Clazz.declarePackage("J.jvxl.readers");
Clazz.load(["J.jvxl.readers.MapFileReader"], "J.jvxl.readers.BCifDensityReader", ["java.io.BufferedInputStream", "$.ByteArrayInputStream", "JU.AU", "$.BC", "$.MessagePackReader", "$.P3", "$.SB", "JU.Logger"], function(){
var c$ = Clazz.decorateAsClass(function(){
this.header = null;
this.pt = 0;
this.checkSum = 0;
this.values = null;
this.cifData = null;
this.thisData = null;
this.isDiff = false;
Clazz.instantialize(this, arguments);}, J.jvxl.readers, "BCifDensityReader", J.jvxl.readers.MapFileReader);
Clazz.makeConstructor(c$, 
function(){
Clazz.superConstructor (this, J.jvxl.readers.BCifDensityReader, []);
});
Clazz.defineMethod(c$, "getCifData", 
function(fileName, data){
this.binarydoc = this.newBinaryDocument();
if (JU.AU.isAB(data)) this.binarydoc.setStream( new java.io.BufferedInputStream( new java.io.ByteArrayInputStream(data)), true);
 else this.setStream(fileName, true);
this.nSurfaces = 1;
}, "~S,~O");
Clazz.defineMethod(c$, "readCifP3", 
function(key, p3){
if (p3 == null) p3 =  new JU.P3();
var x = this.getCifFloat(key + "[0]");
if (Float.isNaN(x)) {
p3.x = NaN;
} else {
p3.x = x;
p3.y = this.getCifFloat(key + "[1]");
p3.z = this.getCifFloat(key + "[2]");
}return p3;
}, "~S,JU.P3");
Clazz.defineMethod(c$, "getCifMap", 
function(type){
if (this.cifData == null) try {
this.cifData = ( new JU.MessagePackReader(this.binarydoc, true)).readMap();
System.out.println("BCifDensityReader BCIF encoder " + this.cifData.get("encoder") + " BCIF version " + this.cifData.get("version"));
} catch (e) {
if (Clazz.exceptionOf(e, Exception)){
System.out.println("BCifDensityReader error " + e);
} else {
throw e;
}
}
var dataBlocks = this.cifData.get("dataBlocks");
for (var i = dataBlocks.length; --i >= 0; ) {
var map = dataBlocks[i];
this.header = map.get("header").toString();
if ("EM".equals(this.header) || type.equalsIgnoreCase(this.header)) {
var categories = map.get("categories");
for (var j = categories.length; --j >= 0; ) {
var cat = categories[j];
var catName = cat.get("name");
var columns = cat.get("columns");
for (var k = columns.length; --k >= 0; ) {
var col = columns[k];
map.put(catName + "_" + col.get("name"), col.get("data"));
}
}
map.remove("categories");
return this.thisData = map;
}}
return null;
}, "~S");
Clazz.defineMethod(c$, "getCifFloat", 
function(key){
var map = this.thisData.get(key);
var data = map.get("data");
var encoding = (((map.get("encoding"))[0]).get("type")).intValue();
var f = NaN;
try {
switch (encoding) {
case 3:
f = JU.BC.bytesToInt(data, 0, false);
break;
case 33:
f = JU.BC.bytesToDoubleToFloat(data, 0, false);
break;
default:
System.out.println("BCifDensityReader: Number encoding not recognized: " + encoding);
break;
}
} catch (e) {
if (Clazz.exceptionOf(e, Exception)){
e.printStackTrace();
} else {
throw e;
}
}
return f;
}, "~S");
Clazz.defineMethod(c$, "readCifFloats", 
function(key, values){
var map = this.thisData.get(key);
var data = map.get("data");
var encoding = (map.get("encoding"))[0];
var min = (encoding.get("min")).floatValue();
var max = (encoding.get("max")).floatValue();
var numSteps = (encoding.get("numSteps")).intValue();
var kind = encoding.get("kind");
if ("IntervalQuantization".equals(kind)) {
var delta = (max - min) / (numSteps - 1);
for (var i = data.length; --i >= 0; ) {
values[i] = min + delta * ((data[i] + 256) % 256);
}
} else {
System.out.println("BCifDensityReader: value encoding type? " + kind);
}return values;
}, "~S,~A");
Clazz.overrideMethod(c$, "init2", 
function(sg, br){
this.allowSigma = true;
