/** * legacy -- for some scripts with early isosurface slabbing * * @param s * @param isCap * @return slabInfo object */ public static Object[] getCapSlabObject(String s, boolean isCap) { try { if (s.indexOf("array") == 0) { String[] pts = PT.split(s.substring(6, s.length() - 1), ","); return TempArray.getSlabObjectType( T.boundbox, new P3[] { (P3) Escape.uP(pts[0]), (P3) Escape.uP(pts[1]), (P3) Escape.uP(pts[2]), (P3) Escape.uP(pts[3]) }, isCap, null); } Object plane = Escape.uP(s); if (plane instanceof P4) return TempArray.getSlabObjectType(T.plane, plane, isCap, null); } catch (Exception e) { // } return null; }
protected void jvxlReadSurfaceInfo() throws Exception { String s; String data = xr.getXmlData("jvxlSurfaceInfo", null, true, true); isXLowToHigh = XmlReader.getXmlAttrib(data, "isXLowToHigh").equals("true"); jvxlCutoff = parseFloatStr(XmlReader.getXmlAttrib(data, "cutoff")); if (!Float.isNaN(jvxlCutoff)) Logger.info("JVXL read: cutoff " + jvxlCutoff); int nContourData = parseIntStr(XmlReader.getXmlAttrib(data, "nContourData")); haveContourData = (nContourData > 0); params.isContoured = XmlReader.getXmlAttrib(data, "contoured").equals("true"); if (params.isContoured) { int nContoursRead = parseIntStr(XmlReader.getXmlAttrib(data, "nContours")); if (nContoursRead <= 0) { nContoursRead = 0; } else { s = XmlReader.getXmlAttrib(data, "contourValues"); if (s.length() > 0) { jvxlData.contourValues = params.contoursDiscrete = parseFloatArrayStr(s); Logger.info("JVXL read: contourValues " + Escape.eAF(jvxlData.contourValues)); } s = XmlReader.getXmlAttrib(data, "contourColors"); if (s.length() > 0) { jvxlData.contourColixes = params.contourColixes = C.getColixArray(s); jvxlData.contourColors = C.getHexCodes(jvxlData.contourColixes); Logger.info("JVXL read: contourColixes " + C.getHexCodes(jvxlData.contourColixes)); } params.contourFromZero = XmlReader.getXmlAttrib(data, "contourFromZero").equals("true"); } params.nContours = (haveContourData ? nContourData : nContoursRead); // TODO ? params.contourFromZero = false; // MEP data to complete the plane } jvxlData.nVertexColors = parseIntStr(XmlReader.getXmlAttrib(data, "nVertexColors")); params.isBicolorMap = XmlReader.getXmlAttrib(data, "bicolorMap").equals("true"); if (params.isBicolorMap) { // TODO -- not quite right, because s = XmlReader.getXmlAttrib(data, "colorPositive"); if (s.length() > 0 && params.colorRgb == Integer.MIN_VALUE && params.colorPos == Parameters.defaultColorPositive) params.colorPos = CU.getArgbFromString(s); s = XmlReader.getXmlAttrib(data, "colorNegative"); if (s.length() > 0 && params.colorRgb == Integer.MIN_VALUE && params.colorNeg == Parameters.defaultColorNegative) params.colorNeg = CU.getArgbFromString(s); } if (params.isBicolorMap || params.colorBySign) jvxlCutoff = 0; jvxlDataIsColorMapped = ((params.colorRgb == Integer.MIN_VALUE || params.colorRgb == Integer.MAX_VALUE) && (params.isBicolorMap || XmlReader.getXmlAttrib(data, "colorMapped").equals("true"))); // isJvxlPrecisionColor is for information only -- will be superceded by encoding attribute of // jvxlColorData jvxlData.isJvxlPrecisionColor = XmlReader.getXmlAttrib(data, "precisionColor").equals("true"); jvxlData.jvxlDataIsColorDensity = params.colorDensity = (params.colorRgb == Integer.MIN_VALUE && XmlReader.getXmlAttrib(data, "colorDensity").equals("true")); if (jvxlData.jvxlDataIsColorDensity && Float.isNaN(params.pointSize)) { s = XmlReader.getXmlAttrib(data, "pointSize"); if (s.length() > 0) jvxlData.pointSize = params.pointSize = parseFloatStr(s); } s = XmlReader.getXmlAttrib(data, "allowVolumeRender"); jvxlData.allowVolumeRender = params.allowVolumeRender = (s.length() == 0 || s.equalsIgnoreCase("true")); s = XmlReader.getXmlAttrib(data, "plane"); if (s.indexOf("{") >= 0) { params.thePlane = null; params.mapLattice = null; try { params.thePlane = (P4) Escape.uP(s); s = XmlReader.getXmlAttrib(data, "maplattice"); Logger.info("JVXL read: plane " + params.thePlane); if (s.indexOf("{") >= 0) { params.mapLattice = (P3) Escape.uP(s); Logger.info("JVXL read: mapLattice " + params.mapLattice); } if (params.scale3d == 0) params.scale3d = parseFloatStr(XmlReader.getXmlAttrib(data, "scale3d")); if (Float.isNaN(params.scale3d)) params.scale3d = 0; } catch (Exception e) { if (params.thePlane == null) { Logger.error("JVXL Error reading plane definition -- setting to 0 0 1 0 (z=0)"); params.thePlane = P4.new4(0, 0, 1, 0); } else { Logger.error("JVXL Error reading mapLattice definition -- ignored"); } } surfaceDataCount = 0; edgeDataCount = 0; } else { params.thePlane = null; surfaceDataCount = parseIntStr(XmlReader.getXmlAttrib(data, "nSurfaceInts")); edgeDataCount = parseIntStr(XmlReader.getXmlAttrib(data, "nBytesUncompressedEdgeData")); } excludedVertexCount = parseIntStr(XmlReader.getXmlAttrib(data, "nExcludedVertexes")); excludedTriangleCount = parseIntStr(XmlReader.getXmlAttrib(data, "nExcludedTriangles")); invalidatedVertexCount = parseIntStr(XmlReader.getXmlAttrib(data, "nInvalidatedVertexes")); s = XmlReader.getXmlAttrib(data, "slabInfo"); if (s.length() > 0) jvxlData.slabInfo = s; colorDataCount = Math.max(0, parseIntStr(XmlReader.getXmlAttrib(data, "nBytesUncompressedColorData"))); jvxlDataIs2dContour = (params.thePlane != null && jvxlDataIsColorMapped); // new Jmol 12.1.50 jvxlData.color = XmlReader.getXmlAttrib(data, "color"); if (jvxlData.color.length() == 0 || jvxlData.color.indexOf("null") >= 0) jvxlData.color = "orange"; jvxlData.translucency = parseFloatStr(XmlReader.getXmlAttrib(data, "translucency")); if (Float.isNaN(jvxlData.translucency)) jvxlData.translucency = 0; s = XmlReader.getXmlAttrib(data, "meshColor"); if (s.length() > 0) jvxlData.meshColor = s; s = XmlReader.getXmlAttrib(data, "rendering"); if (s.length() > 0) jvxlData.rendering = s; jvxlData.colorScheme = XmlReader.getXmlAttrib(data, "colorScheme"); if (jvxlData.colorScheme.length() == 0) jvxlData.colorScheme = null; if (jvxlData.thisSet < 0) { int n = parseIntStr(XmlReader.getXmlAttrib(data, "set")); if (n > 0) jvxlData.thisSet = n - 1; } jvxlData.slabValue = parseIntStr(XmlReader.getXmlAttrib(data, "slabValue")); jvxlData.isSlabbable = (XmlReader.getXmlAttrib(data, "slabbable").equalsIgnoreCase("true")); jvxlData.diameter = parseIntStr(XmlReader.getXmlAttrib(data, "diameter")); if (jvxlData.diameter == Integer.MIN_VALUE) jvxlData.diameter = 0; if (jvxlDataIs2dContour) params.isContoured = true; if (params.colorBySign) params.isBicolorMap = true; boolean insideOut = XmlReader.getXmlAttrib(data, "insideOut").equals("true"); float dataMin = Float.NaN; float dataMax = Float.NaN; float red = Float.NaN; float blue = Float.NaN; if (jvxlDataIsColorMapped) { dataMin = parseFloatStr(XmlReader.getXmlAttrib(data, "dataMinimum")); dataMax = parseFloatStr(XmlReader.getXmlAttrib(data, "dataMaximum")); red = parseFloatStr(XmlReader.getXmlAttrib(data, "valueMappedToRed")); blue = parseFloatStr(XmlReader.getXmlAttrib(data, "valueMappedToBlue")); if (Float.isNaN(dataMin)) { dataMin = red = -1f; dataMax = blue = 1f; } } jvxlSetColorRanges(dataMin, dataMax, red, blue, insideOut); }