void IndirectFitPlotPresenter::plotResult(MatrixWorkspace_sptr result) {
plotInput(result, 0);
plotFit(result, 1);
plotDifference(result, 2);
updatePlotRange(m_model->getResultRange());
}
void PltWin::drawIt(QPainter *p)
{
QString txt;
double x, y, x0, y0, x1, y1, x2, y2, xprev, yprev, shift, ubmin, ubmax, ub, alpha;
int n, layer, lay, prev_layer, circDia, i, j, at, ichain, a, istart, iend, icurr, xs, ys;
int idx, nmax;
bool dum;
QPen *pen = new QPen();
QBrush *brush = new QBrush();
QBrush *brush_unrld = new QBrush();
// antialiasing of primitives if ANTIALIASE is set to true
if (!paintEPS) p->setRenderHint(QPainter::Antialiasing, ANTIALIASE);
// plot the grain boundary line
if (isGBfile && showGB) {
x0 = ZFact*xyzMin(1) - xPan - (ZFact-1)*xyzCen(1);
x1 = ZFact*xyzMax(1) - xPan - (ZFact-1)*xyzCen(1);
y = ZFact*gbYcoor - yPan - (ZFact-1)*xyzCen(2);
DrawLine(p, x0, y, x1, y);
}
if (AtomPos==COMPOSITE) {
if (!paintEPS) {
brush_unrld->setColor( Qt::lightGray );
brush_unrld->setStyle( Qt::SolidPattern );
}
}
// plotting of atomic arrangement in the initial configuration
prev_layer = -1;
x0 = y0 = x1 = y1 = 0;
// need to construct the neighbor list in the relaxed configuration
if (plotType == PLOT_ATOM_NEIGHBORS) {
if (AtomPos == UNRELAXED && NeighListInit.data == NULL)
InitNeighborList(this, NeighListInit, numNeighInit);
if ((AtomPos == RELAXED || AtomPos == COMPOSITE) && NeighListRel.data == NULL)
RelNeighborList(this, rcut, NeighListRel, numNeighRel);
if (AtomPos == UNRELAXED) {
nmax = -1;
for (at=1; at<=NInit; at++) {
n = numNeighInit(at);
if (n > nmax) nmax = n;
}
colormap(nmax+1, cmap);
}
if (AtomPos == RELAXED) {
nmax = -1;
for (at=1; at<=NRel; at++) {
n = numNeighRel(at);
if (n > nmax) nmax = n;
}
colormap(nmax+1, cmap);
}
}
if (plotType == PLOT_ATOM_TYPES) {
nmax = -1;
for (at=1; at<=NInit; at++) {
n = atomType(at);
if (n > nmax) nmax = n;
}
colormap(nmax, cmap);
}
//
// Plot the atomic configuration such that the atoms in the front (in the top layer) are plotted
// at the end.
//
for (i=1; i<=NInit; i++) {
at = aorder(i);
if (!zLayerSel(zLayer(at)))
continue;
layer = zLayer(at);
circDia = zDiamLayer(layer);
switch(plotType) {
case PLOT_ATOM_LAYERS:
layer = zLayer(at);
if (!paintEPS && layer != prev_layer) {
pen->setColor(zColorLayer(layer, 1));
pen->setWidth(zLineThickLayer(layer));
p->setPen(*pen);
brush->setColor(zColorLayer(layer, 2));
brush->setStyle(Qt::SolidPattern);
p->setBrush(*brush);
}
break;
case PLOT_ATOM_TYPES:
lay = layer;
layer = atomType(at);
if (!paintEPS && layer != prev_layer) {
pen->setColor(Qt::black);
pen->setWidth(zLineThickLayer(lay));
p->setPen(*pen);
if (layer == 0) {
brush->setColor(Qt::lightGray);
} else {
brush->setColor(cmap[layer-1]);
}
brush->setStyle(Qt::SolidPattern);
p->setBrush(*brush);
}
break;
case PLOT_ATOM_NEIGHBORS:
lay = layer;
if (AtomPos == UNRELAXED)
layer = numNeighInit(at);
else if (AtomPos == RELAXED || AtomPos == COMPOSITE)
layer = numNeighRel(at);
