Changes in / [bdedb1:6d789df]


Ignore:
Location:
src
Files:
22 edited

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Unmodified
Added
Removed

  • src/Helpers/MemDebug.cpp

    rbdedb1 r6d789df  
    153153  // build the entry in front of the space
    154154  Memory::entry_t *entry = (Memory::entry_t*) res;
     155  memset(res,0,entrySpace);
    155156  entry->info.nbytes = nbytes;
    156157  entry->info.isUsed = true;

  • src/analysis_bonds.cpp

    rbdedb1 r6d789df  
    181181                    // check angle
    182182                    if (CheckHydrogenBridgeBondAngle(Walker, OtherAtom, Runner)) {
    183                       DoLog(1) && (Log() << Verbose(1) << Walker->Name << ", " << OtherAtom->Name << " and " << Runner->Name << " has a hydrogen bridge bond with distance " << sqrt(distance) << " and angle " << CalculateAngle(&OtherAtom->x, &Walker->x, &Runner->x)*(180./M_PI) << "." << endl);
     183                      DoLog(1) && (Log() << Verbose(1) << Walker->getName() << ", " << OtherAtom->getName() << " and " << Runner->getName() << " has a hydrogen bridge bond with distance " << sqrt(distance) << " and angle " << CalculateAngle(&OtherAtom->x, &Walker->x, &Runner->x)*(180./M_PI) << "." << endl);
    184184                      count++;
    185185                      break;

  • src/atom.cpp

    rbdedb1 r6d789df  
    4040
    4141atom *atom::clone(){
    42   atom *res = new atom();
     42  atom *res = new atom(this);
    4343  res->previous=0;
    4444  res->next=0;

  • src/atom_bondedparticle.cpp

    rbdedb1 r6d789df  
    4444void BondedParticle::OutputBondOfAtom() const
    4545{
    46   DoLog(4) && (Log() << Verbose(4) << "Atom " << Name << "/" << nr << " with " << ListOfBonds.size() << " bonds: " << endl);
     46  DoLog(4) && (Log() << Verbose(4) << "Atom " << getName() << "/" << nr << " with " << ListOfBonds.size() << " bonds: " << endl);
    4747  int TotalDegree = 0;
    4848  for (BondList::const_iterator Runner = ListOfBonds.begin(); Runner != ListOfBonds.end(); ++Runner) {

  • src/atom_graphnode.cpp

    rbdedb1 r6d789df  
    2727void GraphNode::OutputGraphInfo() const
    2828{
    29   DoLog(2) && (Log() << Verbose(2) << "Atom " << Name << " is " << ((SeparationVertex) ? "a" : "not a") << " separation vertex, components are ");
     29  DoLog(2) && (Log() << Verbose(2) << "Atom " << getName() << " is " << ((SeparationVertex) ? "a" : "not a") << " separation vertex, components are ");
    3030  OutputComponentNumber();
    3131  DoLog(3) && (Log() << Verbose(3) << " with Lowpoint " << LowpointNr << " and Graph Nr. " << GraphNr << "." << endl);

  • src/atom_particleinfo.cpp

    rbdedb1 r6d789df  
    1111/** Constructor of ParticleInfo.
    1212 */
    13 ParticleInfo::ParticleInfo() : nr(-1), Name(NULL) {};
     13ParticleInfo::ParticleInfo() : nr(-1), name("Unknown") {
     14};
    1415
    1516ParticleInfo::ParticleInfo(ParticleInfo *pointer) :
    1617    nr(pointer->nr),
    17     Name(pointer->Name)
     18    name(pointer->name)
    1819    {}
    1920
    … …  
    2223 */
    2324ParticleInfo::~ParticleInfo()
    24 {
    25   Free(&Name);
    26 };
     25{};
     26
     27const string& ParticleInfo::getName() const{
     28  return name;
     29}
     30
     31void ParticleInfo::setName(const string& _name){
     32  name = _name;
     33}
    2734
    2835ostream & operator << (ostream &ost, const ParticleInfo &a)
    2936{
    30   if (a.Name == NULL)
    31     ost << "[NULL]";
    32   else
    33     ost << "[" << a.Name << "|" << &a << "]";
     37  ost << "[" << a.getName() << "|" << &a << "]";
    3438  return ost;
    3539};
    … …  
    3741ostream & ParticleInfo::operator << (ostream &ost) const
    3842{
    39   if (Name == NULL)
    40     ost << "[NULL]";
    41   else
    42     ost << "[" << Name << "|" << this << "]";
     43  ost << "[" << name << "|" << this << "]";
    4344  return ost;
    4445};

  • src/atom_particleinfo.hpp

    rbdedb1 r6d789df  
    2828public:
    2929  int nr;       // index to easierly identify
    30   char *Name;   // some name to reference to on output
    3130
    3231  ParticleInfo();
    … …  
    3433  ~ParticleInfo();
    3534
     35  const std::string& getName() const;
     36  void setName(const std::string&);
     37
    3638  ostream & operator << (ostream &ost) const;
    3739
    3840private:
     41  std::string name;   // some name to reference to on output
    3942};
    4043

  • src/bond.cpp

    rbdedb1 r6d789df  
    4949ostream & operator << (ostream &ost, const bond &b)
    5050{
    51   ost << "[" << b.leftatom->Name << " <" << b.BondDegree << "(H" << b.HydrogenBond << ")>" << b.rightatom->Name << "]";
     51  ost << "[" << b.leftatom->getName() << " <" << b.BondDegree << "(H" << b.HydrogenBond << ")>" << b.rightatom->getName() << "]";
    5252  return ost;
    5353};

  • src/builder.cpp

    rbdedb1 r6d789df  
    25512551  ActionRegistry::purgeInstance();
    25522552  ActionHistory::purgeInstance();
     2553  Memory::getState();
    25532554}
    25542555
    … …  
    26162617  cleanUp(configuration);
    26172618
    2618   Memory::getState();
    26192619  return (0);
    26202620}

  • src/config.cpp

    rbdedb1 r6d789df  
    16801680    Walker = Walker->next;
    16811681    *output << Walker->nr << "\t";
    1682     *output << Walker->Name << "\t";
     1682    *output << Walker->getName() << "\t";
    16831683    *output << mol->name << "\t";
    16841684    *output << 0 << "\t";
    … …  
    17561756        Walker = Walker->next;
    17571757        *output << AtomNo+1 << "\t";
    1758         *output << Walker->Name << "\t";
     1758        *output << Walker->getName() << "\t";
    17591759        *output << (*MolWalker)->name << "\t";
    17601760        *output << MolCounter+1 << "\t";

