Revision: 20583
http://sourceforge.net/p/jmol/code/20583
Author: hansonr
Date: 2015-06-17 00:42:50 +0000 (Wed, 17 Jun 2015)
Log Message:
-----------
Jmol.___JmolVersion="14.3.15_2015.06.16b"
bug fix: ++x and x++ do not increment properly when in expressions
// no problem here because it is compiled as "x = x + 1"
x = 0
x++
print "x should be 1 " + x
// x does not increment, but the test passes
x = 0
if (++x) {
print "good"
}
print "x should be 1 " + x
// x does not increment, but the test passes ("bad" is not printed)
x = 0
if (x++) {
print "bad"
}
print "x should be 1 " + x
x = 0
// works
x++
// y is OK, but x does not increment
y = x++
print "x should be 2 " + x
x = 0
// z is OK, but x does not increment
z = ++x
print "x should be 1 " + x
// result:
x should be 1 1
good
x should be 1 0
x should be 1 0
x should be 2 1
x should be 1 0
Modified Paths:
--------------
trunk/Jmol/src/org/jmol/adapter/readers/aflow/AFLOWReader.java
trunk/Jmol/src/org/jmol/script/SV.java
trunk/Jmol/src/org/jmol/script/ScriptMathProcessor.java
trunk/Jmol/src/org/jmol/shapespecial/Polyhedra.java
trunk/Jmol/src/org/jmol/shapespecial/Polyhedron.java
trunk/Jmol/src/org/jmol/viewer/Jmol.properties
Modified: trunk/Jmol/src/org/jmol/adapter/readers/aflow/AFLOWReader.java
===================================================================
--- trunk/Jmol/src/org/jmol/adapter/readers/aflow/AFLOWReader.java
2015-06-16 22:16:37 UTC (rev 20582)
+++ trunk/Jmol/src/org/jmol/adapter/readers/aflow/AFLOWReader.java
2015-06-17 00:42:50 UTC (rev 20583)
@@ -113,7 +113,7 @@
protected void initializeReader() throws Exception {
readPRE = checkFilterKey("PRE");
// readPOST = !checkFilterKey("NOPOST");
- forcePacked = !checkFilterKey("NOPACK");
+// forcePacked = !checkFilterKey("NOPACK");
String s;
Modified: trunk/Jmol/src/org/jmol/script/SV.java
===================================================================
--- trunk/Jmol/src/org/jmol/script/SV.java 2015-06-16 22:16:37 UTC (rev
20582)
+++ trunk/Jmol/src/org/jmol/script/SV.java 2015-06-17 00:42:50 UTC (rev
20583)
@@ -70,10 +70,9 @@
public int index = Integer.MAX_VALUE;
- private final static int FLAG_CANINCREMENT = 1;
private final static int FLAG_MODIFIED = 2;
- private int flags = ~FLAG_CANINCREMENT & FLAG_MODIFIED;
+ private int flags = FLAG_MODIFIED;
public String myName;
public static SV newV(int tok, Object value) {
@@ -405,7 +404,6 @@
public SV setName(String name) {
this.myName = name;
- flags |= FLAG_CANINCREMENT;
//System.out.println("Variable: " + name + " " + intValue + " " + value);
return this;
}
@@ -422,23 +420,26 @@
}
boolean canIncrement() {
- return true;//tokAttr(flags, FLAG_CANINCREMENT);
+ switch (tok) {
+ case integer:
+ case decimal:
+ return true;//tokAttr(flags, FLAG_CANINCREMENT);
+ default:
+ return false;
+ }
}
boolean increment(int n) {
- if (!canIncrement())
- return false;
switch (tok) {
case integer:
intValue += n;
- break;
+ return true;
case decimal:
value = Float.valueOf(((Float) value).floatValue() + n);
- break;
+ return true;
default:
return false;
}
