dvec]
 {
-  double dval;
+  RealType dval;
 }
               : (dval=doubleNumber {dvec.push_back(dval);})+  
               ;
@@ -245,16 +271,16 @@ protected
         ;
 
 protected
-doubleNumber  returns [double dval]
+doubleNumber  returns [RealType dval]
               : 
-                ic:intConst {dval = lexi_cast<double>(ic->getText());}
-                | fc:floatConst {dval = lexi_cast<double>(fc->getText());} 
+                ic:intConst {dval = lexi_cast<RealType>(ic->getText());}
+                | fc:floatConst {dval = lexi_cast<RealType>(fc->getText());} 
                                
               ;
               
 protected
-floatConst returns [double dval]
-        : d1:NUM_FLOAT {dval = lexi_cast<double>(d1->getText());}  
-        | d2:NUM_DOUBLE {dval = lexi_cast<double>(d2->getText());} 
+floatConst returns [RealType dval]
+        : d1:NUM_FLOAT {dval = lexi_cast<RealType>(d1->getText());}  
+        | d2:NUM_DOUBLE {dval = lexi_cast<RealType>(d2->getText());} 
         ;