--- trunk/src/io/DumpReader.cpp	2005/04/15 22:04:00	507
+++ trunk/src/io/DumpReader.cpp	2006/08/30 20:33:44	1025
@@ -1,641 +1,531 @@
-/*
- * Copyright (c) 2005 The University of Notre Dame. All Rights Reserved.
- *
- * The University of Notre Dame grants you ("Licensee") a
- * non-exclusive, royalty free, license to use, modify and
- * redistribute this software in source and binary code form, provided
- * that the following conditions are met:
- *
- * 1. Acknowledgement of the program authors must be made in any
- *    publication of scientific results based in part on use of the
- *    program.  An acceptable form of acknowledgement is citation of
- *    the article in which the program was described (Matthew
- *    A. Meineke, Charles F. Vardeman II, Teng Lin, Christopher
- *    J. Fennell and J. Daniel Gezelter, "OOPSE: An Object-Oriented
- *    Parallel Simulation Engine for Molecular Dynamics,"
- *    J. Comput. Chem. 26, pp. 252-271 (2005))
- *
- * 2. Redistributions of source code must retain the above copyright
- *    notice, this list of conditions and the following disclaimer.
- *
- * 3. Redistributions in binary form must reproduce the above copyright
- *    notice, this list of conditions and the following disclaimer in the
- *    documentation and/or other materials provided with the
- *    distribution.
- *
- * This software is provided "AS IS," without a warranty of any
- * kind. All express or implied conditions, representations and
- * warranties, including any implied warranty of merchantability,
- * fitness for a particular purpose or non-infringement, are hereby
- * excluded.  The University of Notre Dame and its licensors shall not
- * be liable for any damages suffered by licensee as a result of
- * using, modifying or distributing the software or its
- * derivatives. In no event will the University of Notre Dame or its
- * licensors be liable for any lost revenue, profit or data, or for
- * direct, indirect, special, consequential, incidental or punitive
- * damages, however caused and regardless of the theory of liability,
- * arising out of the use of or inability to use software, even if the
- * University of Notre Dame has been advised of the possibility of
- * such damages.
- */
- 
-#define _LARGEFILE_SOURCE64
-#define _FILE_OFFSET_BITS 64
-
-#include <sys/types.h>
-#include <sys/stat.h>
-
-#include <iostream>
-#include <math.h>
-
-#include <stdio.h>
-#include <stdlib.h>
-#include <string.h>
-
-#include "io/DumpReader.hpp"
-#include "primitives/Molecule.hpp"
-#include "utils/simError.h"
-#include "utils/MemoryUtils.hpp"
-#include "utils/StringTokenizer.hpp"
-
-#ifdef IS_MPI
-
-#include <mpi.h>
-#define TAKE_THIS_TAG_CHAR 0
-#define TAKE_THIS_TAG_INT 1
-
-#endif // is_mpi
-
-
-namespace oopse {
+/* 
+ * Copyright (c) 2005 The University of Notre Dame. All Rights Reserved. 
+ * 
+ * The University of Notre Dame grants you ("Licensee") a 
+ * non-exclusive, royalty free, license to use, modify and 
+ * redistribute this software in source and binary code form, provided 
+ * that the following conditions are met: 
+ * 
+ * 1. Acknowledgement of the program authors must be made in any 
+ *    publication of scientific results based in part on use of the 
+ *    program.  An acceptable form of acknowledgement is citation of 
+ *    the article in which the program was described (Matthew 
+ *    A. Meineke, Charles F. Vardeman II, Teng Lin, Christopher 
+ *    J. Fennell and J. Daniel Gezelter, "OOPSE: An Object-Oriented 
+ *    Parallel Simulation Engine for Molecular Dynamics," 
+ *    J. Comput. Chem. 26, pp. 252-271 (2005)) 
+ * 
+ * 2. Redistributions of source code must retain the above copyright 
+ *    notice, this list of conditions and the following disclaimer. 
+ * 
+ * 3. Redistributions in binary form must reproduce the above copyright 
+ *    notice, this list of conditions and the following disclaimer in the 
+ *    documentation and/or other materials provided with the 
+ *    distribution. 
+ * 
+ * This software is provided "AS IS," without a warranty of any 
+ * kind. All express or implied conditions, representations and 
+ * warranties, including any implied warranty of merchantability, 
+ * fitness for a particular purpose or non-infringement, are hereby 
+ * excluded.  The University of Notre Dame and its licensors shall not 
+ * be liable for any damages suffered by licensee as a result of 
+ * using, modifying or distributing the software or its 
+ * derivatives. In no event will the University of Notre Dame or its 
+ * licensors be liable for any lost revenue, profit or data, or for 
+ * direct, indirect, special, consequential, incidental or punitive 
+ * damages, however caused and regardless of the theory of liability, 
+ * arising out of the use of or inability to use software, even if the 
+ * University of Notre Dame has been advised of the possibility of 
+ * such damages. 
+ */ 
   
