void MicrotubuleProcess::addCompVoxel(unsigned int protoIndex,
unsigned int dimerIndex, Point& aPoint)
{
unsigned int aCoord(startCoord+protoIndex*theDimerSize+dimerIndex);
Voxel& aVoxel((*theLattice)[aCoord]);
aVoxel.point = &thePoints[protoIndex*theDimerSize+dimerIndex];
*aVoxel.point = aPoint;
aVoxel.adjoiningCoords = new unsigned int[theAdjoiningCoordSize];
aVoxel.diffuseSize = 2;
for(unsigned int i(0); i != theAdjoiningCoordSize; ++i)
{
aVoxel.adjoiningCoords[i] = theNullCoord;
}
if(!dimerIndex)
{
theMinusSpecies->addCompVoxel(aCoord);
}
else if(dimerIndex == theDimerSize-1)
{
thePlusSpecies->addCompVoxel(aCoord);
}
else
{
theVacantSpecies->addCompVoxel(aCoord);
}
}
void MicrotubuleProcess::connectEastWest(unsigned int i, unsigned int j)
{
unsigned int a(startCoord+j*theDimerSize+i);
Voxel& aVoxel((*theLattice)[a]);
unsigned int b(startCoord+(j-1)*theDimerSize+i);
Voxel& adjoin((*theLattice)[b]);
aVoxel.adjoiningCoords[aVoxel.adjoiningSize++] = b;
adjoin.adjoiningCoords[adjoin.adjoiningSize++] = a;
}
void MicrotubuleProcess::connectNwSw(unsigned int i)
{
unsigned int a(startCoord+i);
Voxel& aVoxel((*theLattice)[a]);
unsigned int b(startCoord+(Protofilaments-1)*theDimerSize+(i-1));
Voxel& adjoin((*theLattice)[b]);
aVoxel.adjoiningCoords[aVoxel.adjoiningSize++] = b;
adjoin.adjoiningCoords[adjoin.adjoiningSize++] = a;
}
void MicrotubuleProcess::connectNorthSouth(unsigned int i, unsigned int j)
{
unsigned int a(startCoord+j*theDimerSize+(i-1));
Voxel& aVoxel((*theLattice)[a]);
unsigned int b(startCoord+j*theDimerSize+i);
Voxel& adjoin((*theLattice)[b]);
aVoxel.adjoiningCoords[NORTH] = b;
adjoin.adjoiningCoords[SOUTH] = a;
aVoxel.adjoiningSize = 2;
adjoin.adjoiningSize = 2;
}
void MicrotubuleProcess::connectPeriodic(unsigned int j)
{
unsigned int a(startCoord+j*theDimerSize+theDimerSize-1);
Voxel& aVoxel((*theLattice)[a]);
unsigned int b(startCoord+j*theDimerSize);
Voxel& adjoin((*theLattice)[b]);
aVoxel.adjoiningCoords[NORTH] = b;
adjoin.adjoiningCoords[SOUTH] = a;
aVoxel.adjoiningSize = 2;
adjoin.adjoiningSize = 2;
}
void MicroscopyTrackingProcess::incSpeciesLatticeCount()
{
for(unsigned i(0); i != thePositiveSpecies.size(); ++i)
{
Species* aSpecies(thePositiveSpecies[i]);
aSpecies->updateMols();
unsigned aMolSize(aSpecies->size());
for(unsigned j(0); j != aMolSize; ++j)
{
unsigned aMol(aSpecies->getMol(j));
Voxel& aVoxel((*theLattice)[aMol]);
++theFreqLattice[theLatticeSpeciesIndices[i][0]][aMol];
for(unsigned k(1); k != theLatticeSpeciesIndices[i].size(); ++k)
{
++theFreqLattice[theLatticeSpeciesIndices[i][k]][
aVoxel.adjoins[k-1]];
}
}
}
}
double PolymerizationProcess::setImmediateTargetVoxel(Subunit* aRefSubunit,
unsigned int aBendIndex)
{
Voxel* aRefVoxel(aRefSubunit->voxel);
Point* aRefPoint(&aRefSubunit->targetPoints[aBendIndex]);
double anImmediateDist(LARGE_DISTANCE);
std::vector<unsigned int>& immedSurface((*aRefVoxel->surfaceCoords)[IMMED]);
//Check the immediate 6 (usually) surface voxels adjoining the voxel of the
//reference subunit:
for(unsigned int i(0); i!=immedSurface.size(); ++i)
{
Voxel* aVoxel(&(*theLattice)[immedSurface[i]]);