this.init2MFR(sg, br);
var o2 = sg.getReaderData();
var fileName = o2[0];
var data = o2[1];
this.isDiff = (fileName != null && fileName.indexOf("&diff=1") >= 0 || (typeof(data)=='string') && (data).indexOf("#diff=1") >= 0);
this.getCifData(fileName, data);
this.nSurfaces = 1;
}, "J.jvxl.readers.SurfaceGenerator,java.io.BufferedReader");
Clazz.overrideMethod(c$, "readParameters", 
function(){
this.getCifMap(this.isDiff ? "FO-FC" : "2FO-FC");
this.readCifP3("_volume_data_3d_info_axis_order", this.p3);
var axis_order = this.readCifP3("_volume_data_3d_info_axis_order", null);
var fracOrigin = this.readCifP3("_volume_data_3d_info_origin", null);
var fracDimensions = this.readCifP3("_volume_data_3d_info_dimensions", null);
var sampleCounts = this.readCifP3("_volume_data_3d_info_sample_count", this.p3);
this.mapc = Clazz.floatToInt(axis_order.x) + 1;
this.mapr = Clazz.floatToInt(axis_order.y) + 1;
this.maps = Clazz.floatToInt(axis_order.z) + 1;
var crs2abc =  Clazz.newIntArray (3, 0);
crs2abc[this.mapc - 1] = 0;
crs2abc[this.mapr - 1] = 1;
crs2abc[this.maps - 1] = 2;
this.n0 = Clazz.floatToInt(sampleCounts.x);
this.n1 = Clazz.floatToInt(sampleCounts.y);
this.n2 = Clazz.floatToInt(sampleCounts.z);
this.na = Clazz.floatToInt(this.getXYZ(sampleCounts, crs2abc[0]));
this.nb = Clazz.floatToInt(this.getXYZ(sampleCounts, crs2abc[1]));
this.nc = Clazz.floatToInt(this.getXYZ(sampleCounts, crs2abc[2]));
this.readCifP3("_volume_data_3d_info_spacegroup_cell_size", this.p3);
this.a = this.p3.x;
this.b = this.p3.y;
this.c = this.p3.z;
var fa = this.getXYZ(fracDimensions, crs2abc[0]);
var fb = this.getXYZ(fracDimensions, crs2abc[1]);
var fc = this.getXYZ(fracDimensions, crs2abc[2]);
this.xyzStart[this.xIndex = 0] = this.getXYZ(fracOrigin, crs2abc[0]) * this.na / fa;
this.xyzStart[this.yIndex = 1] = this.getXYZ(fracOrigin, crs2abc[1]) * this.nb / fb;
this.xyzStart[this.zIndex = 2] = this.getXYZ(fracOrigin, crs2abc[2]) * this.nc / fc;
this.a *= fa;
this.b *= fb;
this.c *= fc;
this.readCifP3("_volume_data_3d_info_spacegroup_cell_angles", this.p3);
this.alpha = this.p3.x;
this.beta = this.p3.y;
this.gamma = this.p3.z;
this.values = this.readCifFloats("_volume_data_3d_values",  Clazz.newFloatArray (this.na * this.nb * this.nc, 0));
this.getVectorsAndOrigin();
if (this.params.thePlane == null && (this.params.cutoffAutomatic || !Float.isNaN(this.params.sigma))) {
var sigma = (this.params.sigma < 0 || Float.isNaN(this.params.sigma) ? 1 : this.params.sigma);
this.dmean = this.getCifFloat("_volume_data_3d_info_mean_sampled");
var rmsDeviation = this.getCifFloat("_volume_data_3d_info_sigma_sampled");
this.params.cutoff = rmsDeviation * sigma + this.dmean;
JU.Logger.info("Cutoff set to (mean + rmsDeviation*" + sigma + " = " + this.params.cutoff + ")\n");
}this.jvxlFileHeaderBuffer =  new JU.SB();
this.jvxlFileHeaderBuffer.append("BCifDensity reader type=" + this.header + "\n");
});
Clazz.defineMethod(c$, "getXYZ", 
function(a, x){
switch (Clazz.floatToInt(x)) {
case 0:
return a.x;
case 1:
return a.y;
case 2:
default:
return a.z;
}
}, "JU.P3,~N");
Clazz.overrideMethod(c$, "nextVoxel", 
function(){
var v = this.values[this.pt++];
this.checkSum += v;
return v;
});
Clazz.overrideMethod(c$, "skipData", 
function(nPoints){
this.pt += nPoints;
}, "~N");
Clazz.defineMethod(c$, "closeReader", 
function(){
if (this.readerClosed) return;
System.out.println("CifDensityReader checkSum=" + this.checkSum);
Clazz.superCall(this, J.jvxl.readers.BCifDensityReader, "closeReader", []);
});
});
;//5.0.1-v2 Tue Jul 23 17:25:20 CDT 2024