-  DumpReader::DumpReader(SimInfo* info, const std::string& filename)
-    : info_(info), filename_(filename), isScanned_(false), nframes_(0) {
+#define _LARGEFILE_SOURCE64 
+#define _FILE_OFFSET_BITS 64 
+ 
+#include <sys/types.h> 
+#include <sys/stat.h> 
+ 
+#include <iostream> 
+#include <math.h> 
+ 
+#include <stdio.h> 
+#include <stdlib.h> 
+#include <string.h> 
+ 
+#include "io/DumpReader.hpp" 
+#include "primitives/Molecule.hpp" 
+#include "utils/simError.h" 
+#include "utils/MemoryUtils.hpp" 
+#include "utils/StringTokenizer.hpp" 
+ 
+#ifdef IS_MPI 
+ 
+#include <mpi.h> 
+#define TAKE_THIS_TAG_CHAR 0 
+#define TAKE_THIS_TAG_INT 1 
+ 
+#endif // is_mpi 
+ 
+ 
+namespace oopse { 
+   
+  DumpReader::DumpReader(SimInfo* info, const std::string& filename) 
+    : info_(info), filename_(filename), isScanned_(false), nframes_(0) { 
     
-#ifdef IS_MPI
+#ifdef IS_MPI 
     
-      if (worldRank == 0) {
-#endif
+    if (worldRank == 0) { 
+#endif 
       
-	inFile_ = fopen(filename_.c_str(), "r");
+      inFile_ = new std::ifstream(filename_.c_str()); 
       
-	if (inFile_ == NULL) {
-	  sprintf(painCave.errMsg, "DumpReader: Cannot open file: %s\n", filename_.c_str());
-	  painCave.isFatal = 1;
-	  simError();
-	}
+      if (inFile_->fail()) { 
+	sprintf(painCave.errMsg, 
+		"DumpReader: Cannot open file: %s\n", 
+		filename_.c_str()); 
+	painCave.isFatal = 1; 
+	simError(); 
+      } 
       
-#ifdef IS_MPI
+#ifdef IS_MPI 
       
-      }
+    } 
     
-      strcpy(checkPointMsg, "Dump file opened for reading successfully.");
-      MPIcheckPoint();
+    strcpy(checkPointMsg, "Dump file opened for reading successfully."); 
+    MPIcheckPoint(); 
     
-#endif
+#endif 
     
-      return;
-    }
+    return; 
+  } 
   
-  DumpReader::~DumpReader() {
+  DumpReader::~DumpReader() { 
     
-#ifdef IS_MPI
+#ifdef IS_MPI 
     
-    if (worldRank == 0) {
-#endif
+    if (worldRank == 0) { 
+#endif 
       
-      int error;
-      error = fclose(inFile_);
+      delete inFile_; 
       
-      if (error) {
-        sprintf(painCave.errMsg, "DumpReader Error: Error closing %s\n", filename_.c_str());
-        painCave.isFatal = 1;            
-        simError();
-      }
+#ifdef IS_MPI 
       
-      MemoryUtils::deletePointers(framePos_);
-      
-#ifdef IS_MPI
-      
-    }
+    } 
     
-    strcpy(checkPointMsg, "Dump file closed successfully.");
-    MPIcheckPoint();
+    strcpy(checkPointMsg, "Dump file closed successfully."); 
+    MPIcheckPoint(); 
     
-#endif
+#endif 
     
-    return;
-  }
+    return; 
+  } 
   
-  int DumpReader::getNFrames(void) {
+  int DumpReader::getNFrames(void) { 
+     
+    if (!isScanned_) 
+      scanFile(); 
+     
+    return nframes_; 
+  } 
+   
+  void DumpReader::scanFile(void) { 
+    int lineNo = 0; 
+    std::streampos prevPos;
+    std::streampos  currPos; 
     
-    if (!isScanned_)
-      scanFile();
+#ifdef IS_MPI 
     
-    return nframes_;
-  }
-  
-  void DumpReader::scanFile(void) {
-    int i, j;
-    int lineNum = 0;
-    char readBuffer[maxBufferSize];
-    fpos_t * currPos;
-    
-#ifdef IS_MPI
-    
-    if (worldRank == 0) {
-#endif // is_mpi
+    if (worldRank == 0) { 
+#endif // is_mpi 
       
