Changeset a67d19 for src/boundary.cpp


Ignore:
Timestamp:
Apr 22, 2010, 2:00:03 PM (15 years ago)
Author:
Frederik Heber <heber@…>
Branches:
Action_Thermostats, Add_AtomRandomPerturbation, Add_FitFragmentPartialChargesAction, Add_RotateAroundBondAction, Add_SelectAtomByNameAction, Added_ParseSaveFragmentResults, AddingActions_SaveParseParticleParameters, Adding_Graph_to_ChangeBondActions, Adding_MD_integration_tests, Adding_ParticleName_to_Atom, Adding_StructOpt_integration_tests, AtomFragments, Automaking_mpqc_open, AutomationFragmentation_failures, Candidate_v1.5.4, Candidate_v1.6.0, Candidate_v1.6.1, ChangeBugEmailaddress, ChangingTestPorts, ChemicalSpaceEvaluator, CombiningParticlePotentialParsing, Combining_Subpackages, Debian_Package_split, Debian_package_split_molecuildergui_only, Disabling_MemDebug, Docu_Python_wait, EmpiricalPotential_contain_HomologyGraph, EmpiricalPotential_contain_HomologyGraph_documentation, Enable_parallel_make_install, Enhance_userguide, Enhanced_StructuralOptimization, Enhanced_StructuralOptimization_continued, Example_ManyWaysToTranslateAtom, Exclude_Hydrogens_annealWithBondGraph, FitPartialCharges_GlobalError, Fix_BoundInBox_CenterInBox_MoleculeActions, Fix_ChargeSampling_PBC, Fix_ChronosMutex, Fix_FitPartialCharges, Fix_FitPotential_needs_atomicnumbers, Fix_ForceAnnealing, Fix_IndependentFragmentGrids, Fix_ParseParticles, Fix_ParseParticles_split_forward_backward_Actions, Fix_PopActions, Fix_QtFragmentList_sorted_selection, Fix_Restrictedkeyset_FragmentMolecule, Fix_StatusMsg, Fix_StepWorldTime_single_argument, Fix_Verbose_Codepatterns, Fix_fitting_potentials, Fixes, ForceAnnealing_goodresults, ForceAnnealing_oldresults, ForceAnnealing_tocheck, ForceAnnealing_with_BondGraph, ForceAnnealing_with_BondGraph_continued, ForceAnnealing_with_BondGraph_continued_betteresults, ForceAnnealing_with_BondGraph_contraction-expansion, FragmentAction_writes_AtomFragments, FragmentMolecule_checks_bonddegrees, GeometryObjects, Gui_Fixes, Gui_displays_atomic_force_velocity, ImplicitCharges, IndependentFragmentGrids, IndependentFragmentGrids_IndividualZeroInstances, IndependentFragmentGrids_IntegrationTest, IndependentFragmentGrids_Sole_NN_Calculation, JobMarket_RobustOnKillsSegFaults, JobMarket_StableWorkerPool, JobMarket_unresolvable_hostname_fix, MoreRobust_FragmentAutomation, ODR_violation_mpqc_open, PartialCharges_OrthogonalSummation, PdbParser_setsAtomName, PythonUI_with_named_parameters, QtGui_reactivate_TimeChanged_changes, Recreated_GuiChecks, Rewrite_FitPartialCharges, RotateToPrincipalAxisSystem_UndoRedo, SaturateAtoms_findBestMatching, SaturateAtoms_singleDegree, StoppableMakroAction, Subpackage_CodePatterns, Subpackage_JobMarket, Subpackage_LinearAlgebra, Subpackage_levmar, Subpackage_mpqc_open, Subpackage_vmg, Switchable_LogView, ThirdParty_MPQC_rebuilt_buildsystem, TrajectoryDependenant_MaxOrder, TremoloParser_IncreasedPrecision, TremoloParser_MultipleTimesteps, TremoloParser_setsAtomName, Ubuntu_1604_changes, stable
Children:
299554
Parents:
6613ec
Message:

Huge change: Log() << Verbose(.) --> DoLog(.) && (Log() << Verbose(.) << ...);

Most of the files are affected, but this is necessary as if DoLog() says verbosity is not enough, all the stream operators won"t get executed which saves substantial amount of computation time.