  • src/molecule.cpp

    rbdedb1 r6d789df  
    135135      if (pointer->type->Z != 1)
    136136        NoNonHydrogen++;
    137       if (pointer->Name == NULL) {
    138         Free(&pointer->Name);
    139         pointer->Name = Malloc<char>(6, "molecule::AddAtom: *pointer->Name");
    140         sprintf(pointer->Name, "%2s%02d", pointer->type->symbol, pointer->nr+1);
     137      if(pointer->getName() == "Unknown"){
     138        stringstream sstr;
     139        sstr << pointer->type->symbol << pointer->nr+1;
     140        pointer->setName(sstr.str());
    141141      }
    142142    }
    … …  
    157157  if (pointer != NULL) {
    158158    atom *walker = pointer->clone();
    159     walker->Name = Malloc<char>(strlen(pointer->Name) + 1, "atom::atom: *Name");
    160     strcpy (walker->Name, pointer->Name);
     159    stringstream sstr;
     160    sstr << pointer->getName();
     161    walker->setName(sstr.str());
    161162    walker->nr = last_atom++;  // increase number within molecule
    162163    add(walker, end);
    … …  
    252253  BondRescale = TopOrigin->type->HBondDistance[TopBond->BondDegree-1];
    253254  if (BondRescale == -1) {
    254     DoeLog(1) && (eLog()<< Verbose(1) << "There is no typical hydrogen bond distance in replacing bond (" << TopOrigin->Name << "<->" << TopReplacement->Name << ") of degree " << TopBond->BondDegree << "!" << endl);
     255    DoeLog(1) && (eLog()<< Verbose(1) << "There is no typical hydrogen bond distance in replacing bond (" << TopOrigin->getName() << "<->" << TopReplacement->getName() << ") of degree " << TopBond->BondDegree << "!" << endl);
    255256    return false;
    256257    BondRescale = bondlength;
    … …  
    295296            SecondOtherAtom = (*Runner)->GetOtherAtom(TopOrigin);
    296297          } else {
    297             DoeLog(2) && (eLog()<< Verbose(2) << "Detected more than four bonds for atom " << TopOrigin->Name);
     298            DoeLog(2) && (eLog()<< Verbose(2) << "Detected more than four bonds for atom " << TopOrigin->getName());
    298299          }
    299300        }
    … …  
    339340      bondangle = TopOrigin->type->HBondAngle[1];
    340341      if (bondangle == -1) {
    341         DoeLog(1) && (eLog()<< Verbose(1) << "There is no typical hydrogen bond angle in replacing bond (" << TopOrigin->Name << "<->" << TopReplacement->Name << ") of degree " << TopBond->BondDegree << "!" << endl);
     342        DoeLog(1) && (eLog()<< Verbose(1) << "There is no typical hydrogen bond angle in replacing bond (" << TopOrigin->getName() << "<->" << TopReplacement->getName() << ") of degree " << TopBond->BondDegree << "!" << endl);
    342343        return false;
    343344        bondangle = 0;
    … …  
    616617    add(Binder, last);
    617618  } else {
    618     DoeLog(1) && (eLog()<< Verbose(1) << "Could not add bond between " << atom1->Name << " and " << atom2->Name << " as one or both are not present in the molecule." << endl);
     619    DoeLog(1) && (eLog()<< Verbose(1) << "Could not add bond between " << atom1->getName() << " and " << atom2->getName() << " as one or both are not present in the molecule." << endl);
    619620  }
    620621  return Binder;
    … …  
    695696    AtomCount--;
    696697  } else
    697     DoeLog(1) && (eLog()<< Verbose(1) << "Atom " << pointer->Name << " is of element " << pointer->type->Z << " but the entry in the table of the molecule is 0!" << endl);
     698    DoeLog(1) && (eLog()<< Verbose(1) << "Atom " << pointer->getName() << " is of element " << pointer->type->Z << " but the entry in the table of the molecule is 0!" << endl);
    698699  if (ElementsInMolecule[pointer->type->Z] == 0)  // was last atom of this element?
    699700    ElementCount--;
    … …  
    713714    ElementsInMolecule[pointer->type->Z]--; // decrease number of atom of this element
    714715  else
    715     DoeLog(1) && (eLog()<< Verbose(1) << "Atom " << pointer->Name << " is of element " << pointer->type->Z << " but the entry in the table of the molecule is 0!" << endl);
     716    DoeLog(1) && (eLog()<< Verbose(1) << "Atom " << pointer->getName() << " is of element " << pointer->type->Z << " but the entry in the table of the molecule is 0!" << endl);
    716717  if (ElementsInMolecule[pointer->type->Z] == 0)  // was last atom of this element?
    717718    ElementCount--;
    … …  
    915916        if (Walker->type->Z != 1) // count non-hydrogen atoms whilst at it
    916917          NoNonHydrogen++;
    917         Free(&Walker->Name);
    918         Walker->Name = Malloc<char>(6, "molecule::CountAtoms: *walker->Name");
    919         sprintf(Walker->Name, "%2s%02d", Walker->type->symbol, Walker->nr+1);
    920         DoLog(3) && (Log() << Verbose(3) << "Naming atom nr. " << Walker->nr << " " << Walker->Name << "." << endl);
     918        stringstream sstr;
     919        sstr << Walker->type->symbol << Walker->nr+1;
     920        Walker->setName(sstr.str());
     921        DoLog(3) && (Log() << Verbose(3) << "Naming atom nr. " << Walker->nr << " " << Walker->getName() << "." << endl);
    921922        i++;
    922923      }

  • src/molecule_fragmentation.cpp

    rbdedb1 r6d789df  
    907907      }
    908908    } else {
    909       DoeLog(1) && (eLog()<< Verbose(1) << "Son " << Runner->Name << " has father " << FatherOfRunner->Name << " but its entry in SonList is " << SonList[FatherOfRunner->nr] << "!" << endl);
     909      DoeLog(1) && (eLog()<< Verbose(1) << "Son " << Runner->getName() << " has father " << FatherOfRunner->getName() << " but its entry in SonList is " << SonList[FatherOfRunner->nr] << "!" << endl);
    910910    }
    911911    if ((LonelyFlag) && (Leaf->AtomCount > 1)) {

  • src/molecule_geometry.cpp

    rbdedb1 r6d789df  
    284284              if ((fabs(tmp)) > BondDistance) {
    285285                flag = false;
    286                 DoLog(0) && (Log() << Verbose(0) << "Hit: atom " << Walker->Name << " in bond " << *(*Runner) << " has to be shifted due to " << tmp << "." << endl);
     286                DoLog(0) && (Log() << Verbose(0) << "Hit: atom " << Walker->getName() << " in bond " << *(*Runner) << " has to be shifted due to " << tmp << "." << endl);
    287287                if (tmp > 0)
    288288                  Translationvector[j] -= 1.;