-      rewind(inFile_);
-      
-      currPos = new fpos_t;
-      fgetpos(inFile_, currPos);
-      fgets(readBuffer, sizeof(readBuffer), inFile_);
-      lineNum++;
-      
-      if (feof(inFile_)) {
-        sprintf(painCave.errMsg,
-                "DumpReader Error: File \"%s\" ended unexpectedly at line %d\n",
-                filename_.c_str(),
-                lineNum);
-        painCave.isFatal = 1;
-        simError();
-      }
-      
-      while (!feof(inFile_)) {
-        framePos_.push_back(currPos);
-        
-        i = atoi(readBuffer);
-        
-        fgets(readBuffer, sizeof(readBuffer), inFile_);
-        lineNum++;
-        
-        if (feof(inFile_)) {
-          sprintf(painCave.errMsg,
-                  "DumpReader Error: File \"%s\" ended unexpectedly at line %d\n",
-                  filename_.c_str(),
-                  lineNum);
-          painCave.isFatal = 1;
-          simError();
-        }
-        
-        for(j = 0; j < i; j++) {
-          fgets(readBuffer, sizeof(readBuffer), inFile_);
-          lineNum++;
+      currPos = inFile_->tellg();
+      prevPos = currPos;
+      bool foundOpenSnapshotTag = false;
+      bool foundClosedSnapshotTag = false;
+      while(inFile_->getline(buffer, bufferSize)) {
+        ++lineNo;
+        
+        std::string line = buffer;
+        currPos = inFile_->tellg(); 
+        if (line.find("<Snapshot>")!= std::string::npos) {
+          if (foundOpenSnapshotTag) {
+            sprintf(painCave.errMsg, 
+                    "DumpReader:<Snapshot> is multiply nested at line %d in %s \n", lineNo, 
+                    filename_.c_str()); 
+            painCave.isFatal = 1; 
+            simError();           
+          }
+          foundOpenSnapshotTag = true;
+          foundClosedSnapshotTag = false;
+          framePos_.push_back(prevPos);
           
-          if (feof(inFile_)) {
-            sprintf(painCave.errMsg,
-                    "DumpReader Error: File \"%s\" ended unexpectedly at line %d,"
-                    " with atom %d\n", filename_.c_str(),
-                    lineNum,
-                    j);
-            
-            painCave.isFatal = 1;
-            simError();
+        } else if (line.find("</Snapshot>") != std::string::npos){
+          if (!foundOpenSnapshotTag) {
+            sprintf(painCave.errMsg, 
+                    "DumpReader:</Snapshot> appears before <Snapshot> at line %d in %s \n", lineNo, 
+                    filename_.c_str()); 
+            painCave.isFatal = 1; 
+            simError(); 
           }
+          
+          if (foundClosedSnapshotTag) {
+            sprintf(painCave.errMsg, 
+                    "DumpReader:</Snapshot> appears multiply nested at line %d in %s \n", lineNo, 
+                    filename_.c_str()); 
+            painCave.isFatal = 1; 
+            simError(); 
+          }
+          foundClosedSnapshotTag = true;
+          foundOpenSnapshotTag = false;
         }
-        
-        currPos = new fpos_t;
-        fgetpos(inFile_, currPos);
-        fgets(readBuffer, sizeof(readBuffer), inFile_);
-        lineNum++;
+        prevPos = currPos;
       }
       
-      delete currPos;
-      rewind(inFile_);
+      // only found <Snapshot> for the last frame means the file is corrupted, we should discard
+      // it and give a warning message
+      if (foundOpenSnapshotTag) {
+        sprintf(painCave.errMsg, 
+                "DumpReader: last frame in %s is invalid\n", filename_.c_str()); 
+        painCave.isFatal = 0; 
+        simError();       
+        framePos_.pop_back();
+      }
       
-      nframes_ = framePos_.size();
-#ifdef IS_MPI
-    }
-    
-    MPI_Bcast(&nframes_, 1, MPI_INT, 0, MPI_COMM_WORLD);
-    
-    strcpy(checkPointMsg, "Successfully scanned DumpFile\n");
-    MPIcheckPoint();
-    
-#endif // is_mpi
-    
-    isScanned_ = true;
-  }
-  
-  void DumpReader::readFrame(int whichFrame) {
-    int storageLayout = info_->getSnapshotManager()->getStorageLayout();
-    
-    if (storageLayout & DataStorage::dslPosition) {
-      needPos_ = true;
-    } else {
-      needPos_ = false;
-    }
-    
-    if (storageLayout & DataStorage::dslVelocity) {
-      needVel_ = true;
-    } else {
-      needVel_ = false;
-    }
-    
-    if (storageLayout & DataStorage::dslAmat || storageLayout & DataStorage::dslElectroFrame) {
-      needQuaternion_ = true;
-    } else {
-      needQuaternion_ = false;
-    }
-    
-    if (storageLayout & DataStorage::dslAngularMomentum) {
-      needAngMom_ = true;
-    } else {
-      needAngMom_ = false;    
-    }
-    
-    readSet(whichFrame);
-  }
-  
-  void DumpReader::readSet(int whichFrame) {
-    int i;
-    int nTotObjs;                  // the number of atoms
-    char read_buffer[maxBufferSize];  //the line buffer for reading
-    char * eof_test;               // ptr to see when we reach the end of the file
-    
-    Molecule* mol;
-    StuntDouble* integrableObject;
-    SimInfo::MoleculeIterator mi;
-    Molecule::IntegrableObjectIterator ii;
-    
-#ifndef IS_MPI
-    
-    fsetpos(inFile_, framePos_[whichFrame]);
-    eof_test = fgets(read_buffer, sizeof(read_buffer), inFile_);
-    
-    if (eof_test == NULL) {
-      sprintf(painCave.errMsg,
-              "DumpReader error: error reading 1st line of \"%s\"\n",
-              filename_.c_str());
-      painCave.isFatal = 1;
-      simError();
-    }
-    
-    nTotObjs = atoi(read_buffer);
-    
-    if (nTotObjs != info_->getNGlobalIntegrableObjects()) {
-      sprintf(painCave.errMsg,
-              "DumpReader error. %s nIntegrable, %d, "
-              "does not match the meta-data file's nIntegrable, %d.\n",
-              filename_.c_str(),
-              nTotObjs,
-              info_->getNGlobalIntegrableObjects());
+      nframes_ = framePos_.size(); 
       