Signed-off-by: Frederik Heber <heber@…>

File:
1 edited

Legend:

Unmodified
Added
Removed

  • src/boundary.cpp

    r6613ec ra67d19  
    5757  } else {
    5858    BoundaryPoints = BoundaryPtr;
    59     Log() << Verbose(0) << "Using given boundary points set." << endl;
     59    DoLog(0) && (Log() << Verbose(0) << "Using given boundary points set." << endl);
    6060  }
    6161  // determine biggest "diameter" of cluster for each axis
    … …  
    163163    AngleReferenceNormalVector.x[(axis + 2) % NDIM] = 1.;
    164164
    165     Log() << Verbose(1) << "Axisvector is " << AxisVector << " and AngleReferenceVector is " << AngleReferenceVector << ", and AngleReferenceNormalVector is " << AngleReferenceNormalVector << "." << endl;
     165    DoLog(1) && (Log() << Verbose(1) << "Axisvector is " << AxisVector << " and AngleReferenceVector is " << AngleReferenceVector << ", and AngleReferenceNormalVector is " << AngleReferenceNormalVector << "." << endl);
    166166
    167167    // 3b. construct set of all points, transformed into cylindrical system and with left and right neighbours
    … …  
    184184        angle = 2. * M_PI - angle;
    185185      }
    186       Log() << Verbose(1) << "Inserting " << *Walker << ": (r, alpha) = (" << radius << "," << angle << "): " << ProjectedVector << endl;
     186      DoLog(1) && (Log() << Verbose(1) << "Inserting " << *Walker << ": (r, alpha) = (" << radius << "," << angle << "): " << ProjectedVector << endl);
    187187      BoundaryTestPair = BoundaryPoints[axis].insert(BoundariesPair(angle, DistancePair (radius, Walker)));
    188188      if (!BoundaryTestPair.second) { // same point exists, check first r, then distance of original vectors to center of gravity
    189         Log() << Verbose(2) << "Encountered two vectors whose projection onto axis " << axis << " is equal: " << endl;
    190         Log() << Verbose(2) << "Present vector: " << *BoundaryTestPair.first->second.second << endl;
    191         Log() << Verbose(2) << "New vector: " << *Walker << endl;
     189        DoLog(2) && (Log() << Verbose(2) << "Encountered two vectors whose projection onto axis " << axis << " is equal: " << endl);
     190        DoLog(2) && (Log() << Verbose(2) << "Present vector: " << *BoundaryTestPair.first->second.second << endl);
     191        DoLog(2) && (Log() << Verbose(2) << "New vector: " << *Walker << endl);
    192192        const double ProjectedVectorNorm = ProjectedVector.NormSquared();
    193193        if ((ProjectedVectorNorm - BoundaryTestPair.first->second.first) > MYEPSILON) {
    194194          BoundaryTestPair.first->second.first = ProjectedVectorNorm;
    195195          BoundaryTestPair.first->second.second = Walker;
    196           Log() << Verbose(2) << "Keeping new vector due to larger projected distance " << ProjectedVectorNorm << "." << endl;
     196          DoLog(2) && (Log() << Verbose(2) << "Keeping new vector due to larger projected distance " << ProjectedVectorNorm << "." << endl);
    197197        } else if (fabs(ProjectedVectorNorm - BoundaryTestPair.first->second.first) < MYEPSILON) {
    198198          helper.CopyVector(&Walker->x);
    … …  
    203203          if (helper.NormSquared() < oldhelperNorm) {
    204204            BoundaryTestPair.first->second.second = Walker;
    205             Log() << Verbose(2) << "Keeping new vector due to larger distance to molecule center " << helper.NormSquared() << "." << endl;
     205            DoLog(2) && (Log() << Verbose(2) << "Keeping new vector due to larger distance to molecule center " << helper.NormSquared() << "." << endl);
    206206          } else {
    207             Log() << Verbose(2) << "Keeping present vector due to larger distance to molecule center " << oldhelperNorm << "." << endl;
     207            DoLog(2) && (Log() << Verbose(2) << "Keeping present vector due to larger distance to molecule center " << oldhelperNorm << "." << endl);
    208208          }
    209209        } else {
    210           Log() << Verbose(2) << "Keeping present vector due to larger projected distance " << ProjectedVectorNorm << "." << endl;
