Changes in src/molecule.cpp [a67d19:68f03d]

File:

• src/molecule.cpp (modified) (38 diffs)

src/molecule.cpp

@@ -6 +6 @@
 
 #include <cstring>
-
+#include <boost/bind.hpp>
+
+#include "World.hpp"
 #include "atom.hpp"
 #include "bond.hpp"
@@ -24 +26 @@
 #include "vector.hpp"
 #include "World.hpp"
+#include "Plane.hpp"
+#include "Exceptions/LinearDependenceException.hpp"
+
 
 /************************************* Functions for class molecule *********************************/
@@ -30 +35 @@
  * Initialises molecule list with correctly referenced start and end, and sets molecule::last_atom to zero.
  */
-molecule::molecule(const periodentafel * const teil) : elemente(teil), start(new atom), end(new atom), 
+molecule::molecule(const periodentafel * const teil) : elemente(teil), start(World::getInstance().createAtom()), end(World::getInstance().createAtom()),
   first(new bond(start, end, 1, -1)), last(new bond(start, end, 1, -1)), MDSteps(0), AtomCount(0), 
   BondCount(0), ElementCount(0), NoNonHydrogen(0), NoNonBonds(0), NoCyclicBonds(0), BondDistance(0.), 
-  ActiveFlag(false), IndexNr(-1), last_atom(0), InternalPointer(start)
+  ActiveFlag(false), IndexNr(-1),
+  formula(this,boost::bind(&molecule::calcFormula,this)),
+  last_atom(0),
+  InternalPointer(start)
 {
   // init atom chain list
@@ -46 +54 @@
   for(int i=MAX_ELEMENTS;i--;)
     ElementsInMolecule[i] = 0;
-  strcpy(name,World::get()->DefaultName);
-};
+  strcpy(name,World::getInstance().getDefaultName());
+};
+
+molecule *NewMolecule(){
+  return new molecule(World::getInstance().getPeriode());
+}
 
 /** Destructor of class molecule.
@@ -57 +69 @@
   delete(first);
   delete(last);
-  delete(end);
-  delete(start);
-};
+  end->getWorld()->destroyAtom(end);
+  start->getWorld()->destroyAtom(start);
+};
+
+
+void DeleteMolecule(molecule *mol){
+  delete mol;
+}
+
+// getter and setter
+const std::string molecule::getName(){
+  return std::string(name);
+}
+
+void molecule::setName(const std::string _name){
+  OBSERVE;
+  strncpy(name,_name.c_str(),MAXSTRINGSIZE);
+}
+
+moleculeId_t molecule::getId(){
+  return id;
+}
+
+void molecule::setId(moleculeId_t _id){
+  id =_id;
+}
+
+const std::string molecule::getFormula(){
+  return *formula;
+}
+
+std::string molecule::calcFormula(){
+  std::map<atomicNumber_t,unsigned int> counts;
+  stringstream sstr;
+  periodentafel *periode = World::getInstance().getPeriode();
+  for(atom *Walker = start; Walker != end; Walker = Walker->next) {
+    counts[Walker->type->getNumber()]++;
+  }
+  std::map<atomicNumber_t,unsigned int>::reverse_iterator iter;
+  for(iter = counts.rbegin(); iter != counts.rend(); ++iter) {
+    atomicNumber_t Z = (*iter).first;
+    sstr << periode->FindElement(Z)->symbol << (*iter).second;
+  }
+  return sstr.str();
+}
 
 
@@ -69 +123 @@
 bool molecule::AddAtom(atom *pointer)
 {
+  bool retval = false;
+  OBSERVE;
   if (pointer != NULL) {
     pointer->sort = &pointer->nr;
@@ -79 +135 @@
       if (pointer->type->Z != 1)
         NoNonHydrogen++;
-      if (pointer->Name == NULL) {
-        Free(&pointer->Name);
-        pointer->Name = Malloc<char>(6, "molecule::AddAtom: *pointer->Name");
-        sprintf(pointer->Name, "%2s%02d", pointer->type->symbol, pointer->nr+1);
-      }
-    }
-    return add(pointer, end);
-  } else
-    return false;
+      if(pointer->getName() == "Unknown"){
+        stringstream sstr;
+        sstr << pointer->type->symbol << pointer->nr+1;
+        pointer->setName(sstr.str());
+      }
+    }
+    retval = add(pointer, end);
+  }
+  return retval;
 };
 
