--- trunk/src/mdParser/MDTreeParser.g	2005/12/14 18:02:28	810
+++ trunk/src/mdParser/MDTreeParser.g	2008/07/14 12:35:58	1277
@@ -15,7 +15,7 @@ options
 
 options
 {
-        k = 3;
+        k = 1;
         importVocab = MD;
 }
 {
@@ -44,8 +44,13 @@ assignment  : #(ASSIGNEQUAL id:ID constant[#id]) //{bl
 assignment  : #(ASSIGNEQUAL id:ID constant[#id]) //{blockStack.top()->assign(#ID->getText(),);}
             ;
             
-constant [ANTLR_USE_NAMESPACE(antlr)RefAST id]    
-            : signedIntOrFloat[#id]
+constant [ANTLR_USE_NAMESPACE(antlr)RefAST id]
+{
+  int ival;
+  RealType dval;
+}    
+            : 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);
@@ -53,18 +58,6 @@ constant [ANTLR_USE_NAMESPACE(antlr)RefAST id]    
                                  }
             ;
             
-signedIntOrFloat [ANTLR_USE_NAMESPACE(antlr)RefAST id]  
-{
-  int ival;
-  double dval;
-}
-              : #(MINUS (icMinus:intConst {ival = lexi_cast<int>(icMinus->getText()); ival = -ival; blockStack.top()->assign(id->getText(), ival);}
-                | fcMinus:floatConst) {dval = lexi_cast<double>(fcMinus->getText());dval = -dval;  blockStack.top()->assign(id->getText(), dval);}
-                ) 
-              | (ic:intConst {ival = lexi_cast<int>(ic->getText()); blockStack.top()->assign(id->getText(), ival);}
-                | fc:floatConst {dval = lexi_cast<double>(fc->getText());  blockStack.top()->assign(id->getText(), dval);} 
-                )               
-              ;
 
 componentblock  : #(COMPONENT  {Component* currComponet = new Component(); blockStack.push(currComponet);}
                       (assignment)* 
@@ -86,6 +79,7 @@ moleculestatement : assignment
                   | bondblock
                   | bendblock
                   | torsionblock
+                  | inversionblock
                   | rigidbodyblock
                   | cutoffgroupblock
                   | fragmentblock
@@ -107,13 +101,13 @@ atomstatement 
 
 atomstatement 
 {
-vector<double> dvec;
+vector<RealType> dvec;
 AtomStamp* currAtomStamp =  static_cast<AtomStamp*>(blockStack.top());
 
 }
               : assignment
-              | #(POSITION dvec=signedNumberTuple) {currAtomStamp->setPosition(dvec);}
-              | #(ORIENTATION dvec=signedNumberTuple) {currAtomStamp->setOrientation(dvec);}
+              | #(POSITION dvec=doubleNumberTuple) {currAtomStamp->setPosition(dvec);}
+              | #(ORIENTATION dvec=doubleNumberTuple) {currAtomStamp->setOrientation(dvec);}
               ;
 
                       
@@ -171,6 +165,25 @@ 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
@@ -231,11 +244,11 @@ fragmentstatement : assignment
 
 
               
-signedNumberTuple   returns [vector<double> dvec]
+doubleNumberTuple   returns [vector<RealType> dvec]
 {
-  double dval;
+  RealType dval;
 }
-              : (dval=signedNumber {dvec.push_back(dval);})+  
+              : (dval=doubleNumber {dvec.push_back(dval);})+  
               ;
                           
 inttuple  returns [vector<int> ivec]
@@ -247,22 +260,21 @@ intConst returns [int ival]
 
 protected
 intConst returns [int ival]
-        : oival:OCTALINT {ival = lexi_cast<int>(oival->getText());} 
-        | dival:DECIMALINT {ival = lexi_cast<int>(dival->getText());}
-        | hival:HEXADECIMALINT {ival = lexi_cast<int>(hival->getText());}
+        : i1:NUM_INT {ival = lexi_cast<int>(i1->getText());} 
+        | i2:NUM_LONG {ival = lexi_cast<int>(i2->getText());}
         ;
 
 protected
-signedNumber  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:FLOATONE {dval = lexi_cast<double>(d1->getText());}  
-        | d2:FLOATTWO {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());} 
         ;