  • src/molecule_graph.cpp

    rbdedb1 r6d789df  
    317317    Walker->GraphNr = DFS.CurrentGraphNr;
    318318    Walker->LowpointNr = DFS.CurrentGraphNr;
    319     DoLog(1) && (Log() << Verbose(1) << "Setting Walker[" << Walker->Name << "]'s number to " << Walker->GraphNr << " with Lowpoint " << Walker->LowpointNr << "." << endl);
     319    DoLog(1) && (Log() << Verbose(1) << "Setting Walker[" << Walker->getName() << "]'s number to " << Walker->GraphNr << " with Lowpoint " << Walker->LowpointNr << "." << endl);
    320320    DFS.AtomStack->Push(Walker);
    321321    DFS.CurrentGraphNr++;
    … …  
    348348    Binder->MarkUsed(black);
    349349    OtherAtom = Binder->GetOtherAtom(Walker);
    350     DoLog(2) && (Log() << Verbose(2) << "(4) OtherAtom is " << OtherAtom->Name << "." << endl);
     350    DoLog(2) && (Log() << Verbose(2) << "(4) OtherAtom is " << OtherAtom->getName() << "." << endl);
    351351    if (OtherAtom->GraphNr != -1) {
    352352      // (4a) ... if "other" atom has been visited (GraphNr != 0), set lowpoint to minimum of both, go to (3)
    … …  
    354354      DFS.BackEdgeStack->Push(Binder);
    355355      Walker->LowpointNr = (Walker->LowpointNr < OtherAtom->GraphNr) ? Walker->LowpointNr : OtherAtom->GraphNr;
    356       DoLog(3) && (Log() << Verbose(3) << "(4a) Visited: Setting Lowpoint of Walker[" << Walker->Name << "] to " << Walker->LowpointNr << "." << endl);
     356      DoLog(3) && (Log() << Verbose(3) << "(4a) Visited: Setting Lowpoint of Walker[" << Walker->getName() << "] to " << Walker->LowpointNr << "." << endl);
    357357    } else {
    358358      // (4b) ... otherwise set OtherAtom as Ancestor of Walker and Walker as OtherAtom, go to (2)
    … …  
    360360      OtherAtom->Ancestor = Walker;
    361361      Walker = OtherAtom;
    362       DoLog(3) && (Log() << Verbose(3) << "(4b) Not Visited: OtherAtom[" << OtherAtom->Name << "]'s Ancestor is now " << OtherAtom->Ancestor->Name << ", Walker is OtherAtom " << OtherAtom->Name << "." << endl);
     362      DoLog(3) && (Log() << Verbose(3) << "(4b) Not Visited: OtherAtom[" << OtherAtom->getName() << "]'s Ancestor is now " << OtherAtom->Ancestor->getName() << ", Walker is OtherAtom " << OtherAtom->getName() << "." << endl);
    363363      break;
    364364    }
    … …  
    382382
    383383  // (5) if Ancestor of Walker is ...
    384   DoLog(1) && (Log() << Verbose(1) << "(5) Number of Walker[" << Walker->Name << "]'s Ancestor[" << Walker->Ancestor->Name << "] is " << Walker->Ancestor->GraphNr << "." << endl);
     384  DoLog(1) && (Log() << Verbose(1) << "(5) Number of Walker[" << Walker->getName() << "]'s Ancestor[" << Walker->Ancestor->getName() << "] is " << Walker->Ancestor->GraphNr << "." << endl);
    385385
    386386  if (Walker->Ancestor->GraphNr != DFS.Root->GraphNr) {
    … …  
    389389      // (6a) set Ancestor's Lowpoint number to minimum of of its Ancestor and itself, go to Step(8)
    390390      Walker->Ancestor->LowpointNr = (Walker->Ancestor->LowpointNr < Walker->LowpointNr) ? Walker->Ancestor->LowpointNr : Walker->LowpointNr;
    391       DoLog(2) && (Log() << Verbose(2) << "(6) Setting Walker[" << Walker->Name << "]'s Ancestor[" << Walker->Ancestor->Name << "]'s Lowpoint to " << Walker->Ancestor->LowpointNr << "." << endl);
     391      DoLog(2) && (Log() << Verbose(2) << "(6) Setting Walker[" << Walker->getName() << "]'s Ancestor[" << Walker->Ancestor->getName() << "]'s Lowpoint to " << Walker->Ancestor->LowpointNr << "." << endl);
    392392    } else {
    393393      // (7) (Ancestor of Walker is a separating vertex, remove all from stack till Walker (including), these and Ancestor form a component
    394394      Walker->Ancestor->SeparationVertex = true;
    395       DoLog(2) && (Log() << Verbose(2) << "(7) Walker[" << Walker->Name << "]'s Ancestor[" << Walker->Ancestor->Name << "]'s is a separating vertex, creating component." << endl);
     395      DoLog(2) && (Log() << Verbose(2) << "(7) Walker[" << Walker->getName() << "]'s Ancestor[" << Walker->Ancestor->getName() << "]'s is a separating vertex, creating component." << endl);
    396396      mol->SetNextComponentNumber(Walker->Ancestor, DFS.ComponentNumber);
    397       DoLog(3) && (Log() << Verbose(3) << "(7) Walker[" << Walker->Name << "]'s Ancestor's Compont is " << DFS.ComponentNumber << "." << endl);
     397      DoLog(3) && (Log() << Verbose(3) << "(7) Walker[" << Walker->getName() << "]'s Ancestor's Compont is " << DFS.ComponentNumber << "." << endl);
    398398      mol->SetNextComponentNumber(Walker, DFS.ComponentNumber);
    399       DoLog(3) && (Log() << Verbose(3) << "(7) Walker[" << Walker->Name << "]'s Compont is " << DFS.ComponentNumber << "." << endl);
     399      DoLog(3) && (Log() << Verbose(3) << "(7) Walker[" << Walker->getName() << "]'s Compont is " << DFS.ComponentNumber << "." << endl);
    400400      do {
    401401        OtherAtom = DFS.AtomStack->PopLast();
    402402        LeafWalker->Leaf->AddCopyAtom(OtherAtom);