- return true;
}
public boolean asBoolean() {
Modified: trunk/Jmol/src/org/jmol/script/ScriptMathProcessor.java
===================================================================
--- trunk/Jmol/src/org/jmol/script/ScriptMathProcessor.java 2015-06-16
22:16:37 UTC (rev 20582)
+++ trunk/Jmol/src/org/jmol/script/ScriptMathProcessor.java 2015-06-17
00:42:50 UTC (rev 20583)
@@ -881,7 +881,20 @@
&& oStack[oPt] == null))
return true;
- SV x2 = getX();
+ SV x2;
+ switch (op.tok) {
+ case T.minusMinus:
+ case T.plusPlus:
+ if (xPt >= 0 && xStack[xPt].canIncrement()) {
+ x2 = xStack[xPt--];
+ wasX = false;
+ break;
+ }
+ //$FALL-THROUGH$
+ default:
+ x2 = getX();
+ break;
+ }
if (x2 == T.tokenArrayOpen)
return false;
@@ -892,6 +905,7 @@
switch (op.tok) {
case T.minusMinus:
case T.plusPlus:
+ // we are looking out for an array selection here
x1 = x2;
if (!chk) {
//System.out.println("ptx="+ ptx + " " + pto);
Modified: trunk/Jmol/src/org/jmol/shapespecial/Polyhedra.java
===================================================================
--- trunk/Jmol/src/org/jmol/shapespecial/Polyhedra.java 2015-06-16 22:16:37 UTC
(rev 20582)
+++ trunk/Jmol/src/org/jmol/shapespecial/Polyhedra.java 2015-06-17 00:42:50 UTC
(rev 20583)
@@ -509,10 +509,11 @@
int nother1 = iCenter - 1;
int nother2 = iCenter - 2;
+ boolean isComplex = (nother1 > 6);
// for many-vertex polygons we reduce the distance allowed to avoid
through-polyhedron faces
float factor = (!Float.isNaN(distanceFactor) ? distanceFactor
- : nother1 <= 6 ? DEFAULT_DISTANCE_FACTOR
- : DEFAULT_MANY_VERTEX_DISTANCE_FACTOR);
+ //: isComplex ? DEFAULT_MANY_VERTEX_DISTANCE_FACTOR
+ : DEFAULT_DISTANCE_FACTOR);
BS bs = BS.newN(iCenter);
boolean isOK = (dAverage == 0);
@@ -543,7 +544,7 @@
if (Logger.debugging) {
Logger.debug("Polyhedra distanceFactor for " + iCenter
+ " atoms increased to " + factor + " in order to include "
- + ((Atom) otherAtoms[i]).getInfo());
+ + otherAtoms[i] );
}
break;
}
@@ -592,7 +593,7 @@
BS bsTemp = Normix.newVertexBitSet();
short[] n = normixesT;
Map<Integer,String> htNormMap = new Hashtable<Integer, String>();
- boolean doCheckPlane = (nother1 > 5);
+ boolean doCheckPlane = isComplex;
for (int i = 0; i < nother2; i++)
for (int j = i + 1; j < nother1; j++) {
if (points[i].distance(points[j]) > distMax)
@@ -678,6 +679,7 @@
}
}
nPoints--;
+
if (Logger.debugging) {
Logger
.info("Polyhedron planeCount=" + planeCount + " nPoints=" + nPoints);
@@ -728,7 +730,28 @@
private boolean checkPlane(P3[] points, int ptCenter, int[][] planes,
short[] normals, int index, P4 plane, V3 vNorm,
Map<Integer, String> htNormMap) {
+
int[] p1 = planes[index];
+
+
+ // Check here for a 3D convex hull:
+ plane = Measure.getPlaneThroughPoints(points[p1[0]], points[p1[1]],
+ points[p1[2]], vNorm, vAB, plane);
+// P3 ptest = P3.newP(points[p1[0]]);
+// ptest.add(points[p1[1]]);
+// ptest.add(points[p1[2]]);
+// ptest.scale(1/3f);
+// System.out.println("$draw ID p" + index +" vector " + ptest + vNorm);
+
+ // See if all vertices are OUTSIDE the the plane we are considering.