Subunit* aSubunit(aVoxel->subunit);
//If the voxel does not already occupy a protomer
//(A protomer has at least one contPoint -- its subunitPoint)
//and it is not a shared voxel:
if(aSubunit->contPoints.empty())
{
double aDist(getDistance(aRefPoint, &aSubunit->surfacePoint));
if(aDist < anImmediateDist)
{
anImmediateDist = aDist;
aRefSubunit->targetVoxels[aBendIndex] = aVoxel;
}
}
}
if(anImmediateDist < 0.7)
{
//We are definitely going to use the targetVoxel[aBendIndex] since
//anImmediateDist is less than the cut off, so add the calculated
//contPoint of the target protomer to its subunit:
addContPoint(aRefSubunit->targetVoxels[aBendIndex]->subunit, aRefPoint);
return 0;
}
//Note that at this point, aRefSubunit->targetVoxels[aBendIndex] is not set
//to NULL, unless anImmediateDist == LARGE_DISTANCE:
return anImmediateDist;
}
void MicrotubuleProcess::enlistLatticeVoxels()
{
for(unsigned int n(startCoord); n != endCoord; ++n)
{
Voxel& offVoxel((*theLattice)[n]);
offVoxel.diffuseSize = offVoxel.adjoiningSize;
double rA(theSpatiocyteStepper->getMinLatticeSpace());
if(rA < offLatticeRadius)
{
rA = offLatticeRadius;
}
Point center(*offVoxel.point);
unsigned int aCoord(theSpatiocyteStepper->point2coord(center));
Point cl(theSpatiocyteStepper->coord2point(aCoord));
//theSpecies[3]->addMolecule(aVoxel.coord);
Point bottomLeft(*offVoxel.point);
Point topRight(*offVoxel.point);
bottomLeft.x -= rA+center.x-cl.x+theSpatiocyteStepper->getColLength();
bottomLeft.y -= rA+center.y-cl.y+theSpatiocyteStepper->getLayerLength();
bottomLeft.z -= rA+center.z-cl.z+theSpatiocyteStepper->getRowLength();
topRight.x += rA+cl.x-center.x+theSpatiocyteStepper->getColLength()*1.5;
topRight.y += rA+cl.y-center.y+theSpatiocyteStepper->getLayerLength()*1.5;
topRight.z += rA+cl.z-center.z+theSpatiocyteStepper->getRowLength()*1.5;
unsigned int blRow(0);
unsigned int blLayer(0);
unsigned int blCol(0);
theSpatiocyteStepper->point2global(bottomLeft, blRow, blLayer, blCol);
unsigned int trRow(0);
unsigned int trLayer(0);
unsigned int trCol(0);
theSpatiocyteStepper->point2global(topRight, trRow, trLayer, trCol);
std::vector<unsigned int> checkedAdjoins;
for(unsigned int i(blRow); i < trRow; ++i)
{
for(unsigned int j(blLayer); j < trLayer; ++j)
{
for(unsigned int k(blCol); k < trCol; ++k)
{
unsigned int lat(theSpatiocyteStepper->global2coord(i, j, k));
Voxel& latVoxel((*theLattice)[lat]);
if(latVoxel.id != theSpatiocyteStepper->getNullID())
{
//theSpecies[3]->addMolecule(latVoxel);
Point aPoint(theSpatiocyteStepper->coord2point(lat));
if(inMTCylinder(aPoint))
{
for(unsigned int l(0); l != theAdjoiningCoordSize;
++l)
{
unsigned adj(latVoxel.adjoiningCoords[l]);
Voxel& adjoin((*theLattice)[adj]);
if(adjoin.id == theComp->vacantSpecies->getID())
{
checkedAdjoins.push_back(adj);
addDirect(offVoxel, n, adjoin, adj);
}
}
}
}
}
}
}
for(unsigned int i(0); i != checkedAdjoins.size(); ++i)
{
(*theLattice)[checkedAdjoins[i]].id = theComp->vacantSpecies->getID();
}
}
for(unsigned int i(0); i != occCoords.size(); ++i)
{
Voxel& aVoxel((*theLattice)[occCoords[i]]);