    403403        mol->SetNextComponentNumber(OtherAtom, DFS.ComponentNumber);
    404         DoLog(3) && (Log() << Verbose(3) << "(7) Other[" << OtherAtom->Name << "]'s Compont is " << DFS.ComponentNumber << "." << endl);
     404        DoLog(3) && (Log() << Verbose(3) << "(7) Other[" << OtherAtom->getName() << "]'s Compont is " << DFS.ComponentNumber << "." << endl);
    405405      } while (OtherAtom != Walker);
    406406      DFS.ComponentNumber++;
    407407    }
    408408    // (8) Walker becomes its Ancestor, go to (3)
    409     DoLog(2) && (Log() << Verbose(2) << "(8) Walker[" << Walker->Name << "] is now its Ancestor " << Walker->Ancestor->Name << ", backstepping. " << endl);
     409    DoLog(2) && (Log() << Verbose(2) << "(8) Walker[" << Walker->getName() << "] is now its Ancestor " << Walker->Ancestor->getName() << ", backstepping. " << endl);
    410410    Walker = Walker->Ancestor;
    411411    DFS.BackStepping = true;
    … …  
    431431    //DFS.AtomStack->Output(out);
    432432    mol->SetNextComponentNumber(DFS.Root, DFS.ComponentNumber);
    433     DoLog(3) && (Log() << Verbose(3) << "(9) Root[" << DFS.Root->Name << "]'s Component is " << DFS.ComponentNumber << "." << endl);
     433    DoLog(3) && (Log() << Verbose(3) << "(9) Root[" << DFS.Root->getName() << "]'s Component is " << DFS.ComponentNumber << "." << endl);
    434434    mol->SetNextComponentNumber(Walker, DFS.ComponentNumber);
    435     DoLog(3) && (Log() << Verbose(3) << "(9) Walker[" << Walker->Name << "]'s Component is " << DFS.ComponentNumber << "." << endl);
     435    DoLog(3) && (Log() << Verbose(3) << "(9) Walker[" << Walker->getName() << "]'s Component is " << DFS.ComponentNumber << "." << endl);
    436436    do {
    437437      OtherAtom = DFS.AtomStack->PopLast();
    438438      LeafWalker->Leaf->AddCopyAtom(OtherAtom);
    439439      mol->SetNextComponentNumber(OtherAtom, DFS.ComponentNumber);
    440       DoLog(3) && (Log() << Verbose(3) << "(7) Other[" << OtherAtom->Name << "]'s Compont is " << DFS.ComponentNumber << "." << endl);
     440      DoLog(3) && (Log() << Verbose(3) << "(7) Other[" << OtherAtom->getName() << "]'s Compont is " << DFS.ComponentNumber << "." << endl);
    441441    } while (OtherAtom != Walker);
    442442    DFS.ComponentNumber++;
    … …  
    445445    Walker = DFS.Root;
    446446    Binder = mol->FindNextUnused(Walker);
    447     DoLog(1) && (Log() << Verbose(1) << "(10) Walker is Root[" << DFS.Root->Name << "], next Unused Bond is " << Binder << "." << endl);
     447    DoLog(1) && (Log() << Verbose(1) << "(10) Walker is Root[" << DFS.Root->getName() << "], next Unused Bond is " << Binder << "." << endl);
    448448    if (Binder != NULL) { // Root is separation vertex
    449449      DoLog(1) && (Log() << Verbose(1) << "(11) Root is a separation vertex." << endl);
    … …  
    692692        if (OtherAtom->type->Z != 1) {
    693693#endif
    694         DoLog(2) && (Log() << Verbose(2) << "Current OtherAtom is: " << OtherAtom->Name << " for bond " << *(*Runner) << "." << endl);
     694        DoLog(2) && (Log() << Verbose(2) << "Current OtherAtom is: " << OtherAtom->getName() << " for bond " << *(*Runner) << "." << endl);
    695695        if (BFS.ColorList[OtherAtom->nr] == white) {
    696696          BFS.TouchedStack->Push(OtherAtom);
    … …  
    698698          BFS.PredecessorList[OtherAtom->nr] = Walker; // Walker is the predecessor
    699699          BFS.ShortestPathList[OtherAtom->nr] = BFS.ShortestPathList[Walker->nr] + 1;
    700           DoLog(2) && (Log() << Verbose(2) << "Coloring OtherAtom " << OtherAtom->Name << " lightgray, its predecessor is " << Walker->Name << " and its Shortest Path is " << BFS.ShortestPathList[OtherAtom->nr] << " egde(s) long." << endl);
     700          DoLog(2) && (Log() << Verbose(2) << "Coloring OtherAtom " << OtherAtom->getName() << " lightgray, its predecessor is " << Walker->getName() << " and its Shortest Path is " << BFS.ShortestPathList[OtherAtom->nr] << " egde(s) long." << endl);
    701701          //if (BFS.ShortestPathList[OtherAtom->nr] < MinimumRingSize[Walker->GetTrueFather()->nr]) { // Check for maximum distance
    702702          DoLog(3) && (Log() << Verbose(3) << "Putting OtherAtom into queue." << endl);
    … …  
    719719    }
    720720    BFS.ColorList[Walker->nr] = black;
    721     DoLog(1) && (Log() << Verbose(1) << "Coloring Walker " << Walker->Name << " black." << endl);
     721    DoLog(1) && (Log() << Verbose(1) << "Coloring Walker " << Walker->getName() << " black." << endl);
    722722    if (OtherAtom == BFS.Root) { // if we have found the root, check whether this cycle wasn't already found beforehand
    723723      // step through predecessor list
    … …  
    770770    Walker = BFS.Root;
    771771    while (Walker != BackEdge->rightatom) {
    772       DoLog(0) && (Log() << Verbose(0) << Walker->Name << " <-> ");
     772      DoLog(0) && (Log() << Verbose(0) << Walker->getName() << " <-> ");
