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mainwindow.cpp
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#include <QMainWindow>
#include <QGuiApplication>
#include <QPropertyAnimation>
#include <chrono>
#include "mainwindow.h"
#include "initializationFunctions.h"
#include "ui_mainwindow.h"
MainWindow::~MainWindow()
{
delete ui;
}
MainWindow::MainWindow(QWidget *parent) :
QMainWindow(parent),
ui(new Ui::MainWindow)
{
ui->setupUi(this);
ui->setPhaseConstants->hide();
ui->setDistortionConstants->hide();
ui->setDistortionConstants5->hide();
ui->fireParametersWidget->hide();
ui->addObjectsWidget->hide();
ui->fileImportWidget->hide();
ui->fileSaveWidget->hide();
ui->fileLoadWidget->hide();
ui->nesterovWidget->hide();
ui->applyFieldWidget->hide();
ui->moveObjectWidget->hide();
ui->colloidalTrajectoryWidget->hide();
connect(ui->displayZone,SIGNAL(xRotationChanged(int)),ui->xRotSlider,SLOT(setValue(int)));
connect(ui->displayZone,SIGNAL(zRotationChanged(int)),ui->zRotSlider,SLOT(setValue(int)));
vector<string> deviceNames;
int nDev=0;
#ifdef ENABLE_CUDA
cudaGetDeviceCount(&nDev);
if(nDev >0)
getAvailableGPUs(deviceNames);
#endif
deviceNames.push_back("CPU");
computationalNames.resize(deviceNames.size());
for(unsigned int ii = 0; ii < computationalNames.size(); ++ii)
{
computationalNames[ii] = QString::fromStdString(deviceNames[ii]);
ui->detectedGPUBox->insertItem(ii,computationalNames[ii]);
}
if(computationalNames.size()==1)//default to smaller simulations if only CPU is available
{
ui->boxXLine->setText("20");
ui->boxYLine->setText("20");
ui->boxZLine->setText("20");
ui->boxLSize->setText("20");
}
hideControls();
QString printable = QStringLiteral("Welcome to landauDeGUI, openQmin's graphical interface!");
ui->testingBox->setText(printable);
}
void MainWindow::hideControls()
{
ui->label_41->hide();ui->label_43->hide();ui->label_44->hide();ui->label_45->hide(); ui->label_40->hide(); ui->label_42->hide();
ui->label_12->hide();ui->label_13->hide();ui->label_56->hide();ui->label_57->hide(); ui->label_7->hide(); ui->label_39->hide();
ui->resetQTensorsButton->hide();
ui->minimizeButton->hide();
ui->addObjectButton->hide();
ui->minimizationParametersButton->hide();
ui->addIterationsButton->hide();
ui->addIterationsBox->hide();
ui->displayZone->hide();
ui->drawStuffButton->hide();
ui->latticeSkipBox->hide();
ui->directorScaleBox->hide();
ui->xRotSlider->hide();
ui->zRotSlider->hide();
ui->zoomSlider->hide();
ui->visualProgressCheckBox->hide();
ui->defectThresholdBox->hide();
ui->defectDrawCheckBox->hide();
ui->progressBar->hide();
ui->reprodicbleRNGBox->hide();
ui->globalAlignmentCheckBox->hide();
ui->builtinBoundaryVisualizationBox->hide();
ui->boundaryFromFileButton->hide();
ui->nesterovMinimizationButton->hide();
ui->computeEnergyButton->hide();
ui->dipoleWidget->hide();
ui->xNormalSlider->hide();
ui->yNormalSlider->hide();
ui->zNormalSlider->hide();
ui->drawPlanesCheckBox->hide();
ui->xNormalCheckBox->hide();
ui->yNormalCheckBox->hide();
ui->zNormalCheckBox->hide();
}
void MainWindow::showControls()
{
ui->label_41->show();ui->label_43->show();ui->label_44->show();ui->label_45->show();
ui->label_39->show();ui->label_42->show();ui->label_40->show();ui->label_7->show();
ui->label_12->show();ui->label_13->show();ui->label_56->show();ui->label_57->show();
ui->defectDrawCheckBox->show();
ui->resetQTensorsButton->show();
ui->minimizeButton->show();
ui->addObjectButton->show();
ui->minimizationParametersButton->show();
ui->addIterationsButton->show();
ui->addIterationsBox->show();
ui->displayZone->show();
ui->drawStuffButton->show();
ui->latticeSkipBox->show();
ui->directorScaleBox->show();
ui->xRotSlider->show();
ui->zRotSlider->show();
ui->zoomSlider->show();
ui->visualProgressCheckBox->show();
ui->defectThresholdBox->show();
ui->progressBar->show();
ui->reprodicbleRNGBox->show();
ui->globalAlignmentCheckBox->show();
ui->builtinBoundaryVisualizationBox->show();
ui->boundaryFromFileButton->show();
ui->nesterovMinimizationButton->show();