+ for (int j = 0; j < ptCenter; j++) {
+ vAB.sub2(points[p1[0]], points[j]);
+ if (vAB.dot(vNorm) < -0.1) {
+ //System.out.println("$draw ID p" + index + "_" + j + points[j]);
+ return false;
+ }
+ }
+
Integer normix = Integer.valueOf(normals[index]);
String list = htNormMap.get(normix);
if (list == null) {
@@ -783,9 +806,8 @@
}
htNormMap.put(normix, list + match);
}
- plane = Measure.getPlaneThroughPoints(points[p1[0]], points[p1[1]],
- points[p1[2]], vNorm, vAB, plane);
- float d = Measure.distanceToPlane(plane, points[ptCenter]);
+
+ //float d = Measure.distanceToPlane(plane, points[ptCenter]);
//System.out.println("" + normix + " " +
Normix.getVertexVectors()[normix] + " " + getKey(p1, index) + " " + d);
return true;
}
@@ -833,7 +855,7 @@
@Override
public void setModelVisibilityFlags(BS bsModels) {
- /*
+ /*
* set all fixed objects visible; others based on model being displayed
note
* that this is NOT done with atoms and bonds, because they have mads. When
* you say "frame 0" it is just turning on all the mads.
Modified: trunk/Jmol/src/org/jmol/shapespecial/Polyhedron.java
===================================================================
--- trunk/Jmol/src/org/jmol/shapespecial/Polyhedron.java 2015-06-16
22:16:37 UTC (rev 20582)
+++ trunk/Jmol/src/org/jmol/shapespecial/Polyhedron.java 2015-06-17
00:42:50 UTC (rev 20583)
@@ -34,9 +34,11 @@
Map<String, Object> getInfo() {
Map<String, Object> info = new Hashtable<String, Object>();
info.put("vertexCount", Integer.valueOf(nVertices));
+ info.put("modelNumber", Integer.valueOf(centralAtom.getModelNumber()));
info.put("modelIndex", Integer.valueOf(centralAtom.mi));
info.put("planeCount", Integer.valueOf(planes.length));
- info.put("_ipt", Integer.valueOf(centralAtom.i));
+ info.put("centerAtomIndex", Integer.valueOf(centralAtom.i));
+ info.put("centerAtomNumber", Integer.valueOf(centralAtom.getAtomNumber()));
info.put("center", P3.newP(centralAtom));
info.put("vertices", AU.arrayCopyPt(points, nVertices));
info.put("polygons", AU.arrayCopyII(planes, planes.length));
Modified: trunk/Jmol/src/org/jmol/viewer/Jmol.properties
===================================================================
--- trunk/Jmol/src/org/jmol/viewer/Jmol.properties 2015-06-16 22:16:37 UTC
(rev 20582)
+++ trunk/Jmol/src/org/jmol/viewer/Jmol.properties 2015-06-17 00:42:50 UTC
(rev 20583)
@@ -14,7 +14,48 @@
TODO: remove HTML5 dependency on synchronous file loading (check SCRIPT
command for problems)
-Jmol.___JmolVersion="14.3.15_2015.06.16"
+Jmol.___JmolVersion="14.3.15_2015.06.16b"
+
+bug fix: ++x and x++ do not increment properly when in expressions
+ // no problem here because it is compiled as "x = x + 1"
+ x = 0
+ x++
+ print "x should be 1 " + x
+
+ // x does not increment, but the test passes
+ x = 0
+ if (++x) {
+ print "good"
+ }
+ print "x should be 1 " + x
+
+ // x does not increment, but the test passes ("bad" is not printed)
+ x = 0
+ if (x++) {
+ print "bad"
+ }
+ print "x should be 1 " + x
+ x = 0
+ // works
+ x++
+ // y is OK, but x does not increment
+ y = x++
+ print "x should be 2 " + x
+ x = 0
+ // z is OK, but x does not increment
+ z = ++x
+ print "x should be 1 " + x
+
+ // result:
+
+ x should be 1 1
+ good
+ x should be 1 0
+ x should be 1 0
+ x should be 2 1
+ x should be 1 0
+
+JmolVersion="14.3.15_2015.06.16"
bug fix: msCIF reader failing for Legendre polynomials of order greater than 4
-- JavaScript fix for new double[m + 1][]
-- must use AU.newDouble2(m + 1);
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