    773773      Walker = BFS.PredecessorList[Walker->nr];
    774774      Walker->GetTrueFather()->IsCyclic = true;
    775775      RingSize++;
    776776    }
    777     DoLog(0) && (Log() << Verbose(0) << Walker->Name << "  with a length of " << RingSize << "." << endl << endl);
     777    DoLog(0) && (Log() << Verbose(0) << Walker->getName() << "  with a length of " << RingSize << "." << endl << endl);
    778778    // walk through all and set MinimumRingSize
    779779    Walker = BFS.Root;
    … …  
    12331233  BFS.PredecessorList[OtherAtom->nr] = Walker; // Walker is the predecessor
    12341234  BFS.ShortestPathList[OtherAtom->nr] = BFS.ShortestPathList[Walker->nr] + 1;
    1235   DoLog(2) && (Log() << Verbose(2) << "Coloring OtherAtom " << OtherAtom->Name << " " << ((BFS.ColorList[OtherAtom->nr] == white) ? "white" : "lightgray") << ", its predecessor is " << Walker->Name << " and its Shortest Path is " << BFS.ShortestPathList[OtherAtom->nr] << " egde(s) long." << endl);
     1235  DoLog(2) && (Log() << Verbose(2) << "Coloring OtherAtom " << OtherAtom->getName() << " " << ((BFS.ColorList[OtherAtom->nr] == white) ? "white" : "lightgray") << ", its predecessor is " << Walker->getName() << " and its Shortest Path is " << BFS.ShortestPathList[OtherAtom->nr] << " egde(s) long." << endl);
    12361236  if ((((BFS.ShortestPathList[OtherAtom->nr] < BFS.BondOrder) && (Binder != Bond)))) { // Check for maximum distance
    12371237    DoLog(3) && (Log() << Verbose(3));
    12381238    if (AddedAtomList[OtherAtom->nr] == NULL) { // add if it's not been so far
    12391239      AddedAtomList[OtherAtom->nr] = Mol->AddCopyAtom(OtherAtom);
    1240       DoLog(0) && (Log() << Verbose(0) << "Added OtherAtom " << OtherAtom->Name);
     1240      DoLog(0) && (Log() << Verbose(0) << "Added OtherAtom " << OtherAtom->getName());
    12411241      AddedBondList[Binder->nr] = Mol->CopyBond(AddedAtomList[Walker->nr], AddedAtomList[OtherAtom->nr], Binder);
    12421242      DoLog(0) && (Log() << Verbose(0) << " and bond " << *(AddedBondList[Binder->nr]) << ", ");
    12431243    } else { // this code should actually never come into play (all white atoms are not yet present in BondMolecule, that's why they are white in the first place)
    1244       DoLog(0) && (Log() << Verbose(0) << "Not adding OtherAtom " << OtherAtom->Name);
     1244      DoLog(0) && (Log() << Verbose(0) << "Not adding OtherAtom " << OtherAtom->getName());
    12451245      if (AddedBondList[Binder->nr] == NULL) {
    12461246        AddedBondList[Binder->nr] = Mol->CopyBond(AddedAtomList[Walker->nr], AddedAtomList[OtherAtom->nr], Binder);
    … …  
    13221322    // followed by n+1 till top of stack.
    13231323    Walker = BFS.BFSStack->PopFirst(); // pop oldest added
    1324     DoLog(1) && (Log() << Verbose(1) << "Current Walker is: " << Walker->Name << ", and has " << Walker->ListOfBonds.size() << " bonds." << endl);
     1324    DoLog(1) && (Log() << Verbose(1) << "Current Walker is: " << Walker->getName() << ", and has " << Walker->ListOfBonds.size() << " bonds." << endl);
    13251325    for (BondList::const_iterator Runner = Walker->ListOfBonds.begin(); Runner != Walker->ListOfBonds.end(); (++Runner)) {
    13261326      if ((*Runner) != NULL) { // don't look at bond equal NULL
    13271327        Binder = (*Runner);
    13281328        OtherAtom = (*Runner)->GetOtherAtom(Walker);
    1329         DoLog(2) && (Log() << Verbose(2) << "Current OtherAtom is: " << OtherAtom->Name << " for bond " << *(*Runner) << "." << endl);
     1329        DoLog(2) && (Log() << Verbose(2) << "Current OtherAtom is: " << OtherAtom->getName() << " for bond " << *(*Runner) << "." << endl);
    13301330        if (BFS.ColorList[OtherAtom->nr] == white) {
    13311331          BreadthFirstSearchAdd_UnvisitedNode(Mol, BFS, Walker, OtherAtom, Binder, Bond, AddedAtomList, AddedBondList, IsAngstroem);
    … …  
    13361336    }
    13371337    BFS.ColorList[Walker->nr] = black;
    1338     DoLog(1) && (Log() << Verbose(1) << "Coloring Walker " << Walker->Name << " black." << endl);
     1338    DoLog(1) && (Log() << Verbose(1) << "Coloring Walker " << Walker->getName() << " black." << endl);
    13391339  }
    13401340  BreadthFirstSearchAdd_Free(BFS);
    … …  
    14031403          OtherAtom = (*Runner)->GetOtherAtom(Walker);
    14041404          if (ParentList[OtherAtom->nr] != NULL) { // if otheratom is also a father of an atom on this molecule, create the bond
    1405             DoLog(4) && (Log() << Verbose(4) << "Endpoints of Bond " << (*Runner) << " are both present: " << ParentList[Walker->nr]->Name << " and " << ParentList[OtherAtom->nr]->Name << "." << endl);
     1405            DoLog(4) && (Log() << Verbose(4) << "Endpoints of Bond " << (*Runner) << " are both present: " << ParentList[Walker->nr]->getName() << " and " << ParentList[OtherAtom->nr]->getName() << "." << endl);
    14061406            mol->AddBond(ParentList[Walker->nr], ParentList[OtherAtom->nr], (*Runner)->BondDegree);
    14071407          }

