protected boolean gotAllPoints() {
if (Double.isNaN(currentCoords.getX())) return false;
if (Double.isNaN(currentCoords.getY())) return false;
if (Double.isNaN(currentCoords.getZ())) return false;
return true;
}
// generic method for calculation of distance btw 2 atoms
private double calculateDistanceBetweenTwoAtoms(IAtom atom1, IAtom atom2) {
double distance;
Point3d firstPoint = atom1.getPoint3d();
Point3d secondPoint = atom2.getPoint3d();
distance = firstPoint.distance(secondPoint);
return distance;
}
/*
* Bottom up hierarchical clustering
*/
private static HashSet<Cluster> findClusters(Collection<Point3d> points, double threshold) {
HashSet<Cluster> clusters = new HashSet<>(points.size() * 2);
for (Point3d p : points) {
Cluster candidate = new Cluster();
candidate.add(p);
for (Point3d p2 : points) {
if (p != p2 && p.distance(p2) <= threshold) {
candidate.add(p2);
}
}
Iterator<Cluster> iter = clusters.iterator();
while (iter.hasNext()) {
Cluster c = iter.next();
for (Point3d p2 : candidate) {
if (c.contains(p2)) { // Se os clusters C e candidate se intersectam, fundi-los
candidate.addAll(c);
iter.remove();
break;
}
}
}
clusters.add(candidate);
}
return clusters;
}
/**
* Calculates the min and max boundaries of the structure after it has been transformed into its
* canonical orientation.
*/
private void calcBoundaries() {
minBoundary.x = Double.MAX_VALUE;
maxBoundary.x = Double.MIN_VALUE;
minBoundary.y = Double.MAX_VALUE;
maxBoundary.x = Double.MIN_VALUE;
minBoundary.z = Double.MAX_VALUE;
maxBoundary.z = Double.MIN_VALUE;
xzRadiusMax = Double.MIN_VALUE;
Point3d probe = new Point3d();
for (Point3d[] list : subunits.getTraces()) {
for (Point3d p : list) {
probe.set(p);
transformationMatrix.transform(probe);
minBoundary.x = Math.min(minBoundary.x, probe.x);
maxBoundary.x = Math.max(maxBoundary.x, probe.x);
minBoundary.y = Math.min(minBoundary.y, probe.y);
maxBoundary.y = Math.max(maxBoundary.y, probe.y);
minBoundary.z = Math.min(minBoundary.z, probe.z);
maxBoundary.z = Math.max(maxBoundary.z, probe.z);
xzRadiusMax = Math.max(xzRadiusMax, Math.sqrt(probe.x * probe.x + probe.z * probe.z));
}
}
// System.out.println("MinBoundary: " + minBoundary);
// System.out.println("MaxBoundary: " + maxBoundary);
// System.out.println("zxRadius: " + xzRadiusMax);
}
private int findPointOfMinMov(int start_, int end_, int fileIndex) {
// logger.debug("Anfang: " + start_+ " Ende: " + end_);
int start = start_;
// double sum = Math.pow(rawData.get(fileIndex).getDimension(0)[start],2) +
// Math.pow(rawData.get(fileIndex).getDimension(1)[start],2) +
// Math.pow(rawData.get(fileIndex).getDimension(2)[start],2);
// sum = Math.sqrt(sum);
Point3d from =
new Point3d(
rawData.get(fileIndex).getDimension(0)[start],
rawData.get(fileIndex).getDimension(1)[start],
rawData.get(fileIndex).getDimension(2)[start]);
int minMovIndex = start;
while (start != end_) { // mean of difference of acceleration to fixed point
Point3d tempPoint =
new Point3d(
rawData.get(fileIndex).getDimension(0)[start],
rawData.get(fileIndex).getDimension(1)[start],
rawData.get(fileIndex).getDimension(2)[start]);
// tempSum = Math.sqrt(tempSum);
// if ((sum - tempSum > 0)){
// sum = tempSum;
if (from.distance(tempPoint) < 0.2) {
minMovIndex = start;
// logger.debug("summe: " +minMovIndex);
}
start++;
}
return minMovIndex;
}
public Point3d calcCenterOfRotation() {
List<Integer> line = getLongestLayerLine();
// can't determine center of rotation if there are only 2 points
// TODO does this ever happen??