ui->computeEnergyButton->show();
ui->xNormalSlider->show();
ui->yNormalSlider->show();
ui->zNormalSlider->show();
ui->drawPlanesCheckBox->show();
ui->xNormalCheckBox->show();
ui->yNormalCheckBox->show();
ui->zNormalCheckBox->show();
}
void MainWindow::on_initializeButton_released()
{
BoxX = ui->boxXLine->text().toInt();
BoxY = ui->boxYLine->text().toInt();
BoxZ = ui->boxZLine->text().toInt();
ui->xNormalSlider->setMaximum(BoxX-1);
ui->yNormalSlider->setMaximum(BoxY-1);
ui->zNormalSlider->setMaximum(BoxZ-1);
QString dScaleAns = QString::number(round(10*0.075*BoxX)*0.1);
QString lSkipAns = QString::number(floor(1.75 +0.0625*BoxX));
ui->directorScaleBox->setText(dScaleAns);
ui->latticeSkipBox->setText(lSkipAns);
noise.Reproducible= ui->reproducibleButton->isChecked();
ui->initializationFrame->hide();
if(noise.Reproducible)
{
ui->reprodicbleRNGBox->setChecked(true);
customFile.addLine("\tnoise.Reproducible = true;");
}
else
{
ui->reprodicbleRNGBox->setChecked(false);
customFile.addLine("\tnoise.Reproducible = false;");
}
int compDevice = ui->detectedGPUBox->currentIndex();
if(compDevice==computationalNames.size()-1)//CPU branch
{
GPU = false;
}
else//gpu branch
{
GPU = chooseGPU(compDevice);
}
simulationInitialize();
A=ui->initialPhaseA->text().toDouble();
B=ui->initialPhaseB->text().toDouble();
C=ui->initialPhaseC->text().toDouble();
sim->setCPUOperation(!GPU);
ui->progressBar->setValue(50);
S0 = (-B+sqrt(B*B-24*A*C))/(6*C);
double sampleL1=2.32;
double constK = 9.0*S0*S0*sampleL1*0.5;
QString oneConstantKs = QString::number(constK, 'f', 3);
ui->K1Box1->setText(oneConstantKs);
ui->K1K2Box1->setText(oneConstantKs);
ui->K1K2Box2->setText(oneConstantKs);
ui->K1K2K3Box1->setText(oneConstantKs);
ui->K1K2K3Box2->setText(oneConstantKs);
ui->K1K2K3Box3->setText(oneConstantKs);
ui->K24Box->setText(oneConstantKs);
Configuration->setNematicQTensorRandomly(noise,S0);
sprintf(lineBit,"\tConfiguration->setNematicQTensorRandomly(noise,%f);",S0);
customFile.addLine(lineBit);
landauLCForce->setPhaseConstants(A,B,C);
sprintf(lineBit,"\tlandauLCForce->setPhaseConstants(%f,%f,%f);",A,B,C);
customFile.addLine(lineBit);
int nC = ui->nConstantsSpinBox->value();
QString printable;
switch(nC)
{
case 1:
ui->K1checkBox->setChecked(true);
ui->K12checkBox->setChecked(false);
ui->K123checkBox->setChecked(false);
ui->K24checkBox->setChecked(true);
break;
case 2:
ui->K1checkBox->setChecked(false);
ui->K12checkBox->setChecked(true);
ui->K123checkBox->setChecked(false);
break;
case 3:
ui->K1checkBox->setChecked(false);
ui->K12checkBox->setChecked(false);
ui->K123checkBox->setChecked(true);
break;
}
ui->setDistortionConstants->show();
printable = QStringLiteral("N %8 Lx %1 Ly %2 Lz %3 gpu %4... A %5 B %6 C %7 ")
.arg(BoxX).arg(BoxY).arg(BoxZ).arg(compDevice).arg(A).arg(B).arg(C).arg(Configuration->getNumberOfParticles());
ui->testingBox->setText(printable);
ui->progressBar->setValue(100);
on_drawStuffButton_released();
ui->xNormalSlider->setValue((int) (0.5*BoxX));
ui->yNormalSlider->setValue((int) (0.5*BoxY));
ui->zNormalSlider->setValue((int) (0.5*BoxZ));
}
void MainWindow::simulationInitialize()
{
Configuration = make_shared<multirankQTensorLatticeModel>(BoxX,BoxY,BoxZ,false,false,false);
sim = make_shared<multirankSimulation>(0,1,1,1,false,false);
landauLCForce = make_shared<landauDeGennesLC>();
sim->setConfiguration(Configuration);
customFile.addLine("\tsim->setConfiguration(Configuration);");
landauLCForce->setPhaseConstants(A,B,C);
landauLCForce->setModel(Configuration);
sim->addForce(landauLCForce);
sprintf(lineBit,"\tlandauLCForce->setPhaseConstants(%f,%f,%f);",A,B,C);
customFile.addLine(lineBit);
customFile.addLine("\tlandauLCForce->setModel(Configuration);");
customFile.addLine("\tsim->addForce(landauLCForce);");
on_fireParamButton_released();
ui->reproducibleButton->setEnabled(true);
}
void MainWindow::on_phaseS0Box_textEdited(const QString &arg1)
{
A=ui->phaseABox->text().toDouble();
B=ui->phaseBBox->text().toDouble();
C=ui->phaseCBox->text().toDouble();
