From: <ha...@us...> - 2007-11-27 06:22:11
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Revision: 8683 http://jmol.svn.sourceforge.net/jmol/?rev=8683&view=rev Author: hansonr Date: 2007-11-26 22:22:09 -0800 (Mon, 26 Nov 2007) Log Message: ----------- Modified Paths: -------------- trunk/Jmol/src/org/jmol/symmetry/SpaceGroup.java trunk/Jmol/src/org/jmol/viewer/TransformManager11.java Modified: trunk/Jmol/src/org/jmol/symmetry/SpaceGroup.java =================================================================== --- trunk/Jmol/src/org/jmol/symmetry/SpaceGroup.java 2007-11-27 05:48:59 UTC (rev 8682) +++ trunk/Jmol/src/org/jmol/symmetry/SpaceGroup.java 2007-11-27 06:22:09 UTC (rev 8683) @@ -146,26 +146,27 @@ } public String dumpInfo() { - if (hallInfo == null) - hallInfo = new HallInfo(hallSymbol); - generateAllOperators(null); + Object info = dumpCanonicalSeitzList(); + if (info instanceof SpaceGroup) + return ((SpaceGroup)info).dumpInfo(); StringBuffer sb = new StringBuffer("\nHermann-Mauguin symbol: "); sb.append(hmSymbol).append(hmSymbolExt.length() > 0 ? ":" + hmSymbolExt : "") .append("\ninternational table number: ").append(intlTableNumber) .append(intlTableNumberExt.length() > 0 ? ":" + intlTableNumberExt : "") - .append(hallInfo == null ? "invalid Hall symbol" : hallInfo.dumpInfo()) .append("\n\n").append(operationCount).append(" operators") .append(!hallInfo.hallSymbol.equals("--") ? " from Hall symbol " + hallInfo.hallSymbol: "") .append(": "); for (int i = 0; i < operationCount; i++) sb.append("\n").append(operations[i].xyz); - sb.append("\n\ncanonical Seitz: ").append(dumpCanonicalSeitzList()) + sb.append("\n\n").append(hallInfo == null ? "invalid Hall symbol" : hallInfo.dumpInfo()); + + sb.append("\n\ncanonical Seitz: ").append((String) info) .append("\n----------------------------------------------------\n"); return sb.toString(); } private static String[] canonicalSeitzList; - public String dumpCanonicalSeitzList() { + public Object dumpCanonicalSeitzList() { if (hallInfo == null) hallInfo = new HallInfo(hallSymbol); generateAllOperators(null); @@ -181,20 +182,15 @@ if (canonicalSeitzList == null) { canonicalSeitzList = new String[spaceGroupDefinitions.length]; for (int i = 0; i < spaceGroupDefinitions.length; i++) - canonicalSeitzList[i] = spaceGroupDefinitions[i].dumpCanonicalSeitzList(); + canonicalSeitzList[i] = (String) spaceGroupDefinitions[i].dumpCanonicalSeitzList(); } String s = sb.toString(); for (int i = 0; i < spaceGroupDefinitions.length; i++) - if (canonicalSeitzList[i].indexOf(s) >= 0){ - sb = new StringBuffer("identified as intl table# ") - .append(spaceGroupDefinitions[i].intlTableNumber) - .append(" / H-M = ").append(spaceGroupDefinitions[i].hmSymbol) - .append(" / Hall = ").append(spaceGroupDefinitions[i].hallSymbol); - break; - } + if (canonicalSeitzList[i].indexOf(s) >= 0) + return spaceGroupDefinitions[i]; } - return (index >= 0 && index < spaceGroupDefinitions.length - ? hallSymbol + " " : "") + sb.toString(); + return (index >= 0 && index < spaceGroupDefinitions.length + ? hallSymbol + " = " : "") + sb.toString(); } Modified: trunk/Jmol/src/org/jmol/viewer/TransformManager11.java =================================================================== --- trunk/Jmol/src/org/jmol/viewer/TransformManager11.java 2007-11-27 05:48:59 UTC (rev 8682) +++ trunk/Jmol/src/org/jmol/viewer/TransformManager11.java 2007-11-27 06:22:09 UTC (rev 8683) @@ -73,10 +73,10 @@ // so that "full window" is visualRange scalePixelsPerAngstrom = (scale3D && !perspectiveDepth && !isNavigationMode ? 72 / scale3DAngstromsPerInch : screenPixelCount / visualRange); //(s/m) - System.out.println("sppA " + scalePixelsPerAngstrom + " pD " + perspectiveDepth +/* System.out.println("sppA " + scalePixelsPerAngstrom + " pD " + perspectiveDepth + " spC " + screenPixelCount + " vR " + visualRange + " sDPPA " + scaleDefaultPixelsPerAngstrom); - +*/ // model radius in pixels modelRadiusPixels = modelRadius * scalePixelsPerAngstrom; //(s) This was sent by the SourceForge.net collaborative development platform, the world's largest Open Source development site. |