     210          DoLog(2) && (Log() << Verbose(2) << "Keeping present vector due to larger projected distance " << ProjectedVectorNorm << "." << endl);
    211211        }
    212212      }
    … …  
    227227    // 3c. throw out points whose distance is less than the mean of left and right neighbours
    228228    bool flag = false;
    229     Log() << Verbose(1) << "Looking for candidates to kick out by convex condition ... " << endl;
     229    DoLog(1) && (Log() << Verbose(1) << "Looking for candidates to kick out by convex condition ... " << endl);
    230230    do { // do as long as we still throw one out per round
    231231      flag = false;
    … …  
    282282          const double MinDistance = a * sin(beta) / (sin(delta)) * (((alpha < M_PI / 2.) || (gamma < M_PI / 2.)) ? 1. : -1.);
    283283          //Log() << Verbose(1) << " I calculated: a = " << a << ", h = " << h << ", beta(" << left->second.second->Name << "," << left->second.second->Name << "-" << right->second.second->Name << ") = " << beta << ", delta(" << left->second.second->Name << "," << runner->second.second->Name << ") = " << delta << ", Min = " << MinDistance << "." << endl;
    284           Log() << Verbose(1) << "Checking CoG distance of runner " << *runner->second.second << " " << h << " against triangle's side length spanned by (" << *left->second.second << "," << *right->second.second << ") of " << MinDistance << "." << endl;
     284          DoLog(1) && (Log() << Verbose(1) << "Checking CoG distance of runner " << *runner->second.second << " " << h << " against triangle's side length spanned by (" << *left->second.second << "," << *right->second.second << ") of " << MinDistance << "." << endl);
    285285          if ((fabs(h / fabs(h) - MinDistance / fabs(MinDistance)) < MYEPSILON) && ((h - MinDistance)) < -MYEPSILON) {
    286286            // throw out point
    287             Log() << Verbose(1) << "Throwing out " << *runner->second.second << "." << endl;
     287            DoLog(1) && (Log() << Verbose(1) << "Throwing out " << *runner->second.second << "." << endl);
    288288            BoundaryPoints[axis].erase(runner);
    289289            flag = true;
    … …  
    320320      BoundaryPoints = GetBoundaryPoints(mol, TesselStruct);
    321321  } else {
    322       Log() << Verbose(0) << "Using given boundary points set." << endl;
     322      DoLog(0) && (Log() << Verbose(0) << "Using given boundary points set." << endl);
    323323  }
    324324
    … …  
    326326  for (int axis=0; axis < NDIM; axis++)
    327327    {
    328       Log() << Verbose(1) << "Printing list of candidates for axis " << axis << " which we have inserted so far." << endl;
     328      DoLog(1) && (Log() << Verbose(1) << "Printing list of candidates for axis " << axis << " which we have inserted so far." << endl);
    329329      int i=0;
    330330      for(Boundaries::iterator runner = BoundaryPoints[axis].begin(); runner != BoundaryPoints[axis].end(); runner++) {
    331331        if (runner != BoundaryPoints[axis].begin())
    332           Log() << Verbose(0) << ", " << i << ": " << *runner->second.second;
     332          DoLog(0) && (Log() << Verbose(0) << ", " << i << ": " << *runner->second.second);
    333333        else
    334           Log() << Verbose(0) << i << ": " << *runner->second.second;
     334          DoLog(0) && (Log() << Verbose(0) << i << ": " << *runner->second.second);
    335335        i++;
    336336      }
    337       Log() << Verbose(0) << endl;
     337      DoLog(0) && (Log() << Verbose(0) << endl);
    338338    }
    339339
    … …  
    344344          DoeLog(2) && (eLog()<< Verbose(2) << "Point " << *(runner->second.second) << " is already present!" << endl);
    345345
    346   Log() << Verbose(0) << "I found " << TesselStruct->PointsOnBoundaryCount << " points on the convex boundary." << endl;
     346  DoLog(0) && (Log() << Verbose(0) << "I found " << TesselStruct->PointsOnBoundaryCount << " points on the convex boundary." << endl);
    347347  // now we have the whole set of edge points in the BoundaryList