-      painCave.isFatal = 1;
-      simError();
-    }
-    
-    //read the box mat from the comment line
-    
-    eof_test = fgets(read_buffer, sizeof(read_buffer), inFile_);
-    
-    if (eof_test == NULL) {
-      sprintf(painCave.errMsg, "DumpReader Error: error in reading commment in %s\n",
-              filename_.c_str());
-      painCave.isFatal = 1;
-      simError();
-    }
-    
-    parseCommentLine(read_buffer, info_->getSnapshotManager()->getCurrentSnapshot());
-    
-    //parse dump lines
-    
-    i = 0;
-    for (mol = info_->beginMolecule(mi); mol != NULL; mol = info_->nextMolecule(mi)) {
-      
-      for (integrableObject = mol->beginIntegrableObject(ii); integrableObject != NULL; 
-           integrableObject = mol->nextIntegrableObject(ii)) {           
-        
-        eof_test = fgets(read_buffer, sizeof(read_buffer), inFile_);
-        
-        if (eof_test == NULL) {
-          sprintf(painCave.errMsg,
-                  "DumpReader Error: error in reading file %s\n"
-                  "natoms  = %d; index = %d\n"
-                  "error reading the line from the file.\n",
-                  filename_.c_str(),
-                  nTotObjs,
-                  i);
-          
-          painCave.isFatal = 1;
-          simError();
-        }
-        
-        parseDumpLine(read_buffer, integrableObject);
-        i++;
+      if (nframes_ == 0) {
+        sprintf(painCave.errMsg, 
+                "DumpReader: %s does not contain a valid frame\n", filename_.c_str()); 
+        painCave.isFatal = 1; 
+        simError();      
       }
-    }
+#ifdef IS_MPI 
+    } 
+     
+    MPI_Bcast(&nframes_, 1, MPI_INT, 0, MPI_COMM_WORLD); 
     
-    // MPI Section of code..........
+#endif // is_mpi 
     
-#else //IS_MPI
-    
-    // first thing first, suspend fatalities.
+    isScanned_ = true; 
+  } 
+   
+  void DumpReader::readFrame(int whichFrame) { 
+    if (!isScanned_) 
+      scanFile(); 
+         
+    int storageLayout = info_->getSnapshotManager()->getStorageLayout(); 
+     
+    if (storageLayout & DataStorage::dslPosition) { 
+      needPos_ = true; 
+    } else { 
+      needPos_ = false; 
+    } 
+     
+    if (storageLayout & DataStorage::dslVelocity) { 
+      needVel_ = true; 
+    } else { 
+      needVel_ = false; 
+    } 
+     
+    if (storageLayout & DataStorage::dslAmat || storageLayout & DataStorage::dslElectroFrame) { 
+      needQuaternion_ = true; 
+    } else { 
+      needQuaternion_ = false; 
+    } 
+     
+    if (storageLayout & DataStorage::dslAngularMomentum) { 
+      needAngMom_ = true; 
+    } else { 
+      needAngMom_ = false;     
+    } 
+     
+    readSet(whichFrame); 
+  } 
+   
+  void DumpReader::readSet(int whichFrame) {     
+    std::string line;
+
+#ifndef IS_MPI 
+
+    inFile_->clear();  
+    inFile_->seekg(framePos_[whichFrame]); 
+
+    std::istream& inputStream = *inFile_;     
+
+#else 
     int masterNode = 0;
-    int nCurObj;
-    painCave.isEventLoop = 1;
-    
-    int myStatus; // 1 = wakeup & success; 0 = error; -1 = AllDone
-    int haveError;
-    
-    MPI_Status istatus;
-    int nitems;
-    
-    nTotObjs = info_->getNGlobalIntegrableObjects();
-    haveError = 0;
-    
+    std::stringstream sstream;
     if (worldRank == masterNode) {
-      fsetpos(inFile_, framePos_[whichFrame]);
-      
-      eof_test = fgets(read_buffer, sizeof(read_buffer), inFile_);
-      
-      if (eof_test == NULL) {
-        sprintf(painCave.errMsg, "DumpReader Error: Error reading 1st line of %s \n ",
-                filename_.c_str());
-        painCave.isFatal = 1;
-        simError();
-      }
+      std::string sendBuffer;
+
+      inFile_->clear();  
+      inFile_->seekg(framePos_[whichFrame]); 
       