@@ -97 +153 @@
 atom * molecule::AddCopyAtom(atom *pointer)
 {
+  atom *retval = NULL;
+  OBSERVE;
   if (pointer != NULL) {
-    atom *walker = new atom(pointer);
-    walker->Name = Malloc<char>(strlen(pointer->Name) + 1, "atom::atom: *Name");
-    strcpy (walker->Name, pointer->Name);
+    atom *walker = pointer->clone();
+    stringstream sstr;
+    sstr << pointer->getName();
+    walker->setName(sstr.str());
     walker->nr = last_atom++;  // increase number within molecule
     add(walker, end);
@@ -106 +165 @@
       NoNonHydrogen++;
     AtomCount++;
-    return walker;
-  } else
-    return NULL;
+    retval=walker;
+  }
+  return retval;
 };
 
@@ -147 +206 @@
 bool molecule::AddHydrogenReplacementAtom(bond *TopBond, atom *BottomOrigin, atom *TopOrigin, atom *TopReplacement, bool IsAngstroem)
 {
+  bool AllWentWell = true;    // flag gathering the boolean return value of molecule::AddAtom and other functions, as return value on exit
+  OBSERVE;
   double bondlength;  // bond length of the bond to be replaced/cut
   double bondangle;  // bond angle of the bond to be replaced/cut
   double BondRescale;   // rescale value for the hydrogen bond length
-  bool AllWentWell = true;    // flag gathering the boolean return value of molecule::AddAtom and other functions, as return value on exit
   bond *FirstBond = NULL, *SecondBond = NULL; // Other bonds in double bond case to determine "other" plane
   atom *FirstOtherAtom = NULL, *SecondOtherAtom = NULL, *ThirdOtherAtom = NULL; // pointer to hydrogen atoms to be added
@@ -158 +218 @@
   double *matrix = NULL;
   bond *Binder = NULL;
-  double * const cell_size = World::get()->cell_size;
+  double * const cell_size = World::getInstance().getDomain();
 
 //  Log() << Verbose(3) << "Begin of AddHydrogenReplacementAtom." << endl;
   // create vector in direction of bond
-  InBondvector.CopyVector(&TopReplacement->x);
-  InBondvector.SubtractVector(&TopOrigin->x);
+  InBondvector = TopReplacement->x - TopOrigin->x;
   bondlength = InBondvector.Norm();
 
