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root/group/branches/new-templateless/OOPSE/libmdtools/InitializeFromFile.cpp
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Comparing branches/new-templateless/OOPSE/libmdtools/InitializeFromFile.cpp (file contents):
Revision 849, Fri Oct 31 18:28:53 2003 UTC vs.
Revision 850 by mmeineke, Mon Nov 3 22:07:17 2003 UTC

# Line 583 | Line 583 | char* InitializeFromFile::parseCommentLine(char* readL
583    entry_plug->setBoxM( theBoxMat3 );
584  
585    //get chi and integralOfChidt, they should appear by pair
586 +
587 +  GenericData* myProps = entry_plug->getProperties();
588    foo = strtok(NULL, " ,;\t\n");
589    if(foo != NULL){
590      chi = atof(foo);
# Line 597 | Line 599 | char* InitializeFromFile::parseCommentLine(char* readL
599  
600      //push chi and integralOfChidt into SimInfo::properties which can be
601      //retrieved by integrator later
602 <    DoubleData* chiValue = new DoubleData();
603 <    chiValue->setID(CHIVALUE_ID);
604 <    chiValue->setData(chi);
603 <    entry_plug->addProperty(chiValue);
604 <
605 <    DoubleData* integralOfChidtValue = new DoubleData();
606 <    integralOfChidtValue->setID(INTEGRALOFCHIDT_ID);
607 <    integralOfChidtValue->setData(integralOfChidt);
608 <    entry_plug->addProperty(integralOfChidtValue);
609 <
602 >    
603 >    myProps->add( CHIVALUE_ID, chi );
604 >    myProps->add( INTEGRALOFCHIDT_ID, integralOfChidt );
605    }
606    else
607      return NULL;
608 <
608 >  
609    //get eta
610    for(int i = 0 ; i < 9; i++){
611      foo = strtok(NULL, " ,;\t");
# Line 621 | Line 616 | char* InitializeFromFile::parseCommentLine(char* readL
616      }
617      eta[i] = atof( foo );
618    }
619 <
619 >  
620    //push eta into SimInfo::properties which can be
621    //retrieved by integrator later
622 <  //entry_plug->setBoxM( theBoxMat3 );
623 <  DoubleArrayData* etaValue = new DoubleArrayData();
629 <  etaValue->setID(ETAVALUE_ID);
630 <  etaValue->setData(eta, 9);
631 <  entry_plug->addProperty(etaValue);
622 >  
623 >  myProps->add( ETAVALUE_ID, eta, 9);
624  
633
625    return NULL;
626   }
627  
# Line 644 | Line 635 | void initFile::nodeZeroError( void ){
635    myStatus = 0;
636    for (j = 0; j < mpiSim->getNumberProcessors(); j++) {
637      MPI_Send( &myStatus, 1, MPI_INT, j,
638 <              TAKE_THIS_TAG_INT, MPI_COMM_WORLD);
638 >              TAKE_THIS_TAG_INT, MPI_COMM_WORLD;
639    }
640  
641  

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