-      nitems = atoi(read_buffer);
-      
-      // Check to see that the number of integrable objects in the
-      // intial configuration file is the same as derived from the
-      // meta-data file.
-      
-      if (nTotObjs != nitems) {
-        sprintf(painCave.errMsg,
-                "DumpReader Error. %s nIntegrable, %d, "
-                "does not match the meta-data file's nIntegrable, %d.\n",
-                filename_.c_str(),
-                nTotObjs,
-                info_->getNGlobalIntegrableObjects());
-        
-        painCave.isFatal = 1;
-        simError();
+      while (inFile_->getline(buffer, bufferSize)) {
+
+        line = buffer;
+        sendBuffer += line;
+        sendBuffer += '\n';
+        if (line.find("</Snapshot>") != std::string::npos) {
+          break;
+        }        
       }
+
+      int sendBufferSize = sendBuffer.size();
+      MPI_Bcast(&sendBufferSize, 1, MPI_INT, masterNode, MPI_COMM_WORLD);     
+      MPI_Bcast((void *)sendBuffer.c_str(), sendBufferSize, MPI_CHAR, masterNode, MPI_COMM_WORLD);     
       
-      //read the boxMat from the comment line
-      
-      eof_test = fgets(read_buffer, sizeof(read_buffer), inFile_);
-      
-      if (eof_test == NULL) {
-        sprintf(painCave.errMsg, "DumpReader Error: error in reading commment in %s\n",
-                filename_.c_str());
-        painCave.isFatal = 1;
-        simError();
-      }
-      
-      //Every single processor will parse the comment line by itself
-      //By using this way, we might lose some efficiency, but if we want to add
-      //more parameters into comment line, we only need to modify function
-      //parseCommentLine
-      
-      MPI_Bcast(read_buffer, maxBufferSize, MPI_CHAR, masterNode, MPI_COMM_WORLD);
-      parseCommentLine(read_buffer, info_->getSnapshotManager()->getCurrentSnapshot());
-      
-      for(i = 0; i < info_->getNGlobalMolecules(); i++) {
-        int which_node = info_->getMolToProc(i);
+      sstream.str(sendBuffer);
+    } else {
+      int sendBufferSize;
+      MPI_Bcast(&sendBufferSize, 1, MPI_INT, masterNode, MPI_COMM_WORLD);     
+      char * recvBuffer = new char[sendBufferSize+1];
+      MPI_Bcast(recvBuffer, sendBufferSize, MPI_CHAR, masterNode, MPI_COMM_WORLD);     
+      sstream.str(recvBuffer);
+    }      
+
+    std::istream& inputStream = sstream;  
+#endif
+
+    inputStream.getline(buffer, bufferSize);
+
+    line = buffer;
+    if (line.find("<Snapshot>") == std::string::npos) {
+      sprintf(painCave.errMsg, 
+              "DumpReader Error: can not find <Snapshot>\n"); 
+      painCave.isFatal = 1; 
+      simError(); 
+    } 
+    
+    //read frameData
+    readFrameProperties(inputStream);
+
+    //read StuntDoubles
+    readStuntDoubles(inputStream);     
+
+    inputStream.getline(buffer, bufferSize);
+    line = buffer;
+    if (line.find("</Snapshot>") == std::string::npos) {
+      sprintf(painCave.errMsg, 
+              "DumpReader Error: can not find </Snapshot>\n"); 
+      painCave.isFatal = 1; 
+      simError(); 
+    }        
+   
+  } 
+   
+  void DumpReader::parseDumpLine(const std::string& line) { 
+
+       
+    StringTokenizer tokenizer(line); 
+    int nTokens; 
+     
+    nTokens = tokenizer.countTokens(); 
+     
+    if (nTokens < 2) { 
+      sprintf(painCave.errMsg, 
+              "DumpReader Error: Not enough Tokens.\n%s\n", line.c_str()); 
+      painCave.isFatal = 1; 
+      simError(); 
+    } 
+
+    int index = tokenizer.nextTokenAsInt();
+ 
+    StuntDouble* integrableObject = info_->getIOIndexToIntegrableObject(index);
+
+    if (integrableObject == NULL) {
+      return;
+    }
+    std::string type = tokenizer.nextToken(); 
+    int size = type.size();
+    for(int i = 0; i < size; ++i) {
+      switch(type[i]) {
         
-        if (which_node == masterNode) {
-          //molecules belong to master node
-          
-          mol = info_->getMoleculeByGlobalIndex(i);
-          
-          if (mol == NULL) {
-            sprintf(painCave.errMsg, "DumpReader Error: Molecule not found on node %d!", worldRank);
-            painCave.isFatal = 1;
-            simError();
-          }
-          
-          for (integrableObject = mol->beginIntegrableObject(ii); integrableObject != NULL; 
-               integrableObject = mol->nextIntegrableObject(ii)){
-            
-            eof_test = fgets(read_buffer, sizeof(read_buffer), inFile_);
-            
-            if (eof_test == NULL) {
-              sprintf(painCave.errMsg,
-                      "DumpReader Error: error in reading file %s\n"
-                      "natoms  = %d; index = %d\n"
-                      "error reading the line from the file.\n",
-                      filename_.c_str(),
-                      nTotObjs,
-                      i);
+        case 'p': {
+            Vector3d pos;
+            pos[0] = tokenizer.nextTokenAsDouble(); 
+            pos[1] = tokenizer.nextTokenAsDouble(); 
+            pos[2] = tokenizer.nextTokenAsDouble(); 
+            if (needPos_) { 
+              integrableObject->setPos(pos); 
+            }             
+            break;
+        }
+        case 'v' : {
+            Vector3d vel;
+            vel[0] = tokenizer.nextTokenAsDouble(); 
+            vel[1] = tokenizer.nextTokenAsDouble(); 
+            vel[2] = tokenizer.nextTokenAsDouble(); 
+            if (needVel_) { 
+              integrableObject->setVel(vel); 
+            } 
+            break;
+        }
+
+        case 'q' : {
+           Quat4d q;
+           if (integrableObject->isDirectional()) { 
               