@@ -175 +234 @@
     Orthovector1.Zero();
     for (int i=NDIM;i--;) {
-      l = TopReplacement->x.x[i] - TopOrigin->x.x[i];
+      l = TopReplacement->x[i] - TopOrigin->x[i];
       if (fabs(l) > BondDistance) { // is component greater than bond distance
-        Orthovector1.x[i] = (l < 0) ? -1. : +1.;
+        Orthovector1[i] = (l < 0) ? -1. : +1.;
       } // (signs are correct, was tested!)
     }
     matrix = ReturnFullMatrixforSymmetric(cell_size);
     Orthovector1.MatrixMultiplication(matrix);
-    InBondvector.SubtractVector(&Orthovector1); // subtract just the additional translation
+    InBondvector -= Orthovector1; // subtract just the additional translation
     Free(&matrix);
     bondlength = InBondvector.Norm();
@@ -194 +253 @@
   BondRescale = TopOrigin->type->HBondDistance[TopBond->BondDegree-1];
   if (BondRescale == -1) {
-    DoeLog(1) && (eLog()<< Verbose(1) << "There is no typical hydrogen bond distance in replacing bond (" << TopOrigin->Name << "<->" << TopReplacement->Name << ") of degree " << TopBond->BondDegree << "!" << endl);
+    DoeLog(1) && (eLog()<< Verbose(1) << "There is no typical hydrogen bond distance in replacing bond (" << TopOrigin->getName() << "<->" << TopReplacement->getName() << ") of degree " << TopBond->BondDegree << "!" << endl);
     return false;
     BondRescale = bondlength;
@@ -205 +264 @@
   switch(TopBond->BondDegree) {
     case 1:
-      FirstOtherAtom = new atom();    // new atom
+      FirstOtherAtom = World::getInstance().createAtom();    // new atom
       FirstOtherAtom->type = elemente->FindElement(1);  // element is Hydrogen
-      FirstOtherAtom->v.CopyVector(&TopReplacement->v); // copy velocity
+      FirstOtherAtom->v = TopReplacement->v; // copy velocity
       FirstOtherAtom->FixedIon = TopReplacement->FixedIon;
       if (TopReplacement->type->Z == 1) { // neither rescale nor replace if it's already hydrogen
@@ -215 +274 @@
         FirstOtherAtom->father = NULL;  // if we replace hydrogen, we mark it as our father, otherwise we are just an added hydrogen with no father
       }
-      InBondvector.Scale(&BondRescale);   // rescale the distance vector to Hydrogen bond length
-      FirstOtherAtom->x.CopyVector(&TopOrigin->x); // set coordination to origin ...
-      FirstOtherAtom->x.AddVector(&InBondvector);  // ... and add distance vector to replacement atom
+      InBondvector *= BondRescale;   // rescale the distance vector to Hydrogen bond length
+      FirstOtherAtom->x = TopOrigin->x; // set coordination to origin ...
+      FirstOtherAtom->x = InBondvector;  // ... and add distance vector to replacement atom
       AllWentWell = AllWentWell && AddAtom(FirstOtherAtom);
 //      Log() << Verbose(4) << "Added " << *FirstOtherAtom << " at: ";
@@ -237 +296 @@
             SecondOtherAtom = (*Runner)->GetOtherAtom(TopOrigin);
           } else {
-            DoeLog(2) && (eLog()<< Verbose(2) << "Detected more than four bonds for atom " << TopOrigin->Name);
+            DoeLog(2) && (eLog()<< Verbose(2) << "Detected more than four bonds for atom " << TopOrigin->getName());
           }
         }
@@ -249 +308 @@
 
         // determine the plane of these two with the *origin
-        AllWentWell = AllWentWell && Orthovector1.MakeNormalVector(&TopOrigin->x, &FirstOtherAtom->x, &SecondOtherAtom->x);
+        try {
+          Orthovector1 =Plane(TopOrigin->x, FirstOtherAtom->x, SecondOtherAtom->x).getNormal();
+        }
+        catch(LinearDependenceException &excp){
+          Log() << Verbose(0) << excp;
+          // TODO: figure out what to do with the Orthovector in this case
+          AllWentWell = false;
+        }
       } else {
-        Orthovector1.GetOneNormalVector(&InBondvector);
+        Orthovector1.GetOneNormalVector(InBondvector);
       }
       //Log() << Verbose(3)<< "Orthovector1: ";
@@ -257 +323 @@
       //Log() << Verbose(0) << endl;
       // orthogonal vector and bond vector between origin and replacement form the new plane
-      Orthovector1.MakeNormalVector(&InBondvector);
+      Orthovector1.MakeNormalTo(InBondvector);
       Orthovector1.Normalize();
       //Log() << Verbose(3) << "ReScaleCheck: " << Orthovector1.Norm() << " and " << InBondvector.Norm() << "." << endl;
 