S0=ui->phaseS0Box->text().toDouble();
C = (2.0-B*S0)/(3.0*S0*S0);
QString valueAsString = QString::number(C);
ui->phaseCBox->setText(valueAsString);
}
void MainWindow::on_phaseBBox_textEdited(const QString &arg1)
{
A=ui->phaseABox->text().toDouble();
B=ui->phaseBBox->text().toDouble();
C=ui->phaseCBox->text().toDouble();
S0=ui->phaseS0Box->text().toDouble();
C = (2.0-B*S0)/(3.0*S0*S0);
QString valueAsString = QString::number(C);
ui->phaseCBox->setText(valueAsString);
}
void MainWindow::on_setPhaseConstantsButton_released()
{
A=ui->phaseABox->text().toDouble();
B=ui->phaseBBox->text().toDouble();
C=ui->phaseCBox->text().toDouble();
landauLCForce->setPhaseConstants(A,B,C);
sprintf(lineBit,"\tlandauLCForce->setPhaseConstants(%f,%f,%f);",A,B,C);
customFile.addLine(lineBit);
ui->setPhaseConstants->hide();
QString printable = QStringLiteral("Phase constant sum is %1").arg((A+B+C));
ui->testingBox->setText(printable);
showControls();
}
void MainWindow::on_setDistortionConstantsButton_released()
{
ui->setDistortionConstants->hide();
L1=0;L2=0;L3=0;L4=0;L6=0;
double k1, k2,k3,k24,q0;
k1=k2=k3=k24=q0=0.;
if(ui->K1checkBox->isChecked())
{
k1 = ui->K1Box1->text().toDouble();
k2 = ui->K1Box1->text().toDouble();
k3 = ui->K1Box1->text().toDouble();
}
if(ui->K12checkBox->isChecked())
{
k1 = ui->K1K2Box1->text().toDouble();
k2 = ui->K1K2Box2->text().toDouble();
k3 = ui->K1K2Box1->text().toDouble();
}
if(ui->K123checkBox->isChecked())
{
k1 = ui->K1K2K3Box1->text().toDouble();
k2 = ui->K1K2K3Box2->text().toDouble();
k3 = ui->K1K2K3Box3->text().toDouble();
}
if(ui->q0checkBox->isChecked())
q0 = ui->q0Box->text().toDouble();
if(ui->K24checkBox->isChecked())
k24 = ui->K24Box->text().toDouble();
L1=2.0*(k3-k1+3.*k2)/(27.*S0*S0);
L2=4.0*(k1-k24)/(9.*S0*S0);
L3=4.0*(k24-k2)/(9.*S0*S0);
L4=-8.0*q0*k2/(9.*S0*S0);
L6=4.0*(k3-k1)/(27.*S0*S0*S0);
printf("setting elastic constants to L1 = %.5f, L2 = %.5f, L3 = %.5f, L4 = %f, L6 = %.5f\n",L1,L2,L3,L4,L6);
if(L2 == 0 && L3 == 0 && L4 ==0 && L6 ==0)
{
cout << "using a one-constant approximation" << endl;
landauLCForce->setElasticConstants(L1,0,0,0,0);
landauLCForce->setNumberOfConstants(distortionEnergyType::oneConstant);
landauLCForce->setModel(Configuration);
sprintf(lineBit,"\tlandauLCForce->setElasticConstants(%f,0,0,0,0);",L1);
customFile.addLine(lineBit);
customFile.addLine("\tlandauLCForce->setNumberOfConstants(distortionEnergyType::oneConstant);");
customFile.addLine("\tlandauLCForce->setModel(Configuration);");
}
else
{
cout << "using a multi-constant approximation" << endl;
landauLCForce->setElasticConstants(L1,L2,L3,L4,L6);
landauLCForce->setNumberOfConstants(distortionEnergyType::multiConstant);
landauLCForce->setModel(Configuration);
sprintf(lineBit,"\tlandauLCForce->setElasticConstants(%f,%f,%f,%f,%f);",L1,L2,L3,L4,L6);
customFile.addLine(lineBit);
customFile.addLine("\tlandauLCForce->setNumberOfConstants(distortionEnergyType::multiConstant);");
customFile.addLine("\tlandauLCForce->setModel(Configuration);");
}
QString printable = QStringLiteral("Landau-deGennes constants used: L1 %1 L2 %2 L3 %3 L4 %4 L6 %5").arg(L1).arg(L2).arg(L3).arg(L4).arg(L6);
ui->testingBox->setText(printable);
showControls();
}
void MainWindow::on_setFiveConstants_released()
{
L1=ui->fiveConstantL1Box->text().toDouble();
L2=ui->fiveConstantL2Box->text().toDouble();
L3=ui->fiveConstantL3Box->text().toDouble();
L4=ui->fiveConstantL4Box->text().toDouble();
L6=ui->fiveConstantL6Box->text().toDouble();
ui->setDistortionConstants5->hide();
landauLCForce->setElasticConstants(L1,L2,L3,L4,L6);
printf("setting elastic constants to L1 = %.5f, L2 = %.5f, L3 = %.5f, L4 = %f, L6 = %.5f\n",L1,L2,L3,L4,L6);
sprintf(lineBit,"\tlandauLCForce->setElasticConstants(%f,%f,%f,%f,%f);",L1,L2,L3,L4,L6);
customFile.addLine(lineBit);
if(L2==0 && L3==0 && L4==0 && L6 ==0)
{
cout << "using a one-constant approximation" << endl;
landauLCForce->setNumberOfConstants(distortionEnergyType::oneConstant);
customFile.addLine("\tlandauLCForce->setNumberOfConstants(distortionEnergyType::oneConstant);");