    348348
    … …  
    364364    DoeLog(1) && (eLog()<< Verbose(1) << "Insertion of straddling points failed!" << endl);
    365365
    366   Log() << Verbose(0) << "I created " << TesselStruct->TrianglesOnBoundary.size() << " intermediate triangles with " << TesselStruct->LinesOnBoundary.size() << " lines and " << TesselStruct->PointsOnBoundary.size() << " points." << endl;
     366  DoLog(0) && (Log() << Verbose(0) << "I created " << TesselStruct->TrianglesOnBoundary.size() << " intermediate triangles with " << TesselStruct->LinesOnBoundary.size() << " lines and " << TesselStruct->PointsOnBoundary.size() << " points." << endl);
    367367
    368368  // 4. Store triangles in tecplot file
    … …  
    395395    for (LineMap::iterator LineRunner = TesselStruct->LinesOnBoundary.begin(); LineRunner != TesselStruct->LinesOnBoundary.end(); LineRunner++) {
    396396      line = LineRunner->second;
    397       Log() << Verbose(1) << "INFO: Current line is " << *line << "." << endl;
     397      DoLog(1) && (Log() << Verbose(1) << "INFO: Current line is " << *line << "." << endl);
    398398      if (!line->CheckConvexityCriterion()) {
    399         Log() << Verbose(1) << "... line " << *line << " is concave, flipping it." << endl;
     399        DoLog(1) && (Log() << Verbose(1) << "... line " << *line << " is concave, flipping it." << endl);
    400400
    401401        // flip the line
    … …  
    404404        else {
    405405          TesselStruct->FlipBaseline(line);
    406           Log() << Verbose(1) << "INFO: Correction of concave baselines worked." << endl;
     406          DoLog(1) && (Log() << Verbose(1) << "INFO: Correction of concave baselines worked." << endl);
    407407        }
    408408      }
    … …  
    414414//    Log() << Verbose(1) << "Correction of concave tesselpoints failed!" << endl;
    415415
    416   Log() << Verbose(0) << "I created " << TesselStruct->TrianglesOnBoundary.size() << " triangles with " << TesselStruct->LinesOnBoundary.size() << " lines and " << TesselStruct->PointsOnBoundary.size() << " points." << endl;
     416  DoLog(0) && (Log() << Verbose(0) << "I created " << TesselStruct->TrianglesOnBoundary.size() << " triangles with " << TesselStruct->LinesOnBoundary.size() << " lines and " << TesselStruct->PointsOnBoundary.size() << " points." << endl);
    417417
    418418  // 4. Store triangles in tecplot file
    … …  
    462462  PointMap::iterator PointRunner;
    463463  while (!TesselStruct->PointsOnBoundary.empty()) {
    464     Log() << Verbose(1) << "Remaining points are: ";
     464    DoLog(1) && (Log() << Verbose(1) << "Remaining points are: ");
    465465    for (PointMap::iterator PointSprinter = TesselStruct->PointsOnBoundary.begin(); PointSprinter != TesselStruct->PointsOnBoundary.end(); PointSprinter++)
    466       Log() << Verbose(0) << *(PointSprinter->second) << "\t";
    467     Log() << Verbose(0) << endl;
     466      DoLog(0) && (Log() << Verbose(0) << *(PointSprinter->second) << "\t");
     467    DoLog(0) && (Log() << Verbose(0) << endl);
    468468
    469469    PointRunner = TesselStruct->PointsOnBoundary.begin();
    … …  
    537537      PointAdvance++;
    538538      point = PointRunner->second;
    539       Log() << Verbose(1) << "INFO: Current point is " << *point << "." << endl;
     539      DoLog(1) && (Log() << Verbose(1) << "INFO: Current point is " << *point << "." << endl);
    540540      for (LineMap::iterator LineRunner = point->lines.begin(); LineRunner != point->lines.end(); LineRunner++) {
    541541        line = LineRunner->second;
    542         Log() << Verbose(1) << "INFO: Current line of point " << *point << " is " << *line << "." << endl;
     542        DoLog(1) && (Log() << Verbose(1) << "INFO: Current line of point " << *point << " is " << *line << "." << endl);
    543543        if (!line->CheckConvexityCriterion()) {
    544544          // remove the point if needed
    545           Log() << Verbose(1) << "... point " << *point << " cannot be on convex envelope." << endl;
