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root/group/trunk/OOPSE/libmdtools/InitializeFromFile.cpp
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Comparing trunk/OOPSE/libmdtools/InitializeFromFile.cpp (file contents):
Revision 909 by mmeineke, Thu Jan 8 17:57:19 2004 UTC vs.
Revision 1097 by gezelter, Mon Apr 12 20:32:20 2004 UTC

# Line 327 | Line 327 | char* InitializeFromFile::parseDumpLine(char* readLine
327    double pos[3]; // position place holders
328    double vel[3]; // velocity placeholders
329    double q[4]; // the quaternions
330 <  double jx, jy, jz; // angular velocity placeholders;
330 >  double ji[3]; // angular velocity placeholders;
331    double qSqr, qLength; // needed to normalize the quaternion vector.
332  
333    Atom **atoms = simnfo->atoms;
# Line 490 | Line 490 | char* InitializeFromFile::parseDumpLine(char* readLine
490                 c_in_name, n_atoms, atomIndex );
491        return strdup( painCave.errMsg );
492      }
493 <    jx = atof( foo );
493 >    ji[0] = atof( foo );
494  
495      foo = strtok(NULL, " ,;\t");
496      if(foo == NULL){
# Line 500 | Line 500 | char* InitializeFromFile::parseDumpLine(char* readLine
500                 c_in_name, n_atoms, atomIndex );
501        return strdup( painCave.errMsg );
502      }
503 <    jy = atof(foo );
503 >    ji[1] = atof(foo );
504  
505      foo = strtok(NULL, " ,;\t");
506      if(foo == NULL){
# Line 510 | Line 510 | char* InitializeFromFile::parseDumpLine(char* readLine
510                 c_in_name, n_atoms, atomIndex );
511        return strdup( painCave.errMsg );
512      }
513 <    jz = atof( foo );
513 >    ji[2] = atof( foo );
514  
515      dAtom = ( DirectionalAtom* )atoms[atomIndex];
516  
# Line 528 | Line 528 | char* InitializeFromFile::parseDumpLine(char* readLine
528  
529      // add the angular velocities
530  
531 <    dAtom->setJx( jx );
532 <    dAtom->setJy( jy );
533 <    dAtom->setJz( jz );
531 >    dAtom->setJ( ji );
532    }
533  
534    // add the positions and velocities to the atom
# Line 618 | Line 616 | char* InitializeFromFile::parseCommentLine(char* readL
616        return NULL;
617      
618      //get eta
619 <    foo = strtok(NULL, " ,;\t");
619 >    foo = strtok(NULL, " ,;\t\n");
620      if(foo != NULL ){
621 +  
622        for(int i = 0 ; i < 9; i++){
623          
624          if(foo == NULL){
# Line 628 | Line 627 | char* InitializeFromFile::parseCommentLine(char* readL
627            return strdup( painCave.errMsg );
628          }
629          eta[i] = atof( foo );
630 <        foo = strtok(NULL, " ,;\t");
630 >        foo = strtok(NULL, " ,;\t\n");
631        }
632      }
633      else

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