  • src/moleculelist.cpp

    rbdedb1 r6d789df  
    677677    while (Walker->next != (*ListRunner)->end) {
    678678      Walker = Walker->next;
    679       DoLog(0) && (Log() << Verbose(0) << Walker->Name << " ");
     679      DoLog(0) && (Log() << Verbose(0) << Walker->getName() << " ");
    680680    }
    681681    DoLog(0) && (Log() << Verbose(0) << endl);

  • src/parser.cpp

    rbdedb1 r6d789df  
    3232  if (input == NULL) {
    3333    if (!test)
    34       DoLog(0) && (Log() << Verbose(0) << endl << "Unable to open " << filename << ", is the directory correct?" << endl);
     34      DoLog(0) && (Log() << Verbose(0) << endl << "FilePresent: Unable to open " << filename << ", is the directory correct?" << endl);
    3535    return false;
    3636  }
    … …  
    160160  //Log() << Verbose(1) << "Opening " << name << " ... "  << input << endl;
    161161  if (input == NULL) {
    162     DoeLog(1) && (eLog()<< Verbose(1) << endl << "Unable to open " << name << ", is the directory correct?" << endl);
     162    DoeLog(1) && (eLog()<< Verbose(1) << endl << "MatrixContainer::ParseMatrix: Unable to open " << name << ", is the directory correct?" << endl);
    163163    //performCriticalExit();
    164164    return false;
    … …  
    269269  input.open(file.str().c_str(), ios::in);
    270270  if (input == NULL) {
    271     DoLog(0) && (Log() << Verbose(0) << endl << "Unable to open " << file.str() << ", is the directory correct?" << endl);
     271    DoLog(0) && (Log() << Verbose(0) << endl << "MatrixContainer::ParseFragmentMatrix: Unable to open " << file.str() << ", is the directory correct?" << endl);
    272272    return false;
    273273  }
    … …  
    477477    output.open(line.str().c_str(), ios::out);
    478478    if (output == NULL) {
    479       DoeLog(0) && (eLog()<< Verbose(0) << "Unable to open output energy file " << line.str() << "!" << endl);
     479      DoeLog(0) && (eLog()<< Verbose(0) << "MatrixContainer::WriteTotalFragments: Unable to open output energy file " << line.str() << "!" << endl);
    480480      performCriticalExit();
    481481      return false;
    … …  
    507507  output.open(line.str().c_str(), ios::out);
    508508  if (output == NULL) {
    509     DoeLog(0) && (eLog()<< Verbose(0) << "Unable to open output matrix file " << line.str() << "!" << endl);
     509    DoeLog(0) && (eLog()<< Verbose(0) << "MatrixContainer::WriteLastMatrix: Unable to open output matrix file " << line.str() << "!" << endl);
    510510    performCriticalExit();
    511511    return false;
    … …  
    621621  //Log() << Verbose(0) << "Opening " << line.str() << " ... "  << input << endl;
    622622  if (input == NULL) {
    623     DoLog(0) && (Log() << Verbose(0) << endl << "Unable to open " << line.str() << ", is the directory correct?" << endl);
     623    DoLog(0) && (Log() << Verbose(0) << endl << "ForceMatrix::ParseIndices: Unable to open " << line.str() << ", is the directory correct?" << endl);
    624624    return false;
    625625  }
    … …  
    700700    input.open(file.str().c_str(), ios::in);
    701701    if (input == NULL) {
    702       DoLog(0) && (Log() << Verbose(0) << endl << "Unable to open " << file.str() << ", is the directory correct?" << endl);
     702      DoLog(0) && (Log() << Verbose(0) << endl << "ForceMatrix::ParseFragmentMatrix: Unable to open " << file.str() << ", is the directory correct?" << endl);
    703703      return false;
    704704    }
    … …  
    759759  //Log() << Verbose(0) << "Opening " << line.str() << " ... "  << input << endl;
    760760  if (input == NULL) {
    761     DoLog(0) && (Log() << Verbose(0) << endl << "Unable to open " << line.str() << ", is the directory correct?" << endl);
     761    DoLog(0) && (Log() << Verbose(0) << endl << "HessianMatrix::ParseIndices: Unable to open " << line.str() << ", is the directory correct?" << endl);
    762762    return false;
    763763  }
    … …  
    930930    input.open(file.str().c_str(), ios::in);
    931931    if (input == NULL) {
    932       DoLog(0) && (Log() << Verbose(0) << endl << "Unable to open " << file.str() << ", is the directory correct?" << endl);
     932      DoLog(0) && (Log() << Verbose(0) << endl << "HessianMatrix::ParseFragmentMatrix: Unable to open " << file.str() << ", is the directory correct?" << endl);
    933933      return false;
    934934    }
    … …  
    10141014  input.open(file.str().c_str(), ios::in);
    10151015  if (input == NULL) {
    1016     DoLog(0) && (Log() << Verbose(0) << endl << "Unable to open " << file.str() << ", is the directory correct?" << endl);
     1016    DoLog(0) && (Log() << Verbose(0) << endl << "KeySetsContainer::ParseKeySets: Unable to open " << file.str() << ", is the directory correct?" << endl);
    10171017    return false;
    10181018  }