     545          DoLog(1) && (Log() << Verbose(1) << "... point " << *point << " cannot be on convex envelope." << endl);
    546546          volume += TesselStruct->RemovePointFromTesselatedSurface(point);
    547547          sprintf(dummy, "-first-%d", ++run);
    … …  
    564564      LineAdvance++;
    565565      line = LineRunner->second;
    566       Log() << Verbose(1) << "INFO: Picking farthest baseline for line is " << *line << "." << endl;
     566      DoLog(1) && (Log() << Verbose(1) << "INFO: Picking farthest baseline for line is " << *line << "." << endl);
    567567      // take highest of both lines
    568568      if (TesselStruct->IsConvexRectangle(line) == NULL) {
    … …  
    605605
    606606  // end
    607   Log() << Verbose(0) << "Volume is " << volume << "." << endl;
     607  DoLog(0) && (Log() << Verbose(0) << "Volume is " << volume << "." << endl);
    608608  return volume;
    609609};
    … …  
    734734      totalmass += Walker->type->mass;
    735735  }
    736   Log() << Verbose(0) << "RESULT: The summed mass is " << setprecision(10) << totalmass << " atomicmassunit." << endl;
    737   Log() << Verbose(0) << "RESULT: The average density is " << setprecision(10) << totalmass / clustervolume << " atomicmassunit/" << (IsAngstroem ? "angstrom" : "atomiclength") << "^3." << endl;
     736  DoLog(0) && (Log() << Verbose(0) << "RESULT: The summed mass is " << setprecision(10) << totalmass << " atomicmassunit." << endl);
     737  DoLog(0) && (Log() << Verbose(0) << "RESULT: The average density is " << setprecision(10) << totalmass / clustervolume << " atomicmassunit/" << (IsAngstroem ? "angstrom" : "atomiclength") << "^3." << endl);
    738738
    739739  // solve cubic polynomial
    740   Log() << Verbose(1) << "Solving equidistant suspension in water problem ..." << endl;
     740  DoLog(1) && (Log() << Verbose(1) << "Solving equidistant suspension in water problem ..." << endl);
    741741  if (IsAngstroem)
    742742    cellvolume = (TotalNoClusters * totalmass / SOLVENTDENSITY_A - (totalmass / clustervolume)) / (celldensity - 1);
    743743  else
    744744    cellvolume = (TotalNoClusters * totalmass / SOLVENTDENSITY_a0 - (totalmass / clustervolume)) / (celldensity - 1);
    745   Log() << Verbose(1) << "Cellvolume needed for a density of " << celldensity << " g/cm^3 is " << cellvolume << " " << (IsAngstroem ? "angstrom" : "atomiclength") << "^3." << endl;
     745  DoLog(1) && (Log() << Verbose(1) << "Cellvolume needed for a density of " << celldensity << " g/cm^3 is " << cellvolume << " " << (IsAngstroem ? "angstrom" : "atomiclength") << "^3." << endl);
    746746
    747747  double minimumvolume = TotalNoClusters * (GreatestDiameter[0] * GreatestDiameter[1] * GreatestDiameter[2]);
    748   Log() << Verbose(1) << "Minimum volume of the convex envelope contained in a rectangular box is " << minimumvolume << " atomicmassunit/" << (IsAngstroem ? "angstrom" : "atomiclength") << "^3." << endl;
     748  DoLog(1) && (Log() << Verbose(1) << "Minimum volume of the convex envelope contained in a rectangular box is " << minimumvolume << " atomicmassunit/" << (IsAngstroem ? "angstrom" : "atomiclength") << "^3." << endl);
    749749  if (minimumvolume > cellvolume) {
    750750    DoeLog(1) && (eLog()<< Verbose(1) << "the containing box already has a greater volume than the envisaged cell volume!" << endl);
    751     Log() << Verbose(0) << "Setting Box dimensions to minimum possible, the greatest diameters." << endl;
     751    DoLog(0) && (Log() << Verbose(0) << "Setting Box dimensions to minimum possible, the greatest diameters." << endl);
    752752    for (int i = 0; i < NDIM; i++)
    753753      BoxLengths.x[i] = GreatestDiameter[i];
    … …  
    761761    double x2 = 0.;
    762762    if (gsl_poly_solve_cubic(BoxLengths.x[0], BoxLengths.x[1], BoxLengths.x[2], &x0, &x1, &x2) == 1) // either 1 or 3 on return
    763       Log() << Verbose(0) << "RESULT: The resulting spacing is: " << x0 << " ." << endl;
     763      DoLog(0) && (Log() << Verbose(0) << "RESULT: The resulting spacing is: " << x0 << " ." << endl);
    764764    else {