       // create the two Hydrogens ...
-      FirstOtherAtom = new atom();
-      SecondOtherAtom = new atom();
+      FirstOtherAtom = World::getInstance().createAtom();
+      SecondOtherAtom = World::getInstance().createAtom();
       FirstOtherAtom->type = elemente->FindElement(1);
       SecondOtherAtom->type = elemente->FindElement(1);
-      FirstOtherAtom->v.CopyVector(&TopReplacement->v); // copy velocity
+      FirstOtherAtom->v = TopReplacement->v; // copy velocity
       FirstOtherAtom->FixedIon = TopReplacement->FixedIon;
-      SecondOtherAtom->v.CopyVector(&TopReplacement->v); // copy velocity
+      SecondOtherAtom->v = TopReplacement->v; // copy velocity
       SecondOtherAtom->FixedIon = TopReplacement->FixedIon;
       FirstOtherAtom->father = NULL;  // we are just an added hydrogen with no father
@@ -274 +340 @@
       bondangle = TopOrigin->type->HBondAngle[1];
       if (bondangle == -1) {
-        DoeLog(1) && (eLog()<< Verbose(1) << "There is no typical hydrogen bond angle in replacing bond (" << TopOrigin->Name << "<->" << TopReplacement->Name << ") of degree " << TopBond->BondDegree << "!" << endl);
+        DoeLog(1) && (eLog()<< Verbose(1) << "There is no typical hydrogen bond angle in replacing bond (" << TopOrigin->getName() << "<->" << TopReplacement->getName() << ") of degree " << TopBond->BondDegree << "!" << endl);
         return false;
         bondangle = 0;
@@ -289 +355 @@
       SecondOtherAtom->x.Zero();
       for(int i=NDIM;i--;) { // rotate by half the bond angle in both directions (InBondvector is bondangle = 0 direction)
-        FirstOtherAtom->x.x[i] = InBondvector.x[i] * cos(bondangle) + Orthovector1.x[i] * (sin(bondangle));
-        SecondOtherAtom->x.x[i] = InBondvector.x[i] * cos(bondangle) + Orthovector1.x[i] * (-sin(bondangle));
-      }
-      FirstOtherAtom->x.Scale(&BondRescale);  // rescale by correct BondDistance
-      SecondOtherAtom->x.Scale(&BondRescale);
+        FirstOtherAtom->x[i] = InBondvector[i] * cos(bondangle) + Orthovector1[i] * (sin(bondangle));
+        SecondOtherAtom->x[i] = InBondvector[i] * cos(bondangle) + Orthovector1[i] * (-sin(bondangle));
+      }
+      FirstOtherAtom->x *= BondRescale;  // rescale by correct BondDistance
+      SecondOtherAtom->x *= BondRescale;
       //Log() << Verbose(3) << "ReScaleCheck: " << FirstOtherAtom->x.Norm() << " and " << SecondOtherAtom->x.Norm() << "." << endl;
       for(int i=NDIM;i--;) { // and make relative to origin atom
-        FirstOtherAtom->x.x[i] += TopOrigin->x.x[i];
-        SecondOtherAtom->x.x[i] += TopOrigin->x.x[i];
+        FirstOtherAtom->x[i] += TopOrigin->x[i];
+        SecondOtherAtom->x[i] += TopOrigin->x[i];
       }
       // ... and add to molecule
@@ -317 +383 @@
     case 3:
       // take the "usual" tetraoidal angle and add the three Hydrogen in direction of the bond (height of the tetraoid)
-      FirstOtherAtom = new atom();
-      SecondOtherAtom = new atom();
-      ThirdOtherAtom = new atom();
+      FirstOtherAtom = World::getInstance().createAtom();
+      SecondOtherAtom = World::getInstance().createAtom();
+      ThirdOtherAtom = World::getInstance().createAtom();
       FirstOtherAtom->type = elemente->FindElement(1);
       SecondOtherAtom->type = elemente->FindElement(1);
       ThirdOtherAtom->type = elemente->FindElement(1);
-      FirstOtherAtom->v.CopyVector(&TopReplacement->v); // copy velocity
+      FirstOtherAtom->v = TopReplacement->v; // copy velocity
       FirstOtherAtom->FixedIon = TopReplacement->FixedIon;
-      SecondOtherAtom->v.CopyVector(&TopReplacement->v); // copy velocity
+      SecondOtherAtom->v = TopReplacement->v; // copy velocity
       SecondOtherAtom->FixedIon = TopReplacement->FixedIon;
-      ThirdOtherAtom->v.CopyVector(&TopReplacement->v); // copy velocity
+      ThirdOtherAtom->v = TopReplacement->v; // copy velocity
       ThirdOtherAtom->FixedIon = TopReplacement->FixedIon;
       FirstOtherAtom->father = NULL;  //  we are just an added hydrogen with no father
@@ -334 +400 @@
 