if (line.size() < 3) {
return subunits.getCentroid();
}
Point3d centerOfRotation = new Point3d();
List<Point3d> centers = subunits.getOriginalCenters();
// calculate helix mid points for each set of 3 adjacent subunits
for (int i = 0; i < line.size() - 2; i++) {
Point3d p1 = new Point3d(centers.get(line.get(i)));
Point3d p2 = new Point3d(centers.get(line.get(i + 1)));
Point3d p3 = new Point3d(centers.get(line.get(i + 2)));
transformationMatrix.transform(p1);
transformationMatrix.transform(p2);
transformationMatrix.transform(p3);
centerOfRotation.add(getMidPoint(p1, p2, p3));
}
// average over all midpoints to find best center of rotation
centerOfRotation.scale(1 / (line.size() - 2));
// since helix is aligned along the y-axis, with an origin at y = 0, place the center of
// rotation there
centerOfRotation.y = 0;
// transform center of rotation to the original coordinate frame
reverseTransformationMatrix.transform(centerOfRotation);
// System.out.println("center of rotation: " + centerOfRotation);
return centerOfRotation;
}
public void closestIntersectionAndNormalAt(
double x, double y, double z, Point3d intersection, Vector3d normal) {
intersection.setX(x); // Go Straight Up for now...
intersection.setY(y);
intersection.setZ(heightAt(x, y, z));
surfaceNormalAt(x, y, z, normal);
}
// This method is called whenever the "Reset Camera" action is triggered. This should reset the
// camera transform
// to it's initial state.
public void resetCamera() {
// Point3d from = new Point3d(0., 0., 14.);
Point3d from = new Point3d(0., 0., 18.);
Point3d to = new Point3d(0., 0., 0.);
Vector3d up = new Vector3d(0., 1., 0.);
from.scale(0.05);
to.scale(0.05);
setLookAt(from, to, up);
}
public void applyTransform(RigidBodyTransform transform, boolean requireTransformInXYPlane) {
temporaryTransformedPoint.set(this.getX(), this.getY(), 0.0);
transform.transform(temporaryTransformedPoint);
if (requireTransformInXYPlane)
checkIsTransformationInPlane(transform, temporaryTransformedPoint);
this.set(temporaryTransformedPoint.getX(), temporaryTransformedPoint.getY());
}
private void createArea() throws IOException {
while (readThisLine() != null) {
if (gotAllPoints() && currentCoords.getZ() < 0) {
area.add(new Point2D.Double(currentCoords.getX(), currentCoords.getY()));
}
}
gCodeFile.close();
gCodeFile = new BufferedReader(new FileReader(rawFile));
currentCoords = new Point3d(Double.NaN, Double.NaN, Double.NaN);
}
// method which calculated distance btw an atom and the middle point of a bond
// and returns distance and coordinates of middle point
private double[] calculateDistanceBetweenAtomAndBond(IAtom proton, IBond theBond) {
Point3d middlePoint = theBond.get3DCenter();
Point3d protonPoint = proton.getPoint3d();
double[] values = new double[4];
values[0] = middlePoint.distance(protonPoint);
values[1] = middlePoint.x;
values[2] = middlePoint.y;
values[3] = middlePoint.z;
return values;
}
public boolean checkIfInside(
double x, double y, double z, Point3d intersectionToPack, Vector3d normalToPack) {
intersectionToPack.setX(x); // Go Straight Up for now...
intersectionToPack.setY(y);
intersectionToPack.setZ(heightAt(x, y, z));
surfaceNormalAt(x, y, z, normalToPack);
return (z < intersectionToPack.getZ());
}
private void populate() {
// set up for a new population
Vector oldPop = this.positions;
this.positions = new Vector(50, 50);
// first browse the old population and make changes
for (int i = 0; i < oldPop.size(); i++) {
Position a = (Position) oldPop.get(i);
if (a.symPosNo < this.symPos.length) {
Point3d sPos = this.symPos[a.symPosNo];
if (sPos != null) {
Point3d newPos = new Point3d(sPos);
newPos.add(a.expandTranslation);
if (this.isPosInBounds(newPos)
&& Model3d.this.getAtomHere(this.positions, newPos) == null) {
a.changePos(newPos);
this.positions.add(a);
// System.out.println("move "+a);
continue;
}
}
}
// invalid, duplicate or out of bounds, remove
// System.out.println("del "+a);
a.del();
}
// now add potentially new appeared atoms
for (double i = -Math.ceil(Model3d.this.exm - 1);
i <= Math.floor(Model3d.this.exp + 1) + 1;
i++)
for (double j = -Math.ceil(Model3d.this.eym - 1);
j <= Math.floor(Model3d.this.eyp + 1) + 1;
j++)
for (double k = -Math.ceil(Model3d.this.ezm - 1);
k <= Math.floor(Model3d.this.ezp + 1) + 1;
k++) {
Vector3d v = new Vector3d(i, j, k);
for (int l = 0; l < this.symPos.length; l++) {
if (this.symPos[l] == null) continue;
Point3d p = new Point3d(this.symPos[l]);
p.add(v);
// TODO
if (this.isPosInBounds(p) && Model3d.this.getAtomHere(this.positions, p) == null) {
// if (isPosInBounds(round(p)) &&
// getAtomHere(positions, p)==null) {
Position a =
new Position(this.root, this, p, v, this.radius, this.color, l, !this.hidden);
this.positions.add(a);
// if (!isPosInBounds(p))System.out.println("xx
// "+p);
}
}
}
}
public void getDollyPosition(Point3d dollyPositionToPack) {
if (dolly_x_var != null) {
dollyPositionToPack.setX(dolly_x_var.getDoubleValue());
}
if (dolly_y_var != null) {
dollyPositionToPack.setY(dolly_y_var.getDoubleValue());
}
if (dolly_z_var != null) {
dollyPositionToPack.setZ(dolly_z_var.getDoubleValue());
}
}
/**
* Tests if two positions are symmetrically equivalent under point group within a provided
* tolerance.