    765       Log() << Verbose(0) << "RESULT: The resulting spacings are: " << x0 << " and " << x1 << " and " << x2 << " ." << endl;
     765      DoLog(0) && (Log() << Verbose(0) << "RESULT: The resulting spacings are: " << x0 << " and " << x1 << " and " << x2 << " ." << endl);
    766766      x0 = x2; // sorted in ascending order
    767767    }
    … …  
    774774
    775775    // set new box dimensions
    776     Log() << Verbose(0) << "Translating to box with these boundaries." << endl;
     776    DoLog(0) && (Log() << Verbose(0) << "Translating to box with these boundaries." << endl);
    777777    mol->SetBoxDimension(&BoxLengths);
    778778    mol->CenterInBox();
    … …  
    780780  // update Box of atoms by boundary
    781781  mol->SetBoxDimension(&BoxLengths);
    782   Log() << Verbose(0) << "RESULT: The resulting cell dimensions are: " << BoxLengths.x[0] << " and " << BoxLengths.x[1] << " and " << BoxLengths.x[2] << " with total volume of " << cellvolume << " " << (IsAngstroem ? "angstrom" : "atomiclength") << "^3." << endl;
     782  DoLog(0) && (Log() << Verbose(0) << "RESULT: The resulting cell dimensions are: " << BoxLengths.x[0] << " and " << BoxLengths.x[1] << " and " << BoxLengths.x[2] << " with total volume of " << cellvolume << " " << (IsAngstroem ? "angstrom" : "atomiclength") << "^3." << endl);
    783783};
    784784
    … …  
    822822  for (MoleculeList::iterator ListRunner = List->ListOfMolecules.begin(); ListRunner != List->ListOfMolecules.end(); ListRunner++)
    823823    if ((*ListRunner)->AtomCount > 0) {
    824       Log() << Verbose(1) << "Pre-creating linked cell lists for molecule " << *ListRunner << "." << endl;
     824      DoLog(1) && (Log() << Verbose(1) << "Pre-creating linked cell lists for molecule " << *ListRunner << "." << endl);
    825825      LCList[(*ListRunner)] = new LinkedCell((*ListRunner), 10.); // get linked cell list
    826       Log() << Verbose(1) << "Pre-creating tesselation for molecule " << *ListRunner << "." << endl;
     826      DoLog(1) && (Log() << Verbose(1) << "Pre-creating tesselation for molecule " << *ListRunner << "." << endl);
    827827      TesselStruct[(*ListRunner)] = NULL;
    828828      FindNonConvexBorder((*ListRunner), TesselStruct[(*ListRunner)], (const LinkedCell *&)LCList[(*ListRunner)], 5., NULL);
    … …  
    832832  filler->CenterEdge(&Inserter);
    833833  filler->Center.Zero();
    834   Log() << Verbose(2) << "INFO: Filler molecule has the following bonds:" << endl;
     834  DoLog(2) && (Log() << Verbose(2) << "INFO: Filler molecule has the following bonds:" << endl);
    835835  Binder = filler->first;
    836836  while(Binder->next != filler->last) {
    837837    Binder = Binder->next;
    838     Log() << Verbose(2) << "  " << *Binder << endl;
     838    DoLog(2) && (Log() << Verbose(2) << "  " << *Binder << endl);
    839839  }
    840840
    … …  
    847847  for(int i=0;i<NDIM;i++)
    848848    N[i] = (int) ceil(1./FillerDistance.x[i]);
    849   Log() << Verbose(1) << "INFO: Grid steps are " << N[0] << ", " << N[1] << ", " << N[2] << "." << endl;
     849  DoLog(1) && (Log() << Verbose(1) << "INFO: Grid steps are " << N[0] << ", " << N[1] << ", " << N[2] << "." << endl);
    850850
    851851  // initialize seed of random number generator to current time
    … …  
    862862        for (int i=0;i<NDIM;i++)
    863863          FillerTranslations.x[i] = RandomMolDisplacement*(rand()/(RAND_MAX/2.) - 1.);
    864         Log() << Verbose(2) << "INFO: Current Position is " << CurrentPosition << "+" << FillerTranslations << "." << endl;
     864        DoLog(2) && (Log() << Verbose(2) << "INFO: Current Position is " << CurrentPosition << "+" << FillerTranslations << "." << endl);
    865865
    866866        // go through all atoms
    … …  
    917917          // insert into Filling
    918918          if (FillIt) {
    919             Log() << Verbose(1) << "INFO: Position at " << Inserter << " is outer point." << endl;
     919            DoLog(1) && (Log() << Verbose(1) << "INFO: Position at " << Inserter << " is outer point." << endl);
    920920            // copy atom ...