}
else
{
cout << "using a multi-constant approximation" << endl;
landauLCForce->setNumberOfConstants(distortionEnergyType::multiConstant);
customFile.addLine("\tlandauLCForce->setNumberOfConstants(distortionEnergyType::multiConstant);");
}
landauLCForce->setNumberOfConstants(distortionEnergyType::multiConstant);
QString printable = QStringLiteral("five-elastic-constant approximation set: L1 %1 L2 %2 L3 %3 L4 %4 L6 %5").arg(L1).arg(L2).arg(L3).arg(L4).arg(L6);
ui->testingBox->setText(printable);
landauLCForce->setModel(Configuration);
showControls();
customFile.addLine("\tlandauLCForce->setModel(Configuration);");
}
void MainWindow::on_fireParamButton_released()
{
sim->clearUpdaters();
fire = make_shared<energyMinimizerFIRE>(Configuration);
sim->addUpdater(fire,Configuration);
sim->setCPUOperation(!GPU);
customFile.addLine("\tsim->clearUpdaters();");
customFile.addLine("\tfire = make_shared<energyMinimizerFIRE>(Configuration);");
ui->fireParametersWidget->hide();
ui->progressBar->setValue(0);
scalar dt = ui->dtBox->text().toDouble();
scalar alphaStart= ui->alphaStartBox->text().toDouble();
scalar deltaTMax=ui->dtMaxBox->text().toDouble();
scalar deltaTInc=ui->dtIncBox->text().toDouble();
scalar deltaTDec=ui->dtDecBox->text().toDouble();
scalar alphaDec=ui->alphaDecBox->text().toDouble();
int nMin=ui->nMinBox->text().toInt();
scalar forceCutoff=ui->forceCutoffBox->text().toDouble();
scalar alphaMin = ui->alphaMinBox->text().toDouble();
maximumIterations = ui->maxIterationsBox->text().toInt();
fire->setCurrentIterations(0);
fire->setFIREParameters(dt,alphaStart,deltaTMax,deltaTInc,deltaTDec,alphaDec,nMin,forceCutoff,alphaMin);
fire->setMaximumIterations(maximumIterations);
QString printable = QStringLiteral("Minimization parameters set, force cutoff of %1 dt between %2 and %3 chosen").arg(forceCutoff).arg(dt).arg(deltaTMax);
ui->testingBox->setText(printable);
ui->progressBar->setValue(100);
sprintf(lineBit,"\tfire->setCurrentIterations(0);");
customFile.addLine(lineBit);
sprintf(lineBit,"\tfire->setFIREParameters(%.10f,%f,%f,%f,%f,%f,%i,%.16f,%f);",dt,alphaStart,deltaTMax,deltaTInc,deltaTDec,alphaDec,nMin,forceCutoff,alphaMin);
customFile.addLine(lineBit);
sprintf(lineBit,"\tfire->setMaximumIterations(%i);",maximumIterations);
customFile.addLine(lineBit);
customFile.addLine("\tsim->addUpdater(fire,Configuration);");
}
void MainWindow::on_minimizeButton_released()
{
customFile.addLine("\t{auto upd = sim->updaters[0].lock();");
sprintf(lineBit,"\tupd->setCurrentIterations(0);");
customFile.addLine(lineBit);
sprintf(lineBit,"\tupd->setMaximumIterations(%i);}",maximumIterations);
customFile.addLine(lineBit);
sprintf(lineBit,"\tsim->setCPUOperation(!sim->useGPU);");
customFile.addLine(lineBit);
customFile.addLine("\tsim->performTimestep();");
bool graphicalProgress = ui->visualProgressCheckBox->isChecked();
auto upd = sim->updaters[0].lock();
ui->progressBar->setValue(0);
QString printable1 = QStringLiteral("minimizing");
ui->testingBox->setText(printable1);
auto t1 = chrono::system_clock::now();
int initialIterations = upd->getCurrentIterations();
if(!graphicalProgress)
sim->performTimestep();
else
{
int stepsToTake = maximumIterations;
for (int ii = 1; ii <= 10; ++ii)
{
upd->setMaximumIterations(upd->getCurrentIterations()+stepsToTake/10);
sim->performTimestep();
QString printable2 = QStringLiteral("minimizing");
ui->testingBox->setText(printable2);
on_drawStuffButton_released();
ui->progressBar->setValue(10*ii);
ui->testingBox->setText(printable2);
};
};
int iterationsTaken = upd->getCurrentIterations() - initialIterations;
ui->progressBar->setValue(50);
auto t2 = chrono::system_clock::now();
chrono::duration<scalar> diff = t2-t1;
ui->progressBar->setValue(75);
ui->progressBar->setValue(80);
on_drawStuffButton_released();
scalar maxForce = sim->getMaxForce();
QString printable = QStringLiteral("minimization iterations took %2 total time for %3 steps...<f> = %4 ")
.arg(diff.count()).arg(iterationsTaken).arg(maxForce);