*
* @param a First comparison Point3d.
* @param b Second comparison Point3d
* @param tolerance Tolerance distance
* @return True if positions are equivalent, false otherwise.
*/
public boolean isSymmetricallyEquivalent(Point3d a, Point3d b, double tolerance) {
boolean isequivalent = false;
for (SymmetryOperation key : operations) {
Point3d testcoord = key.transformPoint(a);
if (testcoord.distance(b) < tolerance) {
isequivalent = true;
break;
}
}
return isequivalent;
}
public void getTrackingPosition(Point3d trackPositionToPack) {
if (track_x_var != null) {
trackPositionToPack.setX(track_x_var.getDoubleValue());
}
if (track_y_var != null) {
trackPositionToPack.setY(track_y_var.getDoubleValue());
}
if (track_z_var != null) {
trackPositionToPack.setZ(track_z_var.getDoubleValue());
}
}
public String toString() {
return "t="
+ timestamp
+ ", x="
+ point3d.getX()
+ ", y="
+ point3d.getY()
+ ", z="
+ point3d.getZ()
+ " State is "
+ this.pointState.name();
}
public boolean isValidList2Position(Vector3d position) {
for (int i = 0; i < pcList2.size(); i++) {
PointCharge pc = (PointCharge) pcList2.get(i);
Point3d pcPosition = new Point3d(pc.getPosition());
if (pcPosition.distance(new Point3d(position)) < pc_radius * 1.5) {
return false;
}
}
if (Math.abs(position.x - plate2_position.x) > plate_length / 2. - pc_radius) return false;
if (Math.abs(position.y - plate2_position.y) > plate_height / 2. - pc_radius) return false;
if (Math.abs(position.z - plate2_position.z) > plate_width / 2. - pc_radius) return false;
return true;
}
public Transform3D getTransform() {
Transform3D transform = new Transform3D();
Point3d target = new Point3d();
target.add(direction, position);
Point3d zoomedPosition = new Point3d();
zoomedPosition.scaleAdd(-zoom / direction.length(), direction, target);
transform.lookAt(zoomedPosition, target, up);
transform.invert();
return transform;
}
/**
* Finds the position value in the image series map that is closest to the POI. This partially
* populates an Image object but does NOT include the image id.