       // we need to vectors orthonormal the InBondvector
-      AllWentWell = AllWentWell && Orthovector1.GetOneNormalVector(&InBondvector);
+      AllWentWell = AllWentWell && Orthovector1.GetOneNormalVector(InBondvector);
 //      Log() << Verbose(3) << "Orthovector1: ";
 //      Orthovector1.Output(out);
 //      Log() << Verbose(0) << endl;
-      AllWentWell = AllWentWell && Orthovector2.MakeNormalVector(&InBondvector, &Orthovector1);
+      try{
+        Orthovector2 = Plane(InBondvector, Orthovector1,0).getNormal();
+      }
+      catch(LinearDependenceException &excp) {
+        Log() << Verbose(0) << excp;
+        AllWentWell = false;
+      }
 //      Log() << Verbose(3) << "Orthovector2: ";
 //      Orthovector2.Output(out);
@@ -355 +427 @@
       factors[1] = f;
       factors[2] = 0.;
-      FirstOtherAtom->x.LinearCombinationOfVectors(&InBondvector, &Orthovector1, &Orthovector2, factors);
+      FirstOtherAtom->x.LinearCombinationOfVectors(InBondvector, Orthovector1, Orthovector2, factors);
       factors[1] = -0.5*f;
       factors[2] = g;
-      SecondOtherAtom->x.LinearCombinationOfVectors(&InBondvector, &Orthovector1, &Orthovector2, factors);
+      SecondOtherAtom->x.LinearCombinationOfVectors(InBondvector, Orthovector1, Orthovector2, factors);
       factors[2] = -g;
-      ThirdOtherAtom->x.LinearCombinationOfVectors(&InBondvector, &Orthovector1, &Orthovector2, factors);
+      ThirdOtherAtom->x.LinearCombinationOfVectors(InBondvector, Orthovector1, Orthovector2, factors);
 
       // rescale each to correct BondDistance
@@ -368 +440 @@
 
       // and relative to *origin atom
-      FirstOtherAtom->x.AddVector(&TopOrigin->x);
-      SecondOtherAtom->x.AddVector(&TopOrigin->x);
-      ThirdOtherAtom->x.AddVector(&TopOrigin->x);
+      FirstOtherAtom->x += TopOrigin->x;
+      SecondOtherAtom->x += TopOrigin->x;
+      ThirdOtherAtom->x += TopOrigin->x;
 
       // ... and add to molecule
@@ -413 +485 @@
 bool molecule::AddXYZFile(string filename)
 {
+
   istringstream *input = NULL;
   int NumberOfAtoms = 0; // atom number in xyz read
@@ -426 +499 @@
     return false;
 
+  OBSERVE;
   getline(xyzfile,line,'\n'); // Read numer of atoms in file
   input = new istringstream(line);
@@ -436 +510 @@
     MDSteps++;
   for(i=0;i<NumberOfAtoms;i++){
-    Walker = new atom;
+    Walker = World::getInstance().createAtom();
     getline(xyzfile,line,'\n');
     istringstream *item = new istringstream(line);
@@ -456 +530 @@
     }
     for(j=NDIM;j--;) {
-      Walker->x.x[j] = x[j];
-      Walker->Trajectory.R.at(MDSteps-1).x[j] = x[j];
-      Walker->Trajectory.U.at(MDSteps-1).x[j] = 0;
-      Walker->Trajectory.F.at(MDSteps-1).x[j] = 0;
+      Walker->x[j] = x[j];
+      Walker->Trajectory.R.at(MDSteps-1)[j] = x[j];
+      Walker->Trajectory.U.at(MDSteps-1)[j] = 0;
+      Walker->Trajectory.F.at(MDSteps-1)[j] = 0;
     }
     AddAtom(Walker);  // add to molecule
@@ -474 +548 @@
 molecule *molecule::CopyMolecule()
 {
-  molecule *copy = new molecule(elemente);
+  molecule *copy = World::getInstance().createMolecule();
   atom *LeftAtom = NULL, *RightAtom = NULL;
 
