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[Jmol-commits] CVS: Jmol/src/org/openscience/jmol/render ArrowLineShape.java,NONE,1.1 JmolFrame.java,1.1,1.2 LineShape.java,1.21,1.22
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From: Michael T H. <mic...@us...> - 2003-08-02 00:38:18
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Update of /cvsroot/jmol/Jmol/src/org/openscience/jmol/render
In directory sc8-pr-cvs1:/tmp/cvs-serv17114/src/org/openscience/jmol/render
Modified Files:
JmolFrame.java LineShape.java
Added Files:
ArrowLineShape.java
Log Message:
added arrowlineshape, fixed bug with sphere of size 0, vector work
--- NEW FILE: ArrowLineShape.java ---
/* $RCSfile: ArrowLineShape.java,v $
* $Author: michaelthoward $
* $Date: 2003/08/02 00:38:15 $
* $Revision: 1.1 $
*
* Copyright (C) 2003 The Jmol Development Team
*
* Contact: jmo...@li...
*
* This library is free software; you can redistribute it and/or
* modify it under the terms of the GNU Lesser General Public
* License as published by the Free Software Foundation; either
* version 2.1 of the License, or (at your option) any later version.
*
* This library is distributed in the hope that it will be useful,
* but WITHOUT ANY WARRANTY; without even the implied warranty of
* MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
* Lesser General Public License for more details.
*
* You should have received a copy of the GNU Lesser General Public
* License along with this library; if not, write to the Free Software
* Foundation, Inc., 59 Temple Place, Suite 330, Boston, MA
* 02111-1307 USA.
*/
package org.openscience.jmol.render;
import org.openscience.jmol.g25d.Graphics25D;
import org.openscience.jmol.DisplayControl;
import java.awt.Rectangle;
import javax.vecmath.Point3d;
import javax.vecmath.Point3i;
public class ArrowLineShape extends LineShape {
double headWidthAngstroms;
int[] ax = new int[4];
int[] ay = new int[4];
int[] az = new int[4];
final static int widthDivisor = 8;
final static int shaftDivisor = 5;
final static int finDivisor = 6;
public ArrowLineShape(Point3d pointOrigin, Point3d pointVector) {
super(pointOrigin, pointVector);
headWidthAngstroms = pointOrigin.distance(this.pointEnd) / widthDivisor;
}
public void render(Graphics25D g25d, DisplayControl control) {
short colixVector = control.getColixVector();
g25d.drawLine(colixVector, x, y, z, xEnd, yEnd, zEnd);
int dx = xEnd - x, xHead = xEnd - (dx / shaftDivisor);
int dy = yEnd - y, yHead = yEnd - (dy / shaftDivisor);
int mag2d = (int)(Math.sqrt(dx*dx + dy*dy) + 0.5);
int dz = zEnd - z, zHead = zEnd - (dz / shaftDivisor);
int headWidthPixels =
(int)(control.scaleToScreen(zHead, headWidthAngstroms) + 0.5);
ax[0] = xEnd; ax[2] = xEnd - dx/finDivisor;
ay[0] = yEnd; ay[2] = yEnd - dy/finDivisor;
az[0] = zEnd; az[2] = zEnd - dz/finDivisor;
int dxHead, dyHead;
if (mag2d == 0) {
dxHead = 0;
dyHead = headWidthPixels;
} else {
dxHead = headWidthPixels * -dy / mag2d;
dyHead = headWidthPixels * dx / mag2d;
}
ax[1] = xHead - dxHead/2; ax[3] = ax[1] + dxHead;
ay[1] = yHead - dyHead/2; ay[3] = ay[1] + dyHead;
az[1] = zHead; az[3] = zHead;
g25d.fillPolygon4(colixVector, ax, ay, az);
}
}
Index: JmolFrame.java
===================================================================
