--- trunk/src/mdParser/MDTreeParser.g	2005/12/14 18:02:28	810
+++ branches/development/src/mdParser/MDTreeParser.g	2012/06/06 02:18:54	1746
@@ -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;
 }
 {
@@ -35,17 +35,25 @@ statement : assignment
         ;
 
 statement : assignment
-          | componentblock
-          | moleculeblock
-          | zconstraintblock
-          ;
+    | 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]    
-            : 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 +61,6 @@ 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)* 
@@ -75,7 +71,28 @@ 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);}
+                  ;
   
+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);}
@@ -86,6 +103,7 @@ moleculestatement : assignment
                   | bondblock
                   | bendblock
                   | torsionblock
+                  | inversionblock
                   | rigidbodyblock
                   | cutoffgroupblock
                   | fragmentblock
@@ -107,13 +125,13 @@ 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);}
               ;
 
                       
@@ -173,6 +191,25 @@ torsionstatement
               | #(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
 {
 int index;
@@ -231,11 +268,11 @@ 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 +284,21 @@ 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());} 
         ;