@@ -517 +591 @@
  */
 molecule* molecule::CopyMoleculeFromSubRegion(const Vector offset, const double *parallelepiped) const {
-  molecule *copy = new molecule(elemente);
+  molecule *copy = World::getInstance().createMolecule();
 
   ActOnCopyWithEachAtomIfTrue ( &molecule::AddCopyAtom, copy, &atom::IsInParallelepiped, offset, parallelepiped );
@@ -543 +617 @@
     add(Binder, last);
   } else {
-    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);
+    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);
   }
   return Binder;
@@ -603 +677 @@
 void molecule::SetBoxDimension(Vector *dim)
 {
-  double * const cell_size = World::get()->cell_size;
-  cell_size[0] = dim->x[0];
+  double * const cell_size = World::getInstance().getDomain();
+  cell_size[0] = dim->at(0);
   cell_size[1] = 0.;
-  cell_size[2] = dim->x[1];
+  cell_size[2] = dim->at(1);
   cell_size[3] = 0.;
   cell_size[4] = 0.;
-  cell_size[5] = dim->x[2];
+  cell_size[5] = dim->at(2);
 };
 
@@ -622 +696 @@
     AtomCount--;
   } else
-    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);
+    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);
   if (ElementsInMolecule[pointer->type->Z] == 0)  // was last atom of this element?
     ElementCount--;
@@ -640 +714 @@
     ElementsInMolecule[pointer->type->Z]--; // decrease number of atom of this element
   else
-    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);
+    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);
   if (ElementsInMolecule[pointer->type->Z] == 0)  // was last atom of this element?
     ElementCount--;
@@ -694 +768 @@
 bool molecule::CheckBounds(const Vector *x) const
 {
-  double * const cell_size = World::get()->cell_size;
+  double * const cell_size = World::getInstance().getDomain();
   bool result = true;
   int j =-1;
   for (int i=0;i<NDIM;i++) {
     j += i+1;
-    result = result && ((x->x[i] >= 0) && (x->x[i] < cell_size[j]));
+    result = result && ((x->at(i) >= 0) && (x->at(i) < cell_size[j]));
   }
   //return result;
@@ -842 +916 @@
         if (Walker->type->Z != 1) // count non-hydrogen atoms whilst at it
           NoNonHydrogen++;
-        Free(&Walker->Name);
-        Walker->Name = Malloc<char>(6, "molecule::CountAtoms: *walker->Name");
-        sprintf(Walker->Name, "%2s%02d", Walker->type->symbol, Walker->nr+1);
-        DoLog(3) && (Log() << Verbose(3) << "Naming atom nr. " << Walker->nr << " " << Walker->Name << "." << endl);
+        stringstream sstr;
+        sstr << Walker->type->symbol << Walker->nr+1;
+        Walker->setName(sstr.str());
+        DoLog(3) && (Log() << Verbose(3) << "Naming atom nr. " << Walker->nr << " " << Walker->getName() << "." << endl);
         i++;
       }
@@ -949 +1023 @@
     DeterminePeriodicCenter(CenterOfGravity);
     OtherMolecule->DeterminePeriodicCenter(OtherCenterOfGravity);
-    DoLog(5) && (Log() << Verbose(5) << "Center of Gravity: ");
-    CenterOfGravity.Output();
-    DoLog(0) && (Log() << Verbose(0) << endl << Verbose(5) << "Other Center of Gravity: ");
-    OtherCenterOfGravity.Output();
-    DoLog(0) && (Log() << Verbose(0) << endl);
-    if (CenterOfGravity.DistanceSquared(&OtherCenterOfGravity) > threshold*threshold) {
+    DoLog(5) && (Log() << Verbose(5) << "Center of Gravity: " << CenterOfGravity << endl);
+    DoLog(5) && (Log() << Verbose(5) << "Other Center of Gravity: " << OtherCenterOfGravity << endl);
+    if (CenterOfGravity.DistanceSquared(OtherCenterOfGravity) > threshold*threshold) {
       DoLog(4) && (Log() << Verbose(4) << "Centers of gravity don't match." << endl);
       result = false;
@@ -1085 +1156 @@
   }
 };
+
+void molecule::flipActiveFlag(){
+  ActiveFlag = !ActiveFlag;
+}