/*
- * Jalview - A Sequence Alignment Editor and Viewer (Version 2.8)
- * Copyright (C) 2012 J Procter, AM Waterhouse, LM Lui, J Engelhardt, G Barton, M Clamp, S Searle
+ * Jalview - A Sequence Alignment Editor and Viewer (Version 2.9.0b2)
+ * Copyright (C) 2015 The Jalview Authors
*
* This file is part of Jalview.
*
* Jalview is free software: you can redistribute it and/or
* modify it under the terms of the GNU General Public License
- * as published by the Free Software Foundation, either version 3 of the License, or (at your option) any later version.
+ * as published by the Free Software Foundation, either version 3
+ * of the License, or (at your option) any later version.
*
* Jalview is distributed in the hope that it will be useful, but
* WITHOUT ANY WARRANTY; without even the implied warranty
* of MERCHANTABILITY or FITNESS FOR A PARTICULAR
* PURPOSE. See the GNU General Public License for more details.
*
- * You should have received a copy of the GNU General Public License along with Jalview. If not, see <http://www.gnu.org/licenses/>.
+ * You should have received a copy of the GNU General Public License
+ * along with Jalview. If not, see <http://www.gnu.org/licenses/>.
+ * The Jalview Authors are detailed in the 'AUTHORS' file.
*/
-
-
package jalview.analysis;
-import java.util.*;
+import jalview.datamodel.AlignmentAnnotation;
+import jalview.datamodel.Annotation;
+import jalview.datamodel.SequenceFeature;
+import jalview.datamodel.SequenceI;
+import jalview.util.Format;
-import jalview.datamodel.*;
+import java.util.ArrayList;
+import java.util.Hashtable;
/**
* Takes in a vector or array of sequences and column start and column end and
*/
public class StructureFrequency
{
+ public static final int STRUCTURE_PROFILE_LENGTH = 74;
+
// No need to store 1000s of strings which are not
// visible to the user.
public static final String MAXCOUNT = "C";
*/
public static int findPair(SequenceFeature[] pairs, int indice)
{
- System.out.print("indice"+indice+" ");
+
for (int i = 0; i < pairs.length; i++)
{
if (pairs[i].getBegin() == indice)
-
+
{
- System.out.println(pairs[i].getEnd());
+
return pairs[i].getEnd();
-
+
}
}
return -1;
int end, Hashtable[] result, boolean profile,
AlignmentAnnotation rnaStruc)
{
-// System.out.println("longueur="+sequences.length);
-// for(int l=0;l<=(sequences.length-1);l++){
-// System.out.println("sequences "+l+":"+sequences[l].getSequenceAsString());
-// }
-// System.out.println("start="+start);
- System.out.println("end="+end);
-// System.out.println("result="+result.length);
-//
-// System.out.println("profile="+profile);
-// System.out.println("rnaStruc="+rnaStruc);
+
Hashtable residueHash;
String maxResidue;
char[] struc = rnaStruc.getRNAStruc().toCharArray();
+
SequenceFeature[] rna = rnaStruc._rnasecstr;
char c, s, cEnd;
int count = 0, nonGap = 0, i, bpEnd = -1, j, jSize = sequences.length;
int[][] pairs;
float percentage;
boolean wooble = true;
-
for (i = start; i < end; i++) // foreach column
{
residueHash = new Hashtable();
values = new int[255];
pairs = new int[255][255];
bpEnd = -1;
- //System.out.println("s="+struc[i]);
+ // System.out.println("s="+struc[i]);
if (i < struc.length)
{
s = struc[i];
-
+
}
else
{
}
else
{
-
-
+
bpEnd = findPair(rna, i);
-
- if (bpEnd>-1)