if (!paintEPS && layer != prev_layer) {
pen->setColor(Qt::black);
pen->setWidth(zLineThickLayer(lay));
p->setPen(*pen);
if (layer == 0)
brush->setColor(Qt::lightGray);
else {
brush->setColor(QColor(cmap[layer]));
}
brush->setStyle(Qt::SolidPattern);
p->setBrush(*brush);
}
break;
}
if (layer != prev_layer) prev_layer = layer;
switch(AtomPos) {
case UNRELAXED:
x = ZFact*xyzInit(at,1) - xPan - (ZFact-1)*xyzCen(1);
y = ZFact*xyzInit(at,2) - yPan - (ZFact-1)*xyzCen(2);
DrawAtom(p, at, x, y, circDia);
break;
case RELAXED:
x = ZFact*(xyzInit(at,1) + AtomDispScale*aDisp(at,1)) - xPan - (ZFact-1)*xyzCen(1);
y = ZFact*(xyzInit(at,2) + AtomDispScale*aDisp(at,2)) - yPan - (ZFact-1)*xyzCen(2);
DrawAtom(p, at, x, y, circDia);
break;
case COMPOSITE:
if (!paintEPS) { p->setBrush( *brush_unrld ); }
x = ZFact*xyzInit(at,1) - xPan - (ZFact-1)*xyzCen(1);
y = ZFact*xyzInit(at,2) - yPan - (ZFact-1)*xyzCen(2);
DrawAtom(p, -1, x, y, circDia);
if (!paintEPS) { p->setBrush( *brush ); }
x = ZFact*(xyzInit(at,1) + AtomDispScale*aDisp(at,1)) - xPan - (ZFact-1)*xyzCen(1);
y = ZFact*(xyzInit(at,2) + AtomDispScale*aDisp(at,2)) - yPan - (ZFact-1)*xyzCen(2);
DrawAtom(p, at, x, y, circDia);
break;
}
if (x < x0) x0 = x;
if (x > x1) x1 = x;
if (y < y0) y0 = y;
if (y > y1) y1 = y;
// atom numbers
if (AtomNumbers) {
txt.sprintf("%d", at);
shift = circDia/(2.0*factor);
DrawText(p, x+shift, y+shift, txt);
}
}
// plot the inert atoms
if (InertAtoms) {
if (!paintEPS) {
pen->setColor(Qt::black);
pen->setWidth(zLineThickLayer(layer));
p->setPen(*pen);
brush->setColor(Qt::black);
brush->setStyle(Qt::NoBrush);
p->setBrush( *brush );
}
for (at=1; at<=NInert; at++) {
// plot only those atoms which belong to the selected (active) layers
// if (!zLayerSel(zLayer(n)))
// continue;
x = ZFact*xyzInert(at,1) - xPan - (ZFact-1)*xyzCen(1);
y = ZFact*xyzInert(at,2) - yPan - (ZFact-1)*xyzCen(2);
DrawAtom(p, 0, x, y, circDia);
}
}
// highlight the atoms picked
if (!paintEPS && napicked > 0) {
pen->setColor(Qt::green);
pen->setWidth(2);
p->setPen(*pen);
brush->setStyle(Qt::NoBrush);
p->setBrush(*brush);
dum = ATOM_3DSPHERE;
ATOM_3DSPHERE = false;
for (n=1; n<=napicked; n++) {
at = apicked(n);
x = ZFact*xyzInit(at,1) - xPan - (ZFact-1)*xyzCen(1);
y = ZFact*xyzInit(at,2) - yPan - (ZFact-1)*xyzCen(2);
DrawAtom(p, at, x, y, circDia+4);
if (n > 1) DrawLine(p, xprev, yprev, x, y);
xprev = x;
yprev = y;
}
ATOM_3DSPHERE = dum;
}
// highlight the atoms in selected chains
if (!paintEPS && nchain > 0) {
pen->setColor(Qt::green);
pen->setWidth(2);
p->setPen(*pen);
for (ichain=1; ichain<=nchain; ichain++) {
for (i=1; i<=nachain(ichain); i++) {
a = achain(ichain,i);
x = ZFact*xyzInit(a,1) - xPan - (ZFact-1)*xyzCen(1);
y = ZFact*xyzInit(a,2) - yPan - (ZFact-1)*xyzCen(2);
if (i>1) DrawLine(p, x0, y0, x, y);
x0 = x;
y0 = y;
}
}
if (!paintEPS && nchain >= 2) {
QPen *pen2 = new QPen();
pen2->setColor(Qt::green);
pen2->setStyle(Qt::DashLine);
p->setPen(*pen2);
for (i=1; i<nchain; i+=2) {
x1 = ZFact*dposchain(i,1) - xPan - (ZFact-1)*xyzCen(1);