unsigned int* temp = aVoxel.initAdjoins;
aVoxel.initAdjoins = aVoxel.adjoiningCoords;
aVoxel.adjoiningCoords = temp;
aVoxel.diffuseSize = aVoxel.adjoiningSize;
}
for(unsigned int i(0); i != occCoords.size(); ++i)
{
Voxel& aVoxel((*theLattice)[occCoords[i]]);
for(unsigned int i(0); i != aVoxel.adjoiningSize; ++i)
{
unsigned int aCoord(aVoxel.adjoiningCoords[i]);
Voxel& adjoin((*theLattice)[aCoord]);
if(adjoin.id == theComp->vacantSpecies->getID())
{
Point adPoint(theSpatiocyteStepper->coord2point(aCoord));
if(inMTCylinder(adPoint))
{
std::cout << "error in MT Process" << std::endl;
}
}
else if(adjoin.id != theVacantSpecies->getID() &&
adjoin.id != theMinusSpecies->getID() &&
adjoin.id != thePlusSpecies->getID() &&
adjoin.id != theSpatiocyteStepper->getNullID())
{
std::cout << "species error in MT Process" << std::endl;
}
}
}
}
void MoleculePopulateProcess::populateUniformRanged(Species* aSpecies)
{
Comp* aComp(aSpecies->getComp());
double delta(0);
// Increase the compartment dimensions by delta if it is a surface
// compartment:
if(aComp->dimension == 2)
{
delta = 0.1;
}
double maxX(std::min(1.0, OriginX+UniformRadiusX));
double minX(std::max(-1.0, OriginX-UniformRadiusX));
double maxY(std::min(1.0, OriginY+UniformRadiusY));
double minY(std::max(-1.0, OriginY-UniformRadiusY));
double maxZ(std::min(1.0, OriginZ+UniformRadiusZ));
double minZ(std::max(-1.0, OriginZ-UniformRadiusZ));
maxX = aComp->centerPoint.x + maxX*aComp->lengthX/2*(1+delta);
minX = aComp->centerPoint.x + minX*aComp->lengthX/2*(1+delta);
maxY = aComp->centerPoint.y + maxY*aComp->lengthY/2*(1+delta);
minY = aComp->centerPoint.y + minY*aComp->lengthY/2*(1+delta);
maxZ = aComp->centerPoint.z + maxZ*aComp->lengthZ/2*(1+delta);
minZ = aComp->centerPoint.z + minZ*aComp->lengthZ/2*(1+delta);
std::vector<unsigned int> aCoords;
for(std::vector<unsigned int>::iterator i(aComp->coords.begin());
i != aComp->coords.end(); ++i)
{
Voxel* aVoxel(theSpatiocyteStepper->coord2voxel(*i));
Point aPoint(theSpatiocyteStepper->coord2point(aVoxel->coord));
if(aVoxel->id == aSpecies->getVacantID() &&
aPoint.x < maxX && aPoint.x > minX &&
aPoint.y < maxY && aPoint.y > minY &&
aPoint.z < maxZ && aPoint.z > minZ)
{
aCoords.push_back(*i);
}
}
unsigned int aSize(aSpecies->getPopulateMoleculeSize());
if(aCoords.size() < aSize)
{
THROW_EXCEPTION(ValueError, String(
getPropertyInterface().getClassName()) +
"[" + getFullID().asString() + "]: There are " +
int2str(aSize) + " " + getIDString(aSpecies) +
" molecules that must be uniformly populated in a " +
"given range,\n but there are only " +
int2str(aCoords.size()) + " vacant voxels of " +
getIDString(aSpecies->getVacantSpecies()) +
" that can be populated.");
}
unsigned int aCoordsArray[aCoords.size()];
for(unsigned int i(0); i != aCoords.size(); ++i)
{
aCoordsArray[i] = aCoords[i];
}
gsl_ran_shuffle(getStepper()->getRng(), aCoordsArray, aCoords.size(),
sizeof(unsigned int));
for(unsigned int i(0); i != aSize; ++i)
{
aSpecies->addMolecule(theSpatiocyteStepper->coord2voxel(aCoordsArray[i]));
}
}
bool PolymerizationProcess::setExtendedTargetVoxel(Subunit* aRefSubunit,