-              painCave.isFatal = 1;
-              simError();
-            }
-            
-            parseDumpLine(read_buffer, integrableObject);
-          }
-        } else {
-          //molecule belongs to slave nodes
-          
-          MPI_Recv(&nCurObj, 1, MPI_INT, which_node, TAKE_THIS_TAG_INT,
-                   MPI_COMM_WORLD, &istatus);
-          
-          for(int j = 0; j < nCurObj; j++) {
-            eof_test = fgets(read_buffer, sizeof(read_buffer), inFile_);
-            
-            if (eof_test == NULL) {
-              sprintf(painCave.errMsg,
-                      "DumpReader Error: error in reading file %s\n"
-                      "natoms  = %d; index = %d\n"
-                      "error reading the line from the file.\n",
-                      filename_.c_str(),
-                      nTotObjs,
-                      i);
+             q[0] = tokenizer.nextTokenAsDouble(); 
+             q[1] = tokenizer.nextTokenAsDouble(); 
+             q[2] = tokenizer.nextTokenAsDouble(); 
+             q[3] = tokenizer.nextTokenAsDouble(); 
               
-              painCave.isFatal = 1;
-              simError();
-            }
-            
-            MPI_Send(read_buffer, maxBufferSize, MPI_CHAR, which_node,
-                     TAKE_THIS_TAG_CHAR, MPI_COMM_WORLD);
+             RealType qlen = q.length(); 
+             if (qlen < oopse::epsilon) { //check quaternion is not equal to 0 
+                
+               sprintf(painCave.errMsg, 
+                       "DumpReader Error: initial quaternion error (q0^2 + q1^2 + q2^2 + q3^2) ~ 0\n"); 
+               painCave.isFatal = 1; 
+               simError(); 
+                
+             }  
+              
+             q.normalize(); 
+             if (needQuaternion_) {            
+               integrableObject->setQ(q); 
+             }               
+           }            
+           break;
+        }  
+        case 'j' : {
+          Vector3d ji;
+          if (integrableObject->isDirectional()) {
+             ji[0] = tokenizer.nextTokenAsDouble(); 
+             ji[1] = tokenizer.nextTokenAsDouble(); 
+             ji[2] = tokenizer.nextTokenAsDouble(); 
+             if (needAngMom_) { 
+               integrableObject->setJ(ji); 
+             } 
           }
+        }  
+        case 'f': {
+
+          Vector3d force;
+          force[0] = tokenizer.nextTokenAsDouble(); 
+          force[1] = tokenizer.nextTokenAsDouble(); 
+          force[2] = tokenizer.nextTokenAsDouble();           
+          integrableObject->setFrc(force); 
+          break;
         }
+        case 't' : {
+
+           Vector3d torque;
+           torque[0] = tokenizer.nextTokenAsDouble(); 
+           torque[1] = tokenizer.nextTokenAsDouble(); 
+           torque[2] = tokenizer.nextTokenAsDouble();           
+           integrableObject->setTrq(torque);          
+           break;
+        }
+        default: {
+               sprintf(painCave.errMsg, 
+                       "DumpReader Error: %s is an unrecognized type\n", type.c_str()); 
+               painCave.isFatal = 1; 
+               simError(); 
+          break;   
+        }
+
       }
-    } else {
-      //actions taken at slave nodes
-      MPI_Bcast(read_buffer, maxBufferSize, MPI_CHAR, masterNode, MPI_COMM_WORLD);
-      
-      /**@todo*/
-      parseCommentLine(read_buffer, info_->getSnapshotManager()->getCurrentSnapshot());
+    }
+     
+  } 
+   
+
+  void  DumpReader::readStuntDoubles(std::istream& inputStream) {
+
+    inputStream.getline(buffer, bufferSize);
+    std::string line(buffer);
+    
+    if (line.find("<StuntDoubles>") == std::string::npos) {
+      sprintf(painCave.errMsg, 
+              "DumpReader Error: Missing <StuntDoubles>\n"); 
+      painCave.isFatal = 1; 
+      simError(); 
+    }
+
+    while(inputStream.getline(buffer, bufferSize)) {
+      line = buffer;
       