RCS file: /cvsroot/jmol/Jmol/src/org/openscience/jmol/render/JmolFrame.java,v
retrieving revision 1.1
retrieving revision 1.2
diff -u -r1.1 -r1.2
--- JmolFrame.java 1 Aug 2003 01:13:15 -0000 1.1
+++ JmolFrame.java 2 Aug 2003 00:38:15 -0000 1.2
@@ -36,6 +36,7 @@
public class JmolFrame {
DisplayControl control;
+ Shape[] shapes;
public JmolFrame(DisplayControl control) {
this.control = control;
@@ -101,9 +102,6 @@
private Point3d centerRotation;
private double radiusBoundingBox;
private double radiusRotation;
- private double minAtomVectorMagnitude;
- private double maxAtomVectorMagnitude;
- private double atomVectorRange;
public double getGeometricRadius() {
findBounds();
@@ -140,25 +138,9 @@
}
}
- public double getMinAtomVectorMagnitude() {
- findBounds();
- return minAtomVectorMagnitude;
- }
-
- public double getMaxAtomVectorMagnitude() {
- findBounds();
- return maxAtomVectorMagnitude;
- }
-
- public double getAtomVectorRange() {
- findBounds();
- return maxAtomVectorMagnitude - minAtomVectorMagnitude;
- }
-
public void clearBounds() {
centerBoundingBox = centerRotation = null;
- radiusBoundingBox = radiusRotation =
- minAtomVectorMagnitude = maxAtomVectorMagnitude = atomVectorRange = 0f;
+ radiusBoundingBox = radiusRotation = 0;
}
private void findBounds() {
@@ -166,30 +148,9 @@
return;
calcBoundingBox();
centerRotation = centerBoundingBox;
- calculateAtomVectorMagnitudeRange();
radiusBoundingBox = radiusRotation = calcRadius(centerBoundingBox);
}
- void calculateAtomVectorMagnitudeRange() {
- /*
- minAtomVectorMagnitude = maxAtomVectorMagnitude = -1;
- for (int i = 0; i < atomShapeCount; ++i) {
- AtomShape atom = atomShapes[i];
- if (!atom.hasVector())
- continue;
- double magnitude=atom.getVectorMagnitude();
- if (magnitude > maxAtomVectorMagnitude) {
- maxAtomVectorMagnitude = magnitude;
- }
- if ((magnitude < minAtomVectorMagnitude) ||
- (minAtomVectorMagnitude == -1)) {
- minAtomVectorMagnitude = magnitude;
- }
- }
- atomVectorRange = maxAtomVectorMagnitude - minAtomVectorMagnitude;
- */
- }
-
private void calcBoundingBox() {
/**
* Note that this method is overridden by CrystalFrame
@@ -198,23 +159,26 @@
// as stored in the file
// Note that this is not really the geometric center of the molecule
// ... for this we would need to do a Minimal Enclosing Sphere calculation
- Point3d position = atomShapes[0].getPoint3d();
- double minX = position.x, maxX = minX;
- double minY = position.y, maxY = minY;
- double minZ = position.z, maxZ = minZ;
-
- for (int i = 1; i < atomShapeCount; ++i) {
- position = atomShapes[i].getPoint3d();
- double x = position.x;
- if (x < minX) { minX = x; }
- if (x > maxX) { maxX = x; }
- double y = position.y;
- if (y < minY) { minY = y; }
- if (y > maxY) { maxY = y; }
- double z = position.z;
- if (z < minZ) { minZ = z; }
- if (z > maxZ) { maxZ = z; }
+ Point3d point = atomShapes[0].getPoint3d();
+ double minX, minY, minZ, maxX, maxY, maxZ;
+ minX = maxX = point.x;
+ minY = maxY = point.y;
+ minZ = maxZ = point.z;
+
+ for (int i = atomShapeCount; --i > 0; ) { // note that the 0 element was set above
+ point = atomShapes[i].getPoint3d();
+ double t;
+ t = point.x;
+ if (t < minX) { minX = t; }
+ else if (t > maxX) { maxX = t; }
+ t = point.y;
+ if (t < minY) { minY = t; }