    921921            CopyAtoms[Walker->nr] = new atom(Walker);
    922922            CopyAtoms[Walker->nr]->x.CopyVector(&Inserter);
    923923            Filling->AddAtom(CopyAtoms[Walker->nr]);
    924             Log() << Verbose(4) << "Filling atom " << *Walker << ", translated to " << AtomTranslations << ", at final position is " << (CopyAtoms[Walker->nr]->x) << "." << endl;
     924            DoLog(4) && (Log() << Verbose(4) << "Filling atom " << *Walker << ", translated to " << AtomTranslations << ", at final position is " << (CopyAtoms[Walker->nr]->x) << "." << endl);
    925925          } else {
    926             Log() << Verbose(1) << "INFO: Position at " << Inserter << " is inner point, within boundary or outside of MaxDistance." << endl;
     926            DoLog(1) && (Log() << Verbose(1) << "INFO: Position at " << Inserter << " is inner point, within boundary or outside of MaxDistance." << endl);
    927927            CopyAtoms[Walker->nr] = NULL;
    928928            continue;
    … …  
    965965
    966966  if (TesselStruct == NULL) {
    967     Log() << Verbose(1) << "Allocating Tesselation struct ..." << endl;
     967    DoLog(1) && (Log() << Verbose(1) << "Allocating Tesselation struct ..." << endl);
    968968    TesselStruct= new Tesselation;
    969969  } else {
    970970    delete(TesselStruct);
    971     Log() << Verbose(1) << "Re-Allocating Tesselation struct ..." << endl;
     971    DoLog(1) && (Log() << Verbose(1) << "Re-Allocating Tesselation struct ..." << endl);
    972972    TesselStruct = new Tesselation;
    973973  }
    … …  
    990990  while ((!TesselStruct->OpenLines.empty()) && (OneLoopWithoutSuccessFlag)) {
    991991    // 2a. print OpenLines
    992     Log() << Verbose(1) << "There are " << TesselStruct->OpenLines.size() << " open lines to scan for candidates:" << endl;
     992    DoLog(1) && (Log() << Verbose(1) << "There are " << TesselStruct->OpenLines.size() << " open lines to scan for candidates:" << endl);
    993993    for (CandidateMap::iterator Runner = TesselStruct->OpenLines.begin(); Runner != TesselStruct->OpenLines.end(); Runner++)
    994       Log() << Verbose(1) << " " << *(Runner->second) << endl;
     994      DoLog(1) && (Log() << Verbose(1) << " " << *(Runner->second) << endl);
    995995
    996996    // 2b. find best candidate for each OpenLine
    … …  
    998998
    999999    // 2c. print OpenLines with candidates again
    1000     Log() << Verbose(1) << "There are " << TesselStruct->OpenLines.size() << " open lines to scan for the best candidates:" << endl;
     1000    DoLog(1) && (Log() << Verbose(1) << "There are " << TesselStruct->OpenLines.size() << " open lines to scan for the best candidates:" << endl);
    10011001    for (CandidateMap::iterator Runner = TesselStruct->OpenLines.begin(); Runner != TesselStruct->OpenLines.end(); Runner++)
    1002       Log() << Verbose(1) << " " << *(Runner->second) << endl;
     1002      DoLog(1) && (Log() << Verbose(1) << " " << *(Runner->second) << endl);
    10031003
    10041004    // 2d. search for smallest ShortestAngle among all candidates
    … …  
    10081008        baseline = Runner->second;
    10091009        ShortestAngle = baseline->ShortestAngle;
    1010         Log() << Verbose(1) << "New best candidate is " << *baseline->BaseLine << " with point " << *(*baseline->pointlist.begin()) << " and angle " << baseline->ShortestAngle << endl;
     1010        DoLog(1) && (Log() << Verbose(1) << "New best candidate is " << *baseline->BaseLine << " with point " << *(*baseline->pointlist.begin()) << " and angle " << baseline->ShortestAngle << endl);
    10111011      }
    10121012    }
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