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root/group/trunk/OOPSE/libmdtools/DumpReader.cpp
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Comparing trunk/OOPSE/libmdtools/DumpReader.cpp (file contents):
Revision 829 by gezelter, Tue Oct 28 16:03:37 2003 UTC vs.
Revision 847 by mmeineke, Fri Oct 31 18:28:52 2003 UTC

# Line 686 | Line 686 | char* DumpReader::parseCommentLine(char* readLine, dou
686  
687    char *foo; // the pointer to the current string token
688    int j;
689 +  double chi, integralOfChidt;
690 +  double eta[9];
691  
692    // set the string tokenizer
693    
# Line 785 | Line 787 | char* DumpReader::parseCommentLine(char* readLine, dou
787    }
788    boxMat[8] = atof( foo );    
789  
790 +  return NULL;
791 +
792 +  //get chi and integralOfChidt, they should appear by pair
793 +  foo = strtok(NULL, " ,;\t\n");
794 +  if(foo != NULL){
795 +    chi = atof(foo);
796 +    
797 +    foo = strtok(NULL, " ,;\t\n");
798 +    if(foo == NULL){
799 +      sprintf( painCave.errMsg,
800 +               "chi and integralOfChidt should appear by pair in %s\n", inName );
801 +      return strdup( painCave.errMsg );
802 +    }
803 +    integralOfChidt = atof( foo );
804 +    
805 +    //push chi and integralOfChidt into SimInfo::properties which can be
806 +    //retrieved by integrator later
807 +    DoubleData* chiValue = new DoubleData();
808 +    chiValue->setID(CHIVALUE_ID);
809 +    chiValue->setData(chi);
810 +    simnfo->addProperty(chiValue);
811 +    
812 +    DoubleData* integralOfChidtValue = new DoubleData();
813 +    integralOfChidtValue->setID(INTEGRALOFCHIDT_ID);
814 +    integralOfChidtValue->setData(integralOfChidt);
815 +    simnfo->addProperty(integralOfChidtValue);
816 +    
817 +  }
818 +  else
819 +    return NULL;
820 +  
821 +  //get eta
822 +  for(int i = 0 ; i < 9; i++){
823 +    foo = strtok(NULL, " ,;\t");
824 +    if(foo == NULL){
825 +      sprintf( painCave.errMsg,
826 +               "error in reading eta[%d] from %s\n", i, inName );
827 +      return strdup( painCave.errMsg );
828 +    }
829 +    eta[i] = atof( foo );
830 +  }
831 +  
832 +  //push eta into SimInfo::properties which can be
833 +  //retrieved by integrator later
834 +  //simnfo->setBoxM( theBoxMat3 );
835 +  DoubleArrayData* etaValue = new DoubleArrayData();
836 +  etaValue->setID(ETAVALUE_ID);
837 +  etaValue->setData(eta, 9);
838 +  simnfo->addProperty(etaValue);
839 +  
840 +  
841    return NULL;
842 +  
843 +  
844 +
845   }
846  
847  

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