package jalview.datamodel;
-import java.awt.Color;
-import java.math.BigInteger;
import java.util.ArrayList;
-import java.util.BitSet;
-import java.util.HashMap;
import java.util.List;
-import java.util.Spliterator;
import java.util.StringTokenizer;
import jalview.bin.Console;
-public abstract class ContactMatrix implements ContactMatrixI
+public abstract class ContactMatrix extends GroupSetHolder implements ContactMatrixI
{
/**
* are contacts reflexive ?
@Override
public double getContactAt(int column)
{
- List<Float> clist;
- Float cl = null;
- if (symmetric)
- {
- if (p < column)
- {
- clist = contacts.get(p);
- cl = clist.get(column);
- }
- else
- {
- clist = contacts.get(column);
- cl = clist.get(p);
- }
- }
- else
- {
- clist = contacts.get(p);
- cl = clist.get(column);
- }
+ Float cl = getFloatElementAt(column, p);
if (cl == null)
{
// return 0 not NaN ?
}
});
}
-
+ private Float getFloatElementAt(int column, int p)
+ {
+
+ List<Float> clist;