y1 = ZFact*dposchain(i,2) - yPan - (ZFact-1)*xyzCen(2);
x2 = ZFact*dposchain(i+1,1) - xPan - (ZFact-1)*xyzCen(1);
y2 = ZFact*dposchain(i+1,2) - yPan - (ZFact-1)*xyzCen(2);
DrawLine(p, x1, y1, x2, y2);
}
}
}
// plotting the coordinate system centered at the initial position of
// the dislocation line
if (PlaneTraces) DrawPlaneTraces(p, x0, y0, x1, y1);
// plotting of arrows
if (arrNeighNum > 0) {
if (!paintEPS) {
pen->setColor(Qt::black);
pen->setWidth(thicknessArrow);
p->setPen(*pen);
p->setBrush(Qt::black);
}
switch(DispComponent) {
case EDGE:
plotEdgeComponent(p);
break;
case SCREW:
plotScrewComponent(p);
break;
case PROJ:
plotScrewComponent(p); // plotted the same way as screw components
break;
case DIFF_EDGE:
case DIFF_SCREW:
plotDifference(p);
break;
}
}
// position of dislocation center
if (DisloCenter) {
DrawLine(p, xCore, y0, xCore, y1);
DrawLine(p, x0, yCore, x1, yCore);
}
// small inset to show the active Z-layers
if (!paintEPS && showZLayers)
ShowActiveZLayers(p);
// show color map
if (!paintEPS && (plotType == PLOT_ATOM_TYPES || plotType == PLOT_ATOM_NEIGHBORS))
ShowColorMap(p);
// lines showing the division of the block into cells (for the linked neighbor list)
if (showNeighCells) {
if (!paintEPS) {
pen->setColor(Qt::black);
p->setPen(*pen);
}
for (i=0; i<=ncell(1); i++) {
x = ZFact*(xyzMin(1)+i*cellsize(1)) - xPan - (ZFact-1)*xyzCen(1);
y0 = ZFact*xyzMin(2) - yPan - (ZFact-1)*xyzCen(2);
y1 = ZFact*xyzMax(2) - yPan - (ZFact-1)*xyzCen(2);
DrawLine(p, x, y0, x, y1);
for (j=0; j<=ncell(2); j++) {
y = ZFact*(xyzMin(2)+j*cellsize(2)) - yPan - (ZFact-1)*xyzCen(2);
x0 = ZFact*xyzMin(1) - xPan - (ZFact-1)*xyzCen(1);
x1 = ZFact*xyzMax(1) - xPan - (ZFact-1)*xyzCen(1);
DrawLine(p, x0, y, x1, y);
}
}
}
// coordinate system of the block
if (!paintEPS && showCSys)
ShowCSys(p);
// show the polygon that encompasses the dislocation center
if (!paintEPS && ndpoly > 0) {
pen->setColor(Qt::green);
p->setPen(*pen);
for (n=1; n<=ndpoly; n++) {
x1 = ZFact*dpoly(n,1) - xPan - (ZFact-1)*xyzCen(1);
y1 = ZFact*dpoly(n,2) - yPan - (ZFact-1)*xyzCen(2);
if (n<ndpoly) {
x2 = ZFact*dpoly(n+1,1) - xPan - (ZFact-1)*xyzCen(1);
y2 = ZFact*dpoly(n+1,2) - yPan - (ZFact-1)*xyzCen(2);
} else {
x2 = ZFact*dpoly(1,1) - xPan - (ZFact-1)*xyzCen(1);
y2 = ZFact*dpoly(1,2) - yPan - (ZFact-1)*xyzCen(2);
}
DrawLine(p, x1, y1, x2, y2);
}
}
if (!paintEPS && ndpath > 0) {
pen->setColor(Qt::green);
p->setPen(*pen);
brush->setColor(Qt::green);
brush->setStyle(Qt::NoBrush);
p->setBrush(*brush);
for (n=1; n<ndpath; n++) {
x1 = ZFact*dpath(n,1) - xPan - (ZFact-1)*xyzCen(1);
y1 = ZFact*dpath(n,2) - yPan - (ZFact-1)*xyzCen(2);
x2 = ZFact*dpath(n+1,1) - xPan - (ZFact-1)*xyzCen(1);
y2 = ZFact*dpath(n+1,2) - yPan - (ZFact-1)*xyzCen(2);
DrawLine(p, x1, y1, x2, y2);
if (n==1) {
xyWorldToScreen(x1, y1, xs, ys);
xs -= 2;
ys -= 2;
p->drawEllipse(xs, ys, 4, 4);
}
xyWorldToScreen(x2, y2, xs, ys);
xs -= 2;
ys -= 2;
p->drawEllipse(xs, ys, 4, 4);
}
}
}