  • src/tesselation.cpp

    rbdedb1 r6d789df  
    8383ostream & operator <<(ostream &ost, const BoundaryPointSet &a)
    8484{
    85   ost << "[" << a.Nr << "|" << a.node->Name << " at " << *a.node->node << "]";
     85  ost << "[" << a.Nr << "|" << a.node->getName() << " at " << *a.node->node << "]";
    8686  return ost;
    8787}
    … …  
    321321ostream & operator <<(ostream &ost, const BoundaryLineSet &a)
    322322{
    323   ost << "[" << a.Nr << "|" << a.endpoints[0]->node->Name << " at " << *a.endpoints[0]->node->node << "," << a.endpoints[1]->node->Name << " at " << *a.endpoints[1]->node->node << "]";
     323  ost << "[" << a.Nr << "|" << a.endpoints[0]->node->getName() << " at " << *a.endpoints[0]->node->node << "," << a.endpoints[1]->node->getName() << " at " << *a.endpoints[1]->node->node << "]";
    324324  return ost;
    325325}
    … …  
    688688ostream &operator <<(ostream &ost, const BoundaryTriangleSet &a)
    689689{
    690   ost << "[" << a.Nr << "|" << a.endpoints[0]->node->Name << "," << a.endpoints[1]->node->Name << "," << a.endpoints[2]->node->Name << "]";
     690  ost << "[" << a.Nr << "|" << a.endpoints[0]->node->getName() << "," << a.endpoints[1]->node->getName() << "," << a.endpoints[2]->node->getName() << "]";
    691691  //  ost << "[" << a.Nr << "|" << a.endpoints[0]->node->Name << " at " << *a.endpoints[0]->node->node << ","
    692692  //      << a.endpoints[1]->node->Name << " at " << *a.endpoints[1]->node->node << "," << a.endpoints[2]->node->Name << " at " << *a.endpoints[2]->node->node << "]";
    … …  
    948948  ost << "[" << a.Nr << "|";
    949949  for (PointSet::const_iterator Runner = a.endpoints.begin(); Runner != a.endpoints.end();) {
    950     ost << (*Runner)->node->Name;
     950    ost << (*Runner)->node->getName();
    951951    Runner++;
    952952    if (Runner != a.endpoints.end())
    … …  
    967967  node = NULL;
    968968  nr = -1;
    969   Name = NULL;
    970969}
    971970;
    … …  
    983982ostream & operator <<(ostream &ost, const TesselPoint &a)
    984983{
    985   ost << "[" << (a.Name) << "|" << a.Name << " at " << *a.node << "]";
     984  ost << "[" << a.getName() << "|" << *a.node << "]";
    986985  return ost;
    987986}
    … …  
    11351134ostream & operator <<(ostream &ost, const CandidateForTesselation &a)
    11361135{
    1137   ost << "[" << a.BaseLine->Nr << "|" << a.BaseLine->endpoints[0]->node->Name << "," << a.BaseLine->endpoints[1]->node->Name << "] with ";
     1136  ost << "[" << a.BaseLine->Nr << "|" << a.BaseLine->endpoints[0]->node->getName() << "," << a.BaseLine->endpoints[1]->node->getName() << "] with ";
    11381137  if (a.pointlist.empty())
    11391138    ost << "no candidate.";
    … …  
    13481347      if (fabs(distance) < 1e-4) // we need to have a small epsilon around 0 which is still ok
    13491348        continue;
    1350       DoLog(2) && (Log() << Verbose(2) << "Projection of " << checker->second->node->Name << " yields distance of " << distance << "." << endl);
     1349      DoLog(2) && (Log() << Verbose(2) << "Projection of " << checker->second->node->getName() << " yields distance of " << distance << "." << endl);
    13511350      tmp = distance / fabs(distance);
    13521351      // 4b. Any have different sign to than before? (i.e. would lie outside convex hull with this starting triangle)
    13531352      if ((sign != 0) && (tmp != sign)) {
    13541353        // 4c. If so, break 4. loop and continue with next candidate in 1. loop
    1355         DoLog(2) && (Log() << Verbose(2) << "Current candidates: " << A->second->node->Name << "," << baseline->second.first->second->node->Name << "," << baseline->second.second->second->node->Name << " leaves " << checker->second->node->Name << " outside the convex hull." << endl);
     1354        DoLog(2) && (Log() << Verbose(2) << "Current candidates: " << A->second->node->getName() << "," << baseline->second.first->second->node->getName() << "," << baseline->second.second->second->node->getName() << " leaves " << checker->second->node->getName() << " outside the convex hull." << endl);
    13561355        break;
    13571356      } else { // note the sign for later
    1358         DoLog(2) && (Log() << Verbose(2) << "Current candidates: " << A->second->node->Name << "," << baseline->second.first->second->node->Name << "," << baseline->second.second->second->node->Name << " leave " << checker->second->node->Name << " inside the convex hull." << endl);
     1357        DoLog(2) && (Log() << Verbose(2) << "Current candidates: " << A->second->node->getName() << "," << baseline->second.first->second->node->getName() << "," << baseline->second.second->second->node->getName() << " leave " << checker->second->node->getName() << " inside the convex hull." << endl);
    13591358        sign = tmp;
    13601359      }
    … …  
    42924291        DoLog(2) && (Log() << Verbose(2) << "INFO: MiddleNode is " << **MiddleNode << "." << endl);
    42934292        DoLog(2) && (Log() << Verbose(2) << "INFO: EndNode is " << **EndNode << "." << endl);
    4294         DoLog(1) && (Log() << Verbose(1) << "INFO: Attempting to create triangle " << (*StartNode)->Name << ", " << (*MiddleNode)->Name << " and " << (*EndNode)->Name << "." << endl);
     4293        DoLog(1) && (Log() << Verbose(1) << "INFO: Attempting to create triangle " << (*StartNode)->getName() << ", " << (*MiddleNode)->getName() << " and " << (*EndNode)->getName() << "." << endl);
    42954294        TriangleCandidates[0] = *StartNode;
    42964295        TriangleCandidates[1] = *MiddleNode;
    … …  
    47144713    return;
    47154714  }
    4716   DoLog(0) && (Log() << Verbose(0) << "Nearest point on boundary is " << NearestPoint->Name << "." << endl);
     4715  DoLog(0) && (Log() << Verbose(0) << "Nearest point on boundary is " << NearestPoint->getName() << "." << endl);
    47174716
    47184717  // go through its lines and find the best one to split
    … …  
    47994798  ofstream *tempstream = NULL;
    48004799  string NameofTempFile;
    4801   char NumberName[255];
     4800  string NumberName;
    48024801
    48034802  if (LastTriangle != NULL) {
    4804     sprintf(NumberName, "-%04d-%s_%s_%s", (int) TrianglesOnBoundary.size(), LastTriangle->endpoints[0]->node->Name, LastTriangle->endpoints[1]->node->Name, LastTriangle->endpoints[2]->node->Name);
     4803    stringstream sstr;
     4804    sstr << "-"<< TrianglesOnBoundary.size() << "-" << LastTriangle->endpoints[0]->node->getName() << "_" << LastTriangle->endpoints[1]->node->getName() << "_" << LastTriangle->endpoints[2]->node->getName();
     4805    NumberName = sstr.str();
    48054806    if (DoTecplotOutput) {
    48064807      string NameofTempFile(filename);

  • src/tesselationhelpers.cpp

    rbdedb1 r6d789df  
    829829      if (TesselStruct->LastTriangle != NULL) {
    830830        for (int i=0;i<3;i++)
    831           *tecplot << (i==0 ? "" : "_") << TesselStruct->LastTriangle->endpoints[i]->node->Name;
     831          *tecplot << (i==0 ? "" : "_") << TesselStruct->LastTriangle->endpoints[i]->node->getName();
    832832      } else {
    833833        *tecplot << "none";
    … …  
    852852    DoLog(1) && (Log() << Verbose(1) << "The following triangles were created:" << endl);
    853853    for (TriangleMap::const_iterator runner = TesselStruct->TrianglesOnBoundary.begin(); runner != TesselStruct->TrianglesOnBoundary.end(); runner++) {
    854       DoLog(1) && (Log() << Verbose(1) << " " << runner->second->endpoints[0]->node->Name << "<->" << runner->second->endpoints[1]->node->Name << "<->" << runner->second->endpoints[2]->node->Name << endl);
     854      DoLog(1) && (Log() << Verbose(1) << " " << runner->second->endpoints[0]->node->getName() << "<->" << runner->second->endpoints[1]->node->getName() << "<->" << runner->second->endpoints[2]->node->getName() << endl);
    855855      *tecplot << LookupList[runner->second->endpoints[0]->node->nr] << " " << LookupList[runner->second->endpoints[1]->node->nr] << " " << LookupList[runner->second->endpoints[2]->node->nr] << endl;
    856856    }

  • src/unittests/LinkedCellUnitTest.cpp

    rbdedb1 r6d789df  
    205205  // check internal vectors, returns false, because this atom is not in LC-list!
    206206  Walker = World::getInstance().createAtom();
    207   Walker->Name = Malloc<char>(6, "LinkedCellTest::SetIndexToNodeTest - Walker");
    208   strcpy(Walker->Name, "test");
     207  Walker->setName("test");
    209208  Walker->x= Vector(1,1,1);
    210209  CPPUNIT_ASSERT_EQUAL( false, LC->SetIndexToNode(Walker) );
    … …  
    213212  // check out of bounds vectors
    214213  Walker = World::getInstance().createAtom();
    215   Walker->Name = Malloc<char>(6, "LinkedCellTest::SetIndexToNodeTest - Walker");
    216   strcpy(Walker->Name, "test");
     214  Walker->setName("test");
    217215  Walker->x = Vector(0,-1,0);
    218216  CPPUNIT_ASSERT_EQUAL( false, LC->SetIndexToNode(Walker) );