- {
- for (j = 0; j < jSize; j++) // foreach row
+
+ if (bpEnd > -1)
{
- if (sequences[j] == null)
+ for (j = 0; j < jSize; j++) // foreach row
{
- System.err
- .println("WARNING: Consensus skipping null sequence - possible race condition.");
- continue;
- }
- c = sequences[j].getCharAt(i);
- //System.out.println("c="+c);
-
+ if (sequences[j] == null)
+ {
+ System.err
+ .println("WARNING: Consensus skipping null sequence - possible race condition.");
+ continue;
+ }
+ c = sequences[j].getCharAt(i);
+ // System.out.println("c="+c);
// standard representation for gaps in sequence and structure
if (c == '.' || c == ' ')
{
- System.err
- .println("WARNING: Consensus skipping null sequence - possible race condition.");
+ c = '-';
+ }
+
+ if (c == '-')
+ {
+ values['-']++;
continue;
}
cEnd = sequences[j].getCharAt(bpEnd);
-
-
- System.out.println("pairs ="+c+","+cEnd);
- if (checkBpType(c, cEnd)==true)
+
+ // System.out.println("pairs ="+c+","+cEnd);
+ if (checkBpType(c, cEnd) == true)
{
values['(']++; // H means it's a helix (structured)
maxResidue = "(";
- wooble=true;
- System.out.println("It's a pair wc");
-
+ wooble = true;
+ // System.out.println("It's a pair wc");
+
}
- if (checkBpType(c, cEnd)==false)
+ if (checkBpType(c, cEnd) == false)
{
- wooble =false;
+ wooble = false;
values['[']++; // H means it's a helix (structured)
maxResidue = "[";
- System.out.println("It's an pair non canonic");
- System.out.println(sequences[j].getRNA());
- System.out.println(rnaStruc.getRNAStruc().charAt(i));
+
}
- pairs[c][cEnd]++;
-
-
- }
+ pairs[c][cEnd]++;
+ }
}
// nonGap++;
}
// UPDATE this for new values
if (profile)
{
- residueHash.put(PROFILE, new int[][]
- { values, new int[]
- { jSize, (jSize - values['-']) } });
+ // TODO 1-dim array with jsize in [0], nongapped in [1]; or Pojo
+ residueHash.put(PROFILE, new int[][] { values,
+ new int[] { jSize, (jSize - values['-']) } });
residueHash.put(PAIRPROFILE, pairs);
}
- if (wooble==true)
+ if (wooble == true)
{
- count = values['('];
+ count = values['('];
}
- if (wooble==false)
+ if (wooble == false)
{
- count = values['['];
+ count = values['['];
}
residueHash.put(MAXCOUNT, new Integer(count));
residueHash.put(MAXRESIDUE, maxResidue);
}
if (bpEnd > 0)
{
- values[')'] = values['('];
+ values[')'] = values['('];
values[']'] = values['['];
values['('] = 0;
values['['] = 0;
residueHash = new Hashtable();
- if (wooble==true){
- System.out.println(maxResidue+","+wooble);
- maxResidue = ")";
+ if (wooble == true)
+ {
+ // System.out.println(maxResidue+","+wooble);
+ maxResidue = ")";
}
- if(wooble==false){
- System.out.println(maxResidue+","+wooble);
- maxResidue = "]";
+ if (wooble == false)
+ {
+ // System.out.println(maxResidue+","+wooble);
+ maxResidue = "]";
}
if (profile)
{
- residueHash.put(PROFILE, new int[][]
- { values, new int[]
- { jSize, (jSize - values['-']) } });
+ residueHash.put(PROFILE, new int[][] { values,
+ new int[] { jSize, (jSize - values['-']) } });
residueHash.put(PAIRPROFILE, pairs);
}
residueHash.put(PID_GAPS, new Float(percentage));
result[bpEnd] = residueHash;
-
+
}
}
}
public static void completeConsensus(AlignmentAnnotation consensus,
Hashtable[] hconsensus, int iStart, int width,
boolean ignoreGapsInConsensusCalculation,
- boolean includeAllConsSymbols)