*
* @param imageSeries
* @param poi
* @return
* @throws IOException
*/
private void getClosestPosition(ImageSeries imageSeries, Point3d poi100, Image image)
throws IOException {
URL u = new URL(assembleAtlasMapURI(imageSeries.imageSeriesId));
LOG.debug("Atlas map URI: {}", u.toString());
BufferedReader in = new BufferedReader(new InputStreamReader(u.openStream()));
String line = null;
// discard first 2 lines
in.readLine();
in.readLine();
double leastDistance = Double.POSITIVE_INFINITY;
String[] bestLineSegs = null;
int count = 2;
while ((line = in.readLine()) != null) {
String[] lineSegs = line.split(",");
Point3d abaCoordinates =
new Point3d(
Double.parseDouble(lineSegs[0]),
Double.parseDouble(lineSegs[1]),
Double.parseDouble(lineSegs[2]));
LOG.debug("lineSegs X: {}", lineSegs[0]);
LOG.debug("lineSegs Y: {}", lineSegs[1]);
LOG.debug("lineSegs Z: {}", lineSegs[2]);
if (poi100.distanceSquared(abaCoordinates) < leastDistance) {
leastDistance = poi100.distanceSquared(abaCoordinates);
bestLineSegs = lineSegs;
}
// debug
if ((++count % 1000) == 0) {
System.out.printf("%d%n", count);
}
}
in.close();
image.imagesCheckedForProximity = count;
image.abaCoordinates =
new Point3d(
Double.parseDouble(bestLineSegs[0]),
Double.parseDouble(bestLineSegs[1]),
Double.parseDouble(bestLineSegs[2]));
image.abaXPixelPosition = Integer.parseInt(bestLineSegs[3]);
image.abaYPixelPosition = Integer.parseInt(bestLineSegs[4]);
image.abaImagePosition = bestLineSegs[5];
LOG.debug("Points examined: {}", count);
}
private double[] getSubunitZDepth() {
int n = subunits.getSubunitCount();
double[] depth = new double[n];
Point3d probe = new Point3d();
// transform subunit centers into z-aligned position and calculate
// z-coordinates (depth) along the z-axis.
for (int i = 0; i < n; i++) {
Point3d p = subunits.getCenters().get(i);
probe.set(p);
transformationMatrix.transform(probe);
depth[i] = probe.z;
}
return depth;
}
/**
* Rescales Point2 so that length 1-2 is sum of covalent radii. if covalent radii cannot be found,
* use bond length of 1.0
*
* @param atom1 stationary atom
* @param atom2 moveable atom
* @param point2 coordinates for atom 2
* @return new coords for atom 2
*/
public static Point3d rescaleBondLength(IAtom atom1, IAtom atom2, Point3d point2) {
Point3d point1 = atom1.getPoint3d();
double d1 = atom1.getCovalentRadius();
double d2 = atom2.getCovalentRadius();
// in case we have no covalent radii, set to 1.0
double distance =
(d1 < 0.1 || d2 < 0.1) ? 1.0 : atom1.getCovalentRadius() + atom2.getCovalentRadius();
Vector3d vect = new Vector3d(point2);
vect.sub(point1);
vect.normalize();
vect.scale(distance);
Point3d newPoint = new Point3d(point1);
newPoint.add(vect);
return newPoint;
}
@Override
public void selected(
Graphics3DNode graphics3dNode,
ModifierKeyInterface modifierKeyHolder,
Point3d location,
Point3d cameraLocation,
Quat4d cameraRotation) {
if (shouldAcceptDeviceInput()) {
if (modifierKeyHolder.isKeyPressed(Key.SHIFT)) {
if (!isTracking() || !isTrackingX()) setFixX(location.getX());
if (!isTracking() || !isTrackingY()) setFixY(location.getY());
if (!isTracking() || !isTrackingZ()) setFixZ(location.getZ());
}
}
}
@Override
void update() {
int newEditId;
if ((newEditId = volume.update()) != volumeEditId) {
for (int i = 0; i < 6; i++) {
boxLine[i].setCoordinates(0, volume.facePoints[i], 0, 4);
boxLine[i].setCoordinate(4, volume.facePoints[i][0]);
imageQuad[i].setCoordinates(0, volume.facePoints[i], 0, 4);
}
faceCenter[PLUS_X].set(volume.maxCoord.x, 0.0, 0.0);
faceCenter[PLUS_Y].set(0.0, volume.maxCoord.y, 0.0);
faceCenter[PLUS_Z].set(0.0, 0.0, volume.maxCoord.z);
faceCenter[MINUS_X].set(volume.minCoord.x, 0.0, 0.0);
faceCenter[MINUS_Y].set(0.0, volume.minCoord.y, 0.0);
faceCenter[MINUS_Z].set(0.0, 0.0, volume.minCoord.z);
volCenter.x = (volume.maxCoord.x + volume.minCoord.x) / 2;
volCenter.y = (volume.maxCoord.y + volume.minCoord.y) / 2;
volCenter.z = (volume.maxCoord.z + volume.minCoord.z) / 2;
volumeEditId = newEditId;
}
eyePtChanged();