unsigned int aBendIndex,
double extDist)
{
Voxel* aRefVoxel(aRefSubunit->voxel);
Point* aRefPoint(&aRefSubunit->targetPoints[aBendIndex]);
std::vector<unsigned int>& extendSurface((*aRefVoxel->surfaceCoords)[EXTEND]);
int extIndex(-1);
//Check the immediate surface voxels adjoining the immediate surface voxels
//of the reference subunit, defined as the extended surface voxels:
for(unsigned int i(0); i != extendSurface.size(); ++i)
{
Voxel* aVoxel(&(*theLattice)[extendSurface[i]]);
Subunit* aSubunit(aVoxel->subunit);
//If the voxel does not already occupy a protomer
//(A protomer has at least one contPoint -- its subunitPoint)
//and it is not a shared voxel:
if(aSubunit->contPoints.empty())
{
double aDist(getDistance(aRefPoint, &aSubunit->surfacePoint));
if(aDist < extDist)
{
//Find the shared voxel which connects the reference voxel
//to the extended voxel:
std::vector<unsigned int>&
aSharedList((*aRefVoxel->surfaceCoords)[SHARED+i]);
//Check if there is an existing shared voxel or a voxel
//that is unoccupied by a protomer, which connects
//the reference voxel to the extended voxel:
for(unsigned int j(0); j!=aSharedList.size(); ++j)
{
Voxel* aSharedVoxel(&(*theLattice)[aSharedList[j]]);
if(aSharedVoxel->subunit->contPoints.empty() ||
aSharedVoxel->subunit->voxel == aRefVoxel)
{
extDist = aDist;
extIndex = i;
break;
}
}
}
}
}
//If the distance is within cut off:
//(Note that this distance could also be from an immediate voxel)
if(extDist < 1.25)
{
//If we found an extended voxel, let us select the best shared voxel:
if(extIndex != -1)
{
Voxel* aVoxel(&(*theLattice)[extendSurface[extIndex]]);
std::vector<unsigned int>&
aSharedList((*aRefVoxel->surfaceCoords)[SHARED+extIndex]);
double aSharedDist(LARGE_DISTANCE);
Voxel* aSelectedSharedVoxel(NULL);
for(unsigned int i(0); i!=aSharedList.size(); ++i)
{
Voxel* aSharedVoxel(&(*theLattice)[aSharedList[i]]);
Subunit* aSubunit(aVoxel->subunit);
//First find an existing shared voxel which connects
//the reference voxel to the extended voxel:
if(aSubunit->voxel == aRefVoxel)
{
aSelectedSharedVoxel = aSharedVoxel;
break;
}
//Otherwise find a shared voxel that is unoccupied by a protomer:
else if(aSubunit->contPoints.empty())
{
double aDist(getDistance(aRefPoint, &aSubunit->surfacePoint));
if(aDist < aSharedDist)
{
aSharedDist = aDist;
aSelectedSharedVoxel = aSharedVoxel;
}
}
}
//If the selected shared voxel is not an existing shared voxel nor
//a lipid:
if(!theSpatiocyteStepper->id2species(
aSelectedSharedVoxel->id)->getIsLipid() &&
aSelectedSharedVoxel->subunit->voxel != aRefVoxel)
{
return false;
}
if(aSelectedSharedVoxel->subunit->voxel != aRefVoxel)
{
aSelectedSharedVoxel->subunit->voxel = aRefVoxel;
//Add the subunitPoint of the reference protomer to the
//list of contPoints of the selected shared subunit:
addContPoint(aSelectedSharedVoxel->subunit,
&aRefSubunit->subunitPoint);
}
aRefSubunit->sharedLipids[aBendIndex] = aSelectedSharedVoxel;
aRefSubunit->targetVoxels[aBendIndex] = aVoxel;
}
addContPoint(aRefSubunit->targetVoxels[aBendIndex]->subunit, aRefPoint);
return true;
}
return false;
}