ui->testingBox->setText(printable);
ui->progressBar->setValue(100);
}
void MainWindow::on_resetQTensorsButton_released()
{
ui->progressBar->setValue(0);
QString printable1 = QStringLiteral("resetting q tensors ");
ui->progressBar->setValue(20);
ui->testingBox->setText(printable1);
ui->progressBar->setValue(40);
scalar S0 = (-B+sqrt(B*B-24*A*C))/(6*C);
ui->progressBar->setValue(60);
fire->setCurrentIterations(0);
if(noise.Reproducible)
noise.setReproducibleSeed(13377);
bool globalAlignment = ui->globalAlignmentCheckBox->isChecked();
Configuration->setNematicQTensorRandomly(noise,S0,globalAlignment);
if(globalAlignment)
{
sprintf(lineBit,"\tConfiguration->setNematicQTensorRandomly(noise,%f,true);",S0);
customFile.addLine(lineBit);
}
else
{
sprintf(lineBit,"\tConfiguration->setNematicQTensorRandomly(noise,%f,false);",S0);
customFile.addLine(lineBit);
}
ui->progressBar->setValue(80);
QString printable = QStringLiteral("Qtensor values reset at S0=%1...").arg(S0);
ui->testingBox->setText(printable);
ui->progressBar->setValue(100);
if(ui->visualProgressCheckBox->isChecked())
on_drawStuffButton_released();
}
void MainWindow::on_addIterationsButton_released()
{
bool graphicalProgress = ui->visualProgressCheckBox->isChecked();
ui->progressBar->setValue(0);
int additionalIterations = ui->addIterationsBox->text().toInt();
maximumIterations = additionalIterations;
int subdivisions = 10;
customFile.addLine("\t{auto upd = sim->updaters[0].lock();");
customFile.addLine("\tupd->setCurrentIterations(0);");
sprintf(lineBit,"\tupd->setMaximumIterations(%i);}",maximumIterations);
customFile.addLine(lineBit);
customFile.addLine("\tsim->performTimestep();");
if (iterationsPerColloidalEvolution >0)
subdivisions = additionalIterations / iterationsPerColloidalEvolution;
int stepsPerSubdivision = additionalIterations / subdivisions;
vector<int3> moveChain;
for (int ii = 0; ii < subdivisions; ++ii)
{
{
auto upd = sim->updaters[0].lock();
int curIterations = upd->getCurrentIterations();
upd->setMaximumIterations(curIterations+stepsPerSubdivision);
}
sim->performTimestep();
if(iterationsPerColloidalEvolution > 0)
{
for (int bb = 0; bb < Configuration->boundaryState.size();++bb)
{
if(Configuration->boundaryState[bb]==1)
landauLCForce->computeObjectForces(bb);
}
for (int bb = 0; bb < Configuration->boundaryState.size();++bb)
{
if(Configuration->boundaryState[bb]==1)
{
scalar3 currentForce = Configuration->boundaryForce[bb];
int dirx = -10;int diry = -10;int dirz = -10;
bool moved = false;
if(colloidalEvolutionPrefactor*currentForce.x > 1 || colloidalEvolutionPrefactor*currentForce.x < -1)
{
dirx = (currentForce.x > 0) ? 1 : 0;
currentForce.x = 1;moved = true;
Configuration->boundaryForce[bb].x = 0;
};
if(colloidalEvolutionPrefactor*currentForce.y > 1|| colloidalEvolutionPrefactor*currentForce.y < -1)
{
diry = (currentForce.y > 0) ? 3 : 2;
currentForce.y = 1;moved = true;
Configuration->boundaryForce[bb].y = 0;
};
if(colloidalEvolutionPrefactor*currentForce.z > 1|| colloidalEvolutionPrefactor*currentForce.z < -1)
{
dirz = (currentForce.z > 0) ? 5 : 4;
currentForce.z = 1;moved = true;
Configuration->boundaryForce[bb].z = 0;
};
if(moved)
{
int xm=0; int ym = 0; int zm = 0;
if(dirx >= 0)
{
Configuration->displaceBoundaryObject(bb, dirx,1);
xm = (dirx ==0 ) ? -1 : 1;
}
if(diry >= 0)
{
Configuration->displaceBoundaryObject(bb, diry,1);
ym = (diry ==2) ? -1 : 1;
}
if(dirz >= 0)
{
Configuration->displaceBoundaryObject(bb, dirz,1);
zm = (dirz ==4) ? -1 : 1;
}
int3 thisMove; thisMove.x = xm; thisMove.y=ym;thisMove.z=zm;
moveChain.push_back(thisMove);
}
}
}
}//end check of colloidal moves
if(graphicalProgress) on_drawStuffButton_released();
int progress = ((1.0*ii/(1.0*subdivisions))*100);
QString printable2 = QStringLiteral("evolving... %1 percent done").arg(progress);
ui->testingBox->setText(printable2);
ui->progressBar->setValue(progress);
}
scalar maxForce = sim->getMaxForce();
QString printable3 = QStringLiteral("system evolved...mean force is %1").arg(maxForce);
