Revision: 20124
http://sourceforge.net/p/jmol/code/20124
Author: hansonr
Date: 2014-11-25 03:49:48 +0000 (Tue, 25 Nov 2014)
Log Message:
-----------
Jmol.___JmolVersion="14.3.9_2014.11.24"
bug fix: CASTEP DENSITY surface file reader does not do downsampling
Modified Paths:
--------------
trunk/Jmol/src/org/jmol/jvxl/readers/CastepDensityReader.java
trunk/Jmol/src/org/jmol/viewer/Jmol.properties
Modified: trunk/Jmol/src/org/jmol/jvxl/readers/CastepDensityReader.java
===================================================================
--- trunk/Jmol/src/org/jmol/jvxl/readers/CastepDensityReader.java
2014-11-25 02:53:08 UTC (rev 20123)
+++ trunk/Jmol/src/org/jmol/jvxl/readers/CastepDensityReader.java
2014-11-25 03:49:48 UTC (rev 20124)
@@ -38,7 +38,7 @@
@Override
void init2(SurfaceGenerator sg, BufferedReader br) {
init2VFR(sg, br);
- canDownsample = isProgressive = false;
+ isProgressive = false;
isAngstroms = true;
}
@@ -95,7 +95,20 @@
@Override
protected void getPeriodicVoxels() throws Exception {
- // no downsampling (yet), because CASTEP writes x, y, z info.
+ int dsf = downsampleFactor;
+ if (dsf > 1) {
+ for (int i = 0; i < nFilePoints; i++) {
+ int x = parseIntStr(line) - 1;
+ int y = parseInt() - 1;
+ int z = parseInt() - 1;
+ if (x % dsf == 0 && y % dsf == 0 && z % dsf == 0) {
+ if (nSkip > 0)
+ skipPoints(nSkip);
+ voxelData[x / dsf][y / dsf][z / dsf] = recordData(parseFloat());
+ }
+ rd();
+ }
+ } else {
for (int i = 0; i < nFilePoints; i++) {
int x = parseIntStr(line) - 1;
int y = parseInt() - 1;
@@ -105,6 +118,7 @@
voxelData[x][y][z] = recordData(parseFloat());
rd();
}
+ }
}
Modified: trunk/Jmol/src/org/jmol/viewer/Jmol.properties
===================================================================
--- trunk/Jmol/src/org/jmol/viewer/Jmol.properties 2014-11-25 02:53:08 UTC
(rev 20123)
+++ trunk/Jmol/src/org/jmol/viewer/Jmol.properties 2014-11-25 03:49:48 UTC
(rev 20124)
@@ -17,6 +17,8 @@
Jmol.___JmolVersion="14.3.9_2014.11.24"
+bug fix: CASTEP DENSITY surface file reader does not do downsampling
+
new feature: isosurface "==1blu" -- difference map; defaults to sigma=3
JmolVersion="14.3.9_2014.11.23"
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