  • src/unittests/tesselation_boundarytriangleunittest.cpp

    rbdedb1 r6d789df  
    3737  tesselpoints[0] = new TesselPoint;
    3838  tesselpoints[0]->node = new Vector(0., 0., 0.);
    39   tesselpoints[0]->Name = Malloc<char>(3, "TesselationBoundaryTriangleTest::setUp - *Name");
    40   strcpy(tesselpoints[0]->Name, "1");
     39  tesselpoints[0]->setName("1");
    4140  tesselpoints[0]->nr = 1;
    4241  points[0] = new BoundaryPointSet(tesselpoints[0]);
    4342  tesselpoints[1] = new TesselPoint;
    4443  tesselpoints[1]->node = new Vector(0., 1., 0.);
    45   tesselpoints[1]->Name = Malloc<char>(3, "TesselationBoundaryTriangleTest::setUp - *Name");
    46   strcpy(tesselpoints[1]->Name, "2");
     44  tesselpoints[1]->setName("2");
    4745  tesselpoints[1]->nr = 2;
    4846  points[1] = new BoundaryPointSet(tesselpoints[1]);
    4947  tesselpoints[2] = new TesselPoint;
    50   tesselpoints[2] ->node = new Vector(1., 0., 0.);
    51   tesselpoints[2] ->Name = Malloc<char>(3, "TesselationBoundaryTriangleTest::setUp - *Name");
    52   strcpy(tesselpoints[2] ->Name, "3");
    53   tesselpoints[2] ->nr = 3;
     48  tesselpoints[2]->node = new Vector(1., 0., 0.);
     49  tesselpoints[2]->setName("3");
     50  tesselpoints[2]->nr = 3;
    5451  points[2] = new BoundaryPointSet(tesselpoints[2] );
    5552

  • src/unittests/tesselation_insideoutsideunittest.cpp

    rbdedb1 r6d789df  
    3838  Walker = new TesselPoint;
    3939  Walker->node = new Vector(0., 0., 0.);
    40   Walker->Name = Malloc<char>(3, "TesselationInOutsideTest::setUp - *Name");
    41   strcpy(Walker->Name, "1");
     40  Walker->setName("1");
    4241  Walker->nr = 1;
    4342  Corners.push_back(Walker);
    4443  Walker = new TesselPoint;
    4544  Walker->node = new Vector(0., 1., 0.);
    46   Walker->Name = Malloc<char>(3, "TesselationInOutsideTest::setUp - *Name");
    47   strcpy(Walker->Name, "2");
     45  Walker->setName("2");
    4846  Walker->nr = 2;
    4947  Corners.push_back(Walker);
    5048  Walker = new TesselPoint;
    5149  Walker->node = new Vector(1., 0., 0.);
    52   Walker->Name = Malloc<char>(3, "TesselationInOutsideTest::setUp - *Name");
    53   strcpy(Walker->Name, "3");
     50  Walker->setName("3");
    5451  Walker->nr = 3;
    5552  Corners.push_back(Walker);
    5653  Walker = new TesselPoint;
    5754  Walker->node = new Vector(1., 1., 0.);
    58   Walker->Name = Malloc<char>(3, "TesselationInOutsideTest::setUp - *Name");
    59   strcpy(Walker->Name, "4");
     55  Walker->setName("4");
    6056  Walker->nr = 4;
    6157  Corners.push_back(Walker);
    6258  Walker = new TesselPoint;
    6359  Walker->node = new Vector(0., 0., 1.);
    64   Walker->Name = Malloc<char>(3, "TesselationInOutsideTest::setUp - *Name");
    65   strcpy(Walker->Name, "5");
     60  Walker->setName("5");
    6661  Walker->nr = 5;
    6762  Corners.push_back(Walker);
    6863  Walker = new TesselPoint;
    6964  Walker->node = new Vector(0., 1., 1.);
    70   Walker->Name = Malloc<char>(3, "TesselationInOutsideTest::setUp - *Name");
    71   strcpy(Walker->Name, "6");
     65  Walker->setName("6");
    7266  Walker->nr = 6;
    7367  Corners.push_back(Walker);
    7468  Walker = new TesselPoint;
    7569  Walker->node = new Vector(1., 0., 1.);
    76   Walker->Name = Malloc<char>(3, "TesselationInOutsideTest::setUp - *Name");
    77   strcpy(Walker->Name, "7");
     70  Walker->setName("7");
    7871  Walker->nr = 7;
    7972  Corners.push_back(Walker);
    8073  Walker = new TesselPoint;
    8174  Walker->node = new Vector(1., 1., 1.);
    82   Walker->Name = Malloc<char>(3, "TesselationInOutsideTest::setUp - *Name");
    83   strcpy(Walker->Name, "8");
     75  Walker->setName("8");
    8476  Walker->nr = 8;
    8577  Corners.push_back(Walker);

  • src/unittests/tesselationunittest.cpp

    rbdedb1 r6d789df  
    3737  Walker = new TesselPoint;
    3838  Walker->node = new Vector(1., 0., -1.);
    39   Walker->Name = Malloc<char>(3, "TesselationTest::setUp");
    40   strcpy(Walker->Name, "1");
     39  Walker->setName("1");
    4140  Walker->nr = 1;
    4241  Corners.push_back(Walker);
    4342  Walker = new TesselPoint;
    4443  Walker->node = new Vector(-1., 1., -1.);
    45   Walker->Name = Malloc<char>(3, "TesselationTest::setUp");
    46   strcpy(Walker->Name, "2");
     44  Walker->setName("2");
    4745  Walker->nr = 2;
    4846  Corners.push_back(Walker);
    4947  Walker = new TesselPoint;
    5048  Walker->node = new Vector(-1., -1., -1.);
    51   Walker->Name = Malloc<char>(3, "TesselationTest::setUp");
    52   strcpy(Walker->Name, "3");
     49  Walker->setName("3");
    5350  Walker->nr = 3;
    5451  Corners.push_back(Walker);
    5552  Walker = new TesselPoint;
    5653  Walker->node = new Vector(-1., 0., 1.);
    57   Walker->Name = Malloc<char>(3, "TesselationTest::setUp");
    58   strcpy(Walker->Name, "4");
     54  Walker->setName("4");
    5955  Walker->nr = 4;
    6056  Corners.push_back(Walker);
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