ui->testingBox->setText(printable3);
ui->progressBar->setValue(100);
/*
printf("move chain:\n");
for(int ii = 0; ii < moveChain.size(); ++ii)
printf("{%i,%i,%i},",moveChain[ii].x,moveChain[ii].y,moveChain[ii].z);
printf("\nmove chain end :\n");
*/
}
void MainWindow::on_drawStuffButton_released()
{
ArrayHandle<dVec> Q(Configuration->returnPositions(),access_location::host,access_mode::read);
ArrayHandle<int> types(Configuration->returnTypes(),access_location::host,access_mode::read);
vector<scalar> eVals(3);
vector<scalar> eVec1(3);
vector<scalar> eVec2(3);
vector<scalar> eVec3(3);
int skip = ui->latticeSkipBox->text().toInt();
scalar scale = ui->directorScaleBox->text().toDouble();
bool defectDraw = ui->defectDrawCheckBox->isChecked();
scalar defectCutoff = ui->defectThresholdBox->text().toDouble();
int N = Configuration->getNumberOfParticles();
int n = (int)floor(N/skip);
vector<scalar3> lineSegments;
vector<scalar3> defects;
scalar3 director;
QString printable1 = QStringLiteral("finding directors ");
//ui->testingBox->setText(printable1);
if(ui->drawPlanesCheckBox->isChecked())
{
if(ui->xNormalCheckBox->isChecked())
{
int xPlane = ui->xNormalSlider->sliderPosition();
for (int yy = 0; yy < BoxY; yy += skip)
for (int zz = 0; zz < BoxZ; zz += skip)
{
int3 curIdx; curIdx.x=xPlane;curIdx.y=yy;curIdx.z=zz;
int ii = Configuration->latticeSiteToLinearIndex(curIdx);
if(types.data[ii]>0)
continue;
eigensystemOfQ(Q.data[ii],eVals,eVec1,eVec2,eVec3);
director.x=eVec3[0];
director.y=eVec3[1];
director.z=eVec3[2];
int3 pos = Configuration->latticeIndex.inverseIndex(ii);
scalar3 lineSegment1;
scalar3 lineSegment2;
lineSegment1.x = pos.x-0.5*scale*director.x;
lineSegment2.x = pos.x+0.5*scale*director.x;
lineSegment1.y = pos.y-0.5*scale*director.y;
lineSegment2.y = pos.y+0.5*scale*director.y;
lineSegment1.z = pos.z-0.5*scale*director.z;
lineSegment2.z = pos.z+0.5*scale*director.z;
lineSegments.push_back(lineSegment1);
lineSegments.push_back(lineSegment2);
}
}
if(ui->yNormalCheckBox->isChecked())
{
int yPlane = ui->yNormalSlider->sliderPosition();
for (int xx = 0; xx < BoxX; xx += skip)
for (int zz = 0; zz < BoxZ; zz += skip)
{
int3 curIdx; curIdx.x=xx; curIdx.y=yPlane;curIdx.z=zz;
int ii = Configuration->latticeSiteToLinearIndex(curIdx);
if(types.data[ii]>0)
continue;
eigensystemOfQ(Q.data[ii],eVals,eVec1,eVec2,eVec3);
director.x=eVec3[0];
director.y=eVec3[1];
director.z=eVec3[2];
int3 pos = Configuration->latticeIndex.inverseIndex(ii);
scalar3 lineSegment1;
scalar3 lineSegment2;
lineSegment1.x = pos.x-0.5*scale*director.x;
lineSegment2.x = pos.x+0.5*scale*director.x;
lineSegment1.y = pos.y-0.5*scale*director.y;
lineSegment2.y = pos.y+0.5*scale*director.y;
lineSegment1.z = pos.z-0.5*scale*director.z;
lineSegment2.z = pos.z+0.5*scale*director.z;
lineSegments.push_back(lineSegment1);
lineSegments.push_back(lineSegment2);
}
}
if(ui->zNormalCheckBox->isChecked())
{
int zPlane = ui->zNormalSlider->sliderPosition();
for (int xx = 0; xx < BoxX; xx += skip)
for (int yy = 0; yy < BoxY; yy += skip)
{
int3 curIdx; curIdx.x=xx; curIdx.y=yy; curIdx.z=zPlane;
int ii = Configuration->latticeSiteToLinearIndex(curIdx);
if(types.data[ii]>0)
continue;
eigensystemOfQ(Q.data[ii],eVals,eVec1,eVec2,eVec3);
director.x=eVec3[0];
director.y=eVec3[1];
director.z=eVec3[2];
int3 pos = Configuration->latticeIndex.inverseIndex(ii);
scalar3 lineSegment1;
scalar3 lineSegment2;
lineSegment1.x = pos.x-0.5*scale*director.x;
lineSegment2.x = pos.x+0.5*scale*director.x;
lineSegment1.y = pos.y-0.5*scale*director.y;
lineSegment2.y = pos.y+0.5*scale*director.y;
lineSegment1.z = pos.z-0.5*scale*director.z;
lineSegment2.z = pos.z+0.5*scale*director.z;
lineSegments.push_back(lineSegment1);
lineSegments.push_back(lineSegment2);
}
}
}
else
{
for (int xx = 0; xx < BoxX; xx += skip)
for (int yy = 0; yy < BoxY; yy += skip)
for (int zz = 0; zz < BoxZ; zz += skip)
{
int3 curIdx; curIdx.x=xx;curIdx.y=yy;curIdx.z=zz;
int ii = Configuration->latticeSiteToLinearIndex(curIdx);
if(types.data[ii]>0)