+ boolean includeAllConsSymbols, long nseq)
{
float tval, value;
if (consensus == null || consensus.annotations == null
// initialised properly
return;
}
+ String fmtstr = "%3.1f";
+ int precision = 2;
+ while (nseq > 100)
+ {
+ precision++;
+ nseq /= 10;
+ }
+ if (precision > 2)
+ {
+ fmtstr = "%" + (2 + precision) + "." + precision + "f";
+ }
+ Format fmt = new Format(fmtstr);
+
for (int i = iStart; i < width; i++)
{
Hashtable hci;
* ((c == 0) ? "" : "; ") + alphabet[c] + " " + ((int) tval) + "%"; } }
* else {
*/
- Object[] ca = new Object[625];
+ int[][] ca = new int[625][];
float[] vl = new float[625];
int x = 0;
for (int c = 65; c < 90; c++)
{
for (int d = 65; d < 90; d++)
{
- ca[x] = new int[]
- { c, d };
+ ca[x] = new int[] { c, d };
vl[x] = pairs[c][d];
x++;
}
jalview.util.QuickSort.sort(vl, ca);
int p = 0;
+ /*
+ * profile[1] is {total, ungappedTotal}
+ */
+ final int divisor = profile[1][ignoreGapsInConsensusCalculation ? 1
+ : 0];
for (int c = 624; c > 0; c--)
{
if (vl[c] > 0)
{
- tval = (vl[c] * 100f / profile[1][ignoreGapsInConsensusCalculation ? 1
- : 0]);
- mouseOver += ((p == 0) ? "" : "; ") + (char) ((int[]) ca[c])[0]
- + (char) ((int[]) ca[c])[1] + " " + ((int) tval) + "%";
+ tval = (vl[c] * 100f / divisor);
+ mouseOver += ((p == 0) ? "" : "; ") + (char) ca[c][0]
+ + (char) ca[c][1] + " " + fmt.form(tval) + "%";
p++;
}
}
else
{
- mouseOver += ((int) value + "%");
+ mouseOver += (fmt.form(value) + "%");
}
consensus.annotations[i] = new Annotation(maxRes, mouseOver, ' ',
value);
public static int[] extractProfile(Hashtable hconsensus,
boolean ignoreGapsInConsensusCalculation)
{
- int[] rtnval = new int[74]; // 2*(5*5)+2
+ int[] rtnval = new int[STRUCTURE_PROFILE_LENGTH]; // 2*(5*5)+2
int[][] profile = (int[][]) hconsensus.get(StructureFrequency.PROFILE);
int[][] pairs = (int[][]) hconsensus
.get(StructureFrequency.PAIRPROFILE);
if (profile == null)
+ {
return null;
+ }
// TODO fix the object length, also do it in completeConsensus
- Object[] ca = new Object[625];
+ // Object[] ca = new Object[625];
+ int[][] ca = new int[625][];
float[] vl = new float[625];
int x = 0;
for (int c = 65; c < 90; c++)
{
for (int d = 65; d < 90; d++)
{
- ca[x] = new int[]
- { c, d };
+ ca[x] = new int[] { c, d };
vl[x] = pairs[c][d];
x++;
}
}
jalview.util.QuickSort.sort(vl, ca);
- rtnval[0] = 2;
+ int valuesCount = 0;
rtnval[1] = 0;
+ int offset = 2;
+ final int divisor = profile[1][ignoreGapsInConsensusCalculation ? 1 : 0];
for (int c = 624; c > 0; c--)
{
if (vl[c] > 0)
{
- rtnval[rtnval[0]++] = ((int[]) ca[c])[0];
- rtnval[rtnval[0]++] = ((int[]) ca[c])[1];
- rtnval[rtnval[0]] = (int) (vl[c] * 100f / profile[1][ignoreGapsInConsensusCalculation ? 1
- : 0]);
- rtnval[1] += rtnval[rtnval[0]++];
+ rtnval[offset++] = ca[c][0];
+ rtnval[offset++] = ca[c][1];
+ rtnval[offset] = (int) (vl[c] * 100f / divisor);
+ rtnval[1] += rtnval[offset++];
+ valuesCount++;
}
}
+ rtnval[0] = valuesCount;
- return rtnval;
+ // insert profile type code in position 0
+ int[] result = new int[rtnval.length + 1];
+ result[0] = AlignmentAnnotation.STRUCTURE_PROFILE;
+ System.arraycopy(rtnval, 0, result, 1, rtnval.length);
+ return result;
}
public static void main(String args[])
git://source.jalview.org / jalview.git / blobdiff