+ else if (t > maxY) { maxY = t; }
+ t = point.z;
+ if (t < minZ) { minZ = t; }
+ else if (t > maxZ) { maxZ = t; }
}
+
centerBoundingBox = new Point3d((minX + maxX) / 2,
(minY + maxY) / 2,
(minZ + maxZ) / 2);
@@ -261,6 +225,16 @@
}
*/
}
+ for (int i = lineShapeCount; --i >= 0; ) {
+ LineShape ls = lineShapes[i];
+ double distLineEnd;
+ distLineEnd = center.distance(ls.getPoint1());
+ if (distLineEnd > radius)
+ radius = distLineEnd;
+ distLineEnd = center.distance(ls.getPoint2());
+ if (distLineEnd > radius)
+ radius = distLineEnd;
+ }
return radius;
}
@@ -269,7 +243,7 @@
return;
if (shapes == null || control.hasStructuralChange()) {
AtomShape[] atomShapes = this.atomShapes;
- Shape[] vectorShapes = this.vectorShapes;
+ LineShape[] lineShapes = this.lineShapes;
Shape[] axisShapes = null;
int axisShapeCount = 0;
Shape[] bboxShapes = null;
@@ -283,16 +257,16 @@
bboxShapeCount = bboxShapes.length;
}
int shapeCount =
- atomShapeCount + vectorShapeCount + axisShapeCount + bboxShapeCount;
+ atomShapeCount + lineShapeCount + axisShapeCount + bboxShapeCount;
shapes = new Shape[shapeCount];
int i = 0;
System.arraycopy(atomShapes, 0, shapes, i, atomShapeCount);
i += atomShapeCount;
- if (vectorShapes != null) {
- System.arraycopy(vectorShapes, 0, shapes, i, vectorShapeCount);
- i += vectorShapeCount;
+ if (lineShapes != null) {
+ System.arraycopy(lineShapes, 0, shapes, i, lineShapeCount);
+ i += lineShapeCount;
}
if (axisShapes != null) {
System.arraycopy(axisShapes, 0, shapes, i, axisShapeCount);
@@ -364,21 +338,18 @@
control.measureRenderer.render(g25d, control);
}
- private Shape[] shapes = null;
-
-
- private final static int vectorGrowthIncrement = 16;
- private int vectorShapeCount = 0;
- private Shape[] vectorShapes = null;
-
- public void addVectorShape(Shape shape) {
- if (vectorShapes == null || vectorShapeCount == vectorShapes.length) {
- Shape[] newShapes = new Shape[vectorShapeCount + vectorGrowthIncrement];
- if (vectorShapes != null)
- System.arraycopy(vectorShapes, 0, newShapes, 0, vectorShapeCount);
- vectorShapes = newShapes;
+ final static int lineGrowthIncrement = 16;
+ private int lineShapeCount = 0;
+ private LineShape[] lineShapes = null;
+
+ public void addLineShape(LineShape shape) {
+ if (lineShapes == null || lineShapeCount == lineShapes.length) {
+ LineShape[] newShapes = new LineShape[lineShapeCount + lineGrowthIncrement];
+ if (lineShapes != null)
+ System.arraycopy(lineShapes, 0, newShapes, 0, lineShapeCount);
+ lineShapes = newShapes;
}
- vectorShapes[vectorShapeCount++] = shape;
+ lineShapes[lineShapeCount++] = shape;
}
/****************************************************************
Index: LineShape.java
===================================================================
RCS file: /cvsroot/jmol/Jmol/src/org/openscience/jmol/render/LineShape.java,v
retrieving revision 1.21
retrieving revision 1.22
diff -u -r1.21 -r1.22
--- LineShape.java 1 Aug 2003 18:51:32 -0000 1.21
+++ LineShape.java 2 Aug 2003 00:38:15 -0000 1.22
@@ -43,6 +43,14 @@
this.pointEnd = pointEnd;
}
+ public Point3d getPoint1() {
+ return pointOrigin;
+ }
+
+ public Point3d getPoint2() {
+ return pointEnd;
+ }
+
public String toString() {
return "Primitive line shape";
}
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