for (int i = 0; i < 6; i++) {
if (boxAttr[i].getValue() == true) {
boxSwitch[i].setWhichChild(Switch.CHILD_ALL);
} else {
boxSwitch[i].setWhichChild(Switch.CHILD_NONE);
}
String curImageFile = imageAttr[i].getValue();
if (curImageFile != imageFile[i]) {
imageFile[i] = curImageFile;
if (imageFile[i].length() > 0) {
try {
URL imageURL = new URL(context.getCodeBase().toString() + imageFile[i]);
imageTexture[i] = new TextureLoader(imageURL, null).getTexture();
} catch (Exception e) {
System.err.println("Error " + e + " loading image:" + imageFile[i] + ".");
}
}
imageAppearance[i].setTexture(imageTexture[i]);
if (imageTexture[i] != null) {
imageSwitch[i].setWhichChild(Switch.CHILD_ALL);
} else {
imageSwitch[i].setWhichChild(Switch.CHILD_NONE);
}
}
}
}
private void checkIsTransformationInPlane(
RigidBodyTransform transformToNewFrame, Point3d transformedPoint) {
transformToNewFrame.getTranslation(temporaryTranslation);
if (Math.abs(temporaryTranslation.getZ() - transformedPoint.getZ()) > epsilon)
throw new RuntimeException(
"Cannot transform FramePoint2d to a plane with a different surface normal");
}
public Point3d getEye(Point3d eye) {
if (eye == null) eye = new Point3d();
if (globe != null) globe.getEllipsoid().toCartesian(lat, lon, hEllps, eye);
else eye.set(0, 0, 0);
return eye;
}
public void getPropertyComponents(List comps, final ObjectListener listener) {
visibleCbx = new JCheckBox(getName(), visible);
float[] rgb = color.get().getRGBComponents(null);
slider = new JSlider(0, 100, (int) (rgb[0] * 100));
float[] xyz = new float[3];
direction.get(xyz);
directionXFld = makeField("" + xyz[0], listener, "X Direction");
directionYFld = makeField("" + xyz[1], listener, "Y Direction");
directionZFld = makeField("" + xyz[2], listener, "Z Direction");
double[] pxyz = new double[3];
location.get(pxyz);
locationXFld = makeField("" + pxyz[0], listener, "");
locationYFld = makeField("" + pxyz[1], listener, "");
locationZFld = makeField("" + pxyz[2], listener, "");
List fldComps =
Misc.newList(GuiUtils.rLabel("Direction:"), directionXFld, directionYFld, directionZFld);
//
// fldComps.addAll(Misc.newList(GuiUtils.rLabel("Location:"),locationXFld,locationYFld,locationZFld));
comps.add(visibleCbx);
GuiUtils.tmpInsets = new Insets(0, 2, 0, 0);
comps.add(
GuiUtils.vbox(
slider, GuiUtils.left(GuiUtils.doLayout(fldComps, 4, GuiUtils.WT_N, GuiUtils.WT_N))));
if (listener != null) {
visibleCbx.addActionListener(listener);
slider.addChangeListener(listener);
}
}
void translate(final int xNew, final int yNew) {
if (content == null || content.isLocked()) return;
final int dx = xNew - xLast;
final int dy = yNew - yLast;
translateTG.getTransform(translateOld);
v1.scale(dx, translationPerDx);
v2.scale(-dy, translationPerDy);
translation.add(v1, v2);
translateNew.set(translation);
translateNew.mul(translateOld);
translateTG.setTransform(translateNew);
transformChanged(BehaviorCallback.TRANSLATE, translateNew);
xLast = xNew;
yLast = yNew;
}
public void updateStateFromString(String upperLine) {
lineNumber++;
// add all variables
// addVarsFromLine(upperLine);
// strip comments to avoid confusion when a comment exists at the end of
// a non-comment line
stripComments(upperLine);
// get machine states
recordState(upperLine);
double xValue = getDoubleFromChar(upperLine, 'X');
double yValue = getDoubleFromChar(upperLine, 'Y');
double zValue = getDoubleFromChar(upperLine, 'Z');
if (!Double.isNaN(xValue)) currentCoords.setX(xValue);
if (!Double.isNaN(yValue)) currentCoords.setY(yValue);
if (!Double.isNaN(zValue)) currentCoords.setZ(zValue);
}
public static void transformMesh(final TopLoc_Location loc, double[] src, float[] dst) {
double[] matrix = new double[16];
loc.transformation().getValues(matrix);
Matrix4d m4d = new Matrix4d(matrix);
Point3d p3d = new Point3d();
for (int i = 0; i < src.length; i += 3) {
p3d.x = src[i + 0];
p3d.y = src[i + 1];
p3d.z = src[i + 2];
m4d.transform(p3d);
dst[i + 0] = (float) p3d.x;
dst[i + 1] = (float) p3d.y;
dst[i + 2] = (float) p3d.z;
}
}
