Readded XDS_Integrate.HKL, but probably it will not be used.

org.embl.cca.utils/src/org/embl/cca/utils/datahandling/file/XDSIntegrateHKLReader.java

@@ -0,0 +1,66 @@
+package org.embl.cca.utils.datahandling.file;
+
+import java.io.BufferedReader;
+import java.io.IOException;
+import java.io.InputStream;
+import java.io.InputStreamReader;
+import java.util.ArrayList;
+import java.util.List;
+
+import org.eclipse.core.runtime.Assert;
+
+public class XDSIntegrateHKLReader extends BufferedReader {
+
+	public XDSIntegrateHKLReader(final InputStream in) {
+		super(new InputStreamReader(in));
+	}
+
+	/**
+	 * Reads a HKL record. If there is not HKL record at the current position,
+	 * then it tries to get to the next HKL record, and then reads the
+	 * HKL record.
+	 * @return HKL record, or null if the end of the stream has been reached
+	 * @throws IOException If an I/O error occurs
+	 */
+	public XDSIntegrateHKLRecord readNextHKLRecord() throws IOException {
+//		double d = in.read();
+//		new HKL(Amount.valueOf(d, NonSI.ANGSTROM));
+		final XDSIntegrateHKLRecord result;
+		do {
+			final String line = readLine();
+			if( line == null )
+				return null;
+			if( line.startsWith("!"))
+				continue;
+			final String[] values = line.split(" ");
+			Assert.isTrue(values.length == 21);
+			//Normally a line starts with ' ', thus values[0] is empty
+			result = new XDSIntegrateHKLRecord(
+				Integer.parseInt(values[1]), Integer.parseInt(values[2]), //H, K
+				Integer.parseInt(values[3]), //L
+				Double.parseDouble(values[4]), Double.parseDouble(values[5]), //IOBS, SIGMA
+				Double.parseDouble(values[6]), Double.parseDouble(values[7]), //XCAL, YCAL
+				Double.parseDouble(values[8]), Double.parseDouble(values[9]), //ZCAL, RLP
+				Integer.parseInt(values[10]), Integer.parseInt(values[11]), //PEAK, CORR
+				Integer.parseInt(values[12]), //MAXC
+				Double.parseDouble(values[13]), Double.parseDouble(values[14]), //XOBS, YOBS
+				Double.parseDouble(values[15]), Double.parseDouble(values[16]), //ZOBS, ALF0
+				Double.parseDouble(values[17]), Double.parseDouble(values[18]), //BET0, ALF1
+				Double.parseDouble(values[19]), Double.parseDouble(values[20]) //BET1, PSI
+			);
+			break;
+		} while( true );
+		return result;
+	}
+
+	public List<XDSIntegrateHKLRecord> readAllHKLRecords() throws IOException {
+		ArrayList<XDSIntegrateHKLRecord> result = new ArrayList<XDSIntegrateHKLRecord>();
+		do {
+			final XDSIntegrateHKLRecord record = readNextHKLRecord();
+			if( record == null )
+				break;
+			result.add(record);
+		} while( true );
+		return result;
+	}
+}

org.embl.cca.utils/src/org/embl/cca/utils/datahandling/file/XDSIntegrateHKLRecord.java

@@ -0,0 +1,93 @@
+package org.embl.cca.utils.datahandling.file;
+
+public class XDSIntegrateHKLRecord {
+	protected final int h;
+	protected final int k;
+	protected final int l;
+	protected final double iobs;
+	protected final double sigma;
+	protected final double xcal;
+	protected final double ycal;
+	protected final double zcal;
+	protected final double rlp;
+	protected final int peak;
+	protected final int corr;
+	protected final int maxc;
+	protected final double xobs;
+	protected final double yobs;
+	protected final double zobs;
+	protected final double alf0;
+	protected final double bet0;
+	protected final double alf1;
+	protected final double bet1;
+	protected final double psi;
+
+	public XDSIntegrateHKLRecord(final int h, final int k, final int l,
+		final double iobs, final double sigma,
+		final double xcal, final double ycal, final double zcal,
+		final double rlp, final int peak, final int corr,
+		final int maxc, final double xobs, final double yobs,
+		final double zobs, final double alf0, final double bet0,
+		final double alf1, final double bet1, final double psi) {
+		this.h = h;
+		this.k = k;
+		this.l = l;
+		this.iobs = iobs;
+		this.sigma = sigma;
+		this.xcal = xcal;
+		this.ycal = ycal;
+		this.zcal = zcal;
+		this.rlp = rlp;
+		this.peak = peak;
+		this.corr = corr;
+		this.maxc = maxc;
+		this.xobs = xobs;
+		this.yobs = yobs;
+		this.zobs = zobs;
+		this.alf0 = alf0;
+		this.bet0 = bet0;
+		this.alf1 = alf1;
+		this.bet1 = bet1;
+		this.psi = psi;
+	}
+
+    /**
+     * Returns a string representation of this record and its values.
+     * The returned string may be empty but may not be <code>null</code>.
+     *
+     * @return  a string representation of this point
+     */
+	@Override
+	public String toString() {
+		final StringBuilder sb = new StringBuilder(getClass().getName()).append('[');
+		sb.append("h=").append(h);
+		sb.append(", k=").append(k);
+		sb.append(", l=").append(l);
+		sb.append(", iobs=").append(iobs);
+		sb.append(", sigma=").append(sigma);
+		sb.append(", xcal=").append(xcal);
+		sb.append(", ycal=").append(ycal);
+		sb.append(", zcal=").append(zcal);
+		sb.append(", rlp=").append(rlp);
+		sb.append(", peak=").append(peak);
+		sb.append(", corr=").append(corr);
+		sb.append(", maxc=").append(maxc);
+		sb.append(", xobs=").append(xobs);
+		sb.append(", yobs=").append(yobs);
+		sb.append(", zobs=").append(zobs);
+		sb.append(", alf0=").append(alf0);
+		sb.append(", bet0=").append(bet0);
+		sb.append(", alf1=").append(alf1);
+		sb.append(", bet1=").append(bet1);
+		sb.append(", psi=").append(psi);
+		sb.append(']');
+		return sb.toString();
+	}
+
+	public int getH() { return h; }
+	public int getK() { return k; }
+	public int getL() { return l; }
+	public double getX() { return xobs; }
+	public double getY() { return yobs; }
+	public double getZ() { return zobs; }
+}