-      for(i = 0; i < info_->getNGlobalMolecules(); i++) {
-        int which_node = info_->getMolToProc(i);
-        
-        if (which_node == worldRank) {
-          //molecule with global index i belongs to this processor
-          
-          mol = info_->getMoleculeByGlobalIndex(i);
-          if (mol == NULL) {
-            sprintf(painCave.errMsg, "DumpReader Error: Molecule not found on node %d!", worldRank);
-            painCave.isFatal = 1;
-            simError();
-          }
-          
-          nCurObj = mol->getNIntegrableObjects();
-          
-          MPI_Send(&nCurObj, 1, MPI_INT, masterNode, TAKE_THIS_TAG_INT,
-                   MPI_COMM_WORLD);
-          
-          for (integrableObject = mol->beginIntegrableObject(ii); integrableObject != NULL; 
-               integrableObject = mol->nextIntegrableObject(ii)){
-            
-            MPI_Recv(read_buffer, maxBufferSize, MPI_CHAR, masterNode,
-                     TAKE_THIS_TAG_CHAR, MPI_COMM_WORLD, &istatus);
-            
-            parseDumpLine(read_buffer, integrableObject);
-          }
-          
-        }
-        
+      if(line.find("</StuntDoubles>") != std::string::npos) {
+        break;
       }
-      
+
+      parseDumpLine(line);
     }
-    
-#endif
-    
-  }
   
-  void DumpReader::parseDumpLine(char *line, StuntDouble *integrableObject) {
-    
-    Vector3d pos;  // position place holders
-    Vector3d vel;  // velocity placeholders
-    Quat4d q;    // the quaternions
-    Vector3d ji;   // angular velocity placeholders;
-    StringTokenizer tokenizer(line);
-    int nTokens;
-    
-    nTokens = tokenizer.countTokens();
-    
-    if (nTokens < 14) {
-      sprintf(painCave.errMsg,
-              "DumpReader Error: Not enough Tokens.\n%s\n", line);
-      painCave.isFatal = 1;
-      simError();
+  }
+
+  void DumpReader::readFrameProperties(std::istream& inputStream) {
+
+    Snapshot* s = info_->getSnapshotManager()->getCurrentSnapshot();
+    inputStream.getline(buffer, bufferSize);
+    std::string line(buffer);
+
+    if (line.find("<FrameData>") == std::string::npos) {
+      sprintf(painCave.errMsg, 
+              "DumpReader Error: Missing <FrameData>\n"); 
+      painCave.isFatal = 1; 
+      simError(); 
     }
-    
-    std::string name = tokenizer.nextToken();
-    
-    if (name != integrableObject->getType()) {
+
+    while(inputStream.getline(buffer, bufferSize)) {
+      line = buffer;
       
-      sprintf(painCave.errMsg,
-              "DumpReader Error: Atom type [%s] in %s does not match Atom Type [%s] in .md file.\n",
-              name.c_str(), filename_.c_str(), integrableObject->getType().c_str());
-      painCave.isFatal = 1;
-      simError();        
-    }
-    
-    pos[0] = tokenizer.nextTokenAsDouble();
-    pos[1] = tokenizer.nextTokenAsDouble();
-    pos[2] = tokenizer.nextTokenAsDouble();
-    if (needPos_) {
-      integrableObject->setPos(pos);
-    }
-    
-    vel[0] = tokenizer.nextTokenAsDouble();
-    vel[1] = tokenizer.nextTokenAsDouble();
-    vel[2] = tokenizer.nextTokenAsDouble();
-    if (needVel_) {
-      integrableObject->setVel(vel);
-    }
-    
-    if (integrableObject->isDirectional()) {
-      
-      q[0] = tokenizer.nextTokenAsDouble();
-      q[1] = tokenizer.nextTokenAsDouble();
-      q[2] = tokenizer.nextTokenAsDouble();
-      q[3] = tokenizer.nextTokenAsDouble();
-      
-      double qlen = q.length();
-      if (qlen < oopse::epsilon) { //check quaternion is not equal to 0
-        
-        sprintf(painCave.errMsg,
-                "DumpReader Error: initial quaternion error (q0^2 + q1^2 + q2^2 + q3^2 ~ 0).\n");
-        painCave.isFatal = 1;
-        simError();
-        
-      } 
-      
-      q.normalize();
-      if (needQuaternion_) {           
-        integrableObject->setQ(q);
+      if(line.find("</FrameData>") != std::string::npos) {
+        break;
       }
       