continue;
eigensystemOfQ(Q.data[ii],eVals,eVec1,eVec2,eVec3);
director.x=eVec3[0];
director.y=eVec3[1];
director.z=eVec3[2];
int3 pos = Configuration->latticeIndex.inverseIndex(ii);
scalar3 lineSegment1;
scalar3 lineSegment2;
lineSegment1.x = pos.x-0.5*scale*director.x;
lineSegment2.x = pos.x+0.5*scale*director.x;
lineSegment1.y = pos.y-0.5*scale*director.y;
lineSegment2.y = pos.y+0.5*scale*director.y;
lineSegment1.z = pos.z-0.5*scale*director.z;
lineSegment2.z = pos.z+0.5*scale*director.z;
lineSegments.push_back(lineSegment1);
lineSegments.push_back(lineSegment2);
}
};
if(defectDraw)
{
QString printable2 = QStringLiteral("finding defects ");
//ui->testingBox->setText(printable2);
Configuration->computeDefectMeasures(0);
ArrayHandle<scalar> defectStrength(Configuration->defectMeasures,access_location::host,access_mode::read);
for (int ii = 0; ii < N; ++ii)
{
if(types.data[ii]>0 || defectStrength.data[ii]>defectCutoff)
continue;
int3 pos = Configuration->latticeIndex.inverseIndex(ii);
scalar3 p;p.x=pos.x;p.y=pos.y;p.z=pos.z;
defects.push_back(p);
}
}
ui->displayZone->setLines(lineSegments,Configuration->latticeIndex.sizes);
ui->displayZone->setDefects(defects,Configuration->latticeIndex.sizes);
bool goodVisualization = ui->builtinBoundaryVisualizationBox->isChecked();
if(goodVisualization)
{
ui->displayZone->setSpheres(Configuration->latticeIndex.sizes);
ui->displayZone->drawBoundaries = true;
}
else
{
on_builtinBoundaryVisualizationBox_released();
};
//QString printable3 = QStringLiteral("drawing stuff ");
//ui->testingBox->setText(printable3);
ui->displayZone->update();
}
void MainWindow::on_xRotSlider_valueChanged(int value)
{
ui->displayZone->setXRotation(value);
}
void MainWindow::on_zRotSlider_valueChanged(int value)
{
ui->displayZone->setZRotation(value);
}
void MainWindow::on_zoomSlider_valueChanged(int value)
{
zoom = value;
ui->displayZone->zoom = zoom;
ui->displayZone->setLines(ui->displayZone->lines,Configuration->latticeIndex.sizes);
on_builtinBoundaryVisualizationBox_released();
on_drawStuffButton_released();
}
void MainWindow::on_xNormalSlider_valueChanged(int value)
{
if(ui->xNormalCheckBox->isChecked())
on_drawStuffButton_released();
}
void MainWindow::on_yNormalSlider_valueChanged(int value)
{
if(ui->yNormalCheckBox->isChecked())
on_drawStuffButton_released();
}
void MainWindow::on_zNormalSlider_valueChanged(int value)
{
if(ui->zNormalCheckBox->isChecked())
on_drawStuffButton_released();
}
void MainWindow::on_addSphereButton_released()
{
scalar3 spherePos;
spherePos.x = ui->xSpherePosBox->text().toDouble()*BoxX;
spherePos.y = ui->ySpherePosBox->text().toDouble()*BoxX;
spherePos.z = ui->zSpherePosBox->text().toDouble()*BoxX;
scalar rad = ui->sphereRadiusBox->text().toDouble()*BoxX;
customFile.addLine("{scalar3 spherePos;");
sprintf(lineBit,"\tspherePos.x =%f*globalLx;",ui->xSpherePosBox->text().toDouble());
customFile.addLine(lineBit);
sprintf(lineBit,"\tspherePos.y =%f*globalLy;",ui->ySpherePosBox->text().toDouble());
customFile.addLine(lineBit);
sprintf(lineBit,"\tspherePos.z =%f*globalLz;",ui->zSpherePosBox->text().toDouble());
customFile.addLine(lineBit);
sprintf(lineBit,"\tscalar rad = %f*globalLx;",ui->sphereRadiusBox->text().toDouble());
customFile.addLine(lineBit);
scalar W0 = ui->boundaryEnergyBox->text().toDouble();
scalar s0b = ui->boundaryS0Box->text().toDouble();
QString homeotropic ="homeotropic anchoring";
QString planarDegenerate="planar degenerate anchoring";
if(ui->anchoringComboBox->currentText() ==homeotropic)
{
boundaryObject homeotropicBoundary(boundaryType::homeotropic,W0,s0b);
sim->createSphericalColloid(spherePos,rad,homeotropicBoundary);
sprintf(lineBit,"\tboundaryObject homeotropicBoundary(boundaryType::homeotropic,%f,%f);",W0,s0b);
customFile.addLine(lineBit);
customFile.addLine("sim->createSphericalColloid(spherePos,rad,homeotropicBoundary);}");
}
else if(ui->anchoringComboBox->currentText() ==planarDegenerate)
{
boundaryObject planarDegenerateBoundary(boundaryType::degeneratePlanar,W0,s0b);