-      ji[0] = tokenizer.nextTokenAsDouble();
-      ji[1] = tokenizer.nextTokenAsDouble();
-      ji[2] = tokenizer.nextTokenAsDouble();
-      if (needAngMom_) {
-        integrableObject->setJ(ji);
+      StringTokenizer tokenizer(line, " ;\t\n\r{}:,");
+      if (!tokenizer.hasMoreTokens()) {
+        sprintf(painCave.errMsg, 
+                "DumpReader Error: Not enough Tokens.\n%s\n", line.c_str()); 
+        painCave.isFatal = 1; 
+        simError();      
       }
-    }
-    
-  }
-  
-  
-  void DumpReader::parseCommentLine(char* line, Snapshot* s) {
-    double currTime;
-    Mat3x3d hmat;
-    double chi;
-    double integralOfChiDt;
-    Mat3x3d eta;
-    
-    StringTokenizer tokenizer(line);
-    int nTokens;
-    
-    nTokens = tokenizer.countTokens();
-    
-    //comment line should at least contain 10 tokens: current time(1 token) and  h-matrix(9 tokens)
-    if (nTokens < 10) {
-      sprintf(painCave.errMsg,
-              "DumpReader Error: Not enough tokens in comment line: %s", line);
-      painCave.isFatal = 1;
-      simError();   
-    }
-    
-    //read current time
-    currTime = tokenizer.nextTokenAsDouble();
-    s->setTime(currTime);
-    
-    //read h-matrix
-    hmat(0, 0) = tokenizer.nextTokenAsDouble();
-    hmat(0, 1) = tokenizer.nextTokenAsDouble();
-    hmat(0, 2) = tokenizer.nextTokenAsDouble();
-    hmat(1, 0) = tokenizer.nextTokenAsDouble();
-    hmat(1, 1) = tokenizer.nextTokenAsDouble();
-    hmat(1, 2) = tokenizer.nextTokenAsDouble();
-    hmat(2, 0) = tokenizer.nextTokenAsDouble();
-    hmat(2, 1) = tokenizer.nextTokenAsDouble();
-    hmat(2, 2) = tokenizer.nextTokenAsDouble();
-    s->setHmat(hmat);
-    
-    //read chi and integralOfChidt, they should apprear in pair
-    if (tokenizer.countTokens() >= 2) {
-      chi = tokenizer.nextTokenAsDouble();
-      integralOfChiDt = tokenizer.nextTokenAsDouble();            
+
+      std::string propertyName = tokenizer.nextToken();
+      if (propertyName == "Time") {
+        RealType currTime = tokenizer.nextTokenAsDouble(); 
+        s->setTime(currTime); 
+      } else if (propertyName == "Hmat"){
+        Mat3x3d hmat;
+        hmat(0, 0) = tokenizer.nextTokenAsDouble(); 
+        hmat(0, 1) = tokenizer.nextTokenAsDouble(); 
+        hmat(0, 2) = tokenizer.nextTokenAsDouble(); 
+        hmat(1, 0) = tokenizer.nextTokenAsDouble(); 
+        hmat(1, 1) = tokenizer.nextTokenAsDouble(); 
+        hmat(1, 2) = tokenizer.nextTokenAsDouble(); 
+        hmat(2, 0) = tokenizer.nextTokenAsDouble(); 
+        hmat(2, 1) = tokenizer.nextTokenAsDouble(); 
+        hmat(2, 2) = tokenizer.nextTokenAsDouble(); 
+        s->setHmat(hmat);      
+      } else if (propertyName == "Thermostat") {
+        RealType chi = tokenizer.nextTokenAsDouble();
+        RealType integralOfChiDt = tokenizer.nextTokenAsDouble();
+        s->setChi(chi); 
+        s->setIntegralOfChiDt(integralOfChiDt);        
+     } else if (propertyName == "Barostat") {
+        Mat3x3d eta;
+        eta(0, 0) = tokenizer.nextTokenAsDouble(); 
+        eta(0, 1) = tokenizer.nextTokenAsDouble(); 
+        eta(0, 2) = tokenizer.nextTokenAsDouble(); 
+        eta(1, 0) = tokenizer.nextTokenAsDouble(); 
+        eta(1, 1) = tokenizer.nextTokenAsDouble(); 
+        eta(1, 2) = tokenizer.nextTokenAsDouble(); 
+        eta(2, 0) = tokenizer.nextTokenAsDouble(); 
+        eta(2, 1) = tokenizer.nextTokenAsDouble(); 
+        eta(2, 2) = tokenizer.nextTokenAsDouble(); 
+        s->setEta(eta); 
+      } else {
+        sprintf(painCave.errMsg, 
+                "DumpReader Error: %s is an invalid property in <FrameData>\n", propertyName.c_str()); 
+        painCave.isFatal = 0; 
+        simError();         
+      }
       
-      s->setChi(chi);
-      s->setIntegralOfChiDt(integralOfChiDt);
     }
-    
-    //read eta (eta is 3x3 matrix)
-    if (tokenizer.countTokens() >= 9) {
-      eta(0, 0) = tokenizer.nextTokenAsDouble();
-      eta(0, 1) = tokenizer.nextTokenAsDouble();
-      eta(0, 2) = tokenizer.nextTokenAsDouble();
-      eta(1, 0) = tokenizer.nextTokenAsDouble();
-      eta(1, 1) = tokenizer.nextTokenAsDouble();
-      eta(1, 2) = tokenizer.nextTokenAsDouble();
-      eta(2, 0) = tokenizer.nextTokenAsDouble();
-      eta(2, 1) = tokenizer.nextTokenAsDouble();
-      eta(2, 2) = tokenizer.nextTokenAsDouble();      
-      
-      s->setEta(eta);
-    }
-    
-    
+
   }
-  
-}//end namespace oopse
+
+   
+}//end namespace oopse