sim->createSphericalColloid(spherePos,rad,planarDegenerateBoundary);
sprintf(lineBit,"\tboundaryObject planarDegenerateBoundary(boundaryType::degeneratePlanar,%f,%f);",W0,s0b);
customFile.addLine(lineBit);
customFile.addLine("sim->createSphericalColloid(spherePos,rad,planarDegenerateBoundary);}");
}
spherePositions.push_back(spherePos);
sphereRadii.push_back(rad);
QString printable1 = QStringLiteral("sphere added ");
ui->testingBox->setText(printable1);
ui->displayZone->addSphere(spherePos,rad);
}
void MainWindow::on_addWallButton_released()
{
scalar W0 = ui->boundaryEnergyBox->text().toDouble();
scalar s0b = ui->boundaryS0Box->text().toDouble();
QString X ="x";
QString Y ="y";
QString Z ="z";
int xyz=2;
if(ui->wallNormalBox->currentText()==X)
xyz=0;
if(ui->wallNormalBox->currentText()==Y)
xyz=1;
if(ui->wallNormalBox->currentText()==Z)
xyz=2;
QString homeotropic ="homeotropic anchoring";
QString planarDegenerate="planar degenerate anchoring";
int plane = ui->wallPlaneBox->text().toInt();
int wallType = 0;
if(ui->anchoringComboBox->currentText() ==homeotropic)
{
boundaryObject homeotropicBoundary(boundaryType::homeotropic,W0,s0b);
sim->createWall(xyz,plane,homeotropicBoundary);
sprintf(lineBit,"\t{boundaryObject homeotropicBoundary(boundaryType::homeotropic,%f,%f);",W0,s0b);
customFile.addLine(lineBit);
sprintf(lineBit,"\tsim->createWall(%i,%i,homeotropicBoundary);}",xyz,plane);
customFile.addLine(lineBit);
}
else if(ui->anchoringComboBox->currentText() ==planarDegenerate)
{
boundaryObject planarDegenerateBoundary(boundaryType::degeneratePlanar,W0,s0b);
sim->createWall(xyz,plane,planarDegenerateBoundary);
wallType = 1;
sprintf(lineBit,"\t{boundaryObject planarDegenerateBoundary(boundaryType::degeneratePlanar,%f,%f);",W0,s0b);
customFile.addLine(lineBit);
sprintf(lineBit,"\tsim->createWall(%i,%i,planarDegenerateBoundary);}",xyz,plane);
customFile.addLine(lineBit);
}
int3 pnt; pnt.x = plane; pnt.y = xyz; pnt.z=wallType;
ui->displayZone->addWall(pnt);
if(pnt.x ==0)
{
int3 PntPeriodicCopy;PntPeriodicCopy.y=pnt.y;PntPeriodicCopy.z=pnt.z;
if(xyz==0)
PntPeriodicCopy.x = Configuration->latticeIndex.sizes.x;
if(xyz==1)
PntPeriodicCopy.x = Configuration->latticeIndex.sizes.y;
if(xyz==2)
PntPeriodicCopy.x = Configuration->latticeIndex.sizes.z;
ui->displayZone->addWall(PntPeriodicCopy);
}
QString printable1 = QStringLiteral("flat boundary added in direction %1 on plane %2").arg(xyz).arg(plane);
ui->testingBox->setText(printable1);
}
void MainWindow::on_finishedWithObjectsButton_released()
{
on_drawStuffButton_released();
sim->finalizeObjects();
customFile.addLine("\tsim->finalizeObjects();");
QString printable1 = QStringLiteral("finished adding objects...for now!");
ui->testingBox->setText(printable1);
}
void MainWindow::on_actionReset_the_system_triggered()
{
hideControls();
ui->displayZone->clearObjects();
ui->addObjectsWidget->hide();
ui->initializationFrame->show();
ui->builtinBoundaryVisualizationBox->setChecked(true);
QString printable1 = QStringLiteral("system reset");
ui->testingBox->setText(printable1);
}
void MainWindow::on_reprodicbleRNGBox_stateChanged(int arg1)
{
bool repro = ui->reprodicbleRNGBox->isChecked();
noise.Reproducible= repro;
if(repro)
{
noise.setReproducibleSeed(13377);
customFile.addLine("\tnoise.Reproducible= true;");
customFile.addLine("\tsim->setReproducible(true);");
}
else
{
customFile.addLine("\tnoise.Reproducible= false;");
customFile.addLine("\tsim->setReproducible(false);");
}
sim->setReproducible(repro);
}
void MainWindow::on_builtinBoundaryVisualizationBox_released()
{
QString printable1 = QStringLiteral("Changing style of boundary visualization");
//ui->testingBox->setText(printable1);
if(!ui->builtinBoundaryVisualizationBox->isChecked())
{
int totalSize = 0;
for (int bb = 0; bb < Configuration->boundarySites.size();++bb)
totalSize += Configuration->boundarySites[bb].getNumElements();
vector<int3> bsites;bsites.reserve(totalSize);
for (int bb = 0; bb < Configuration->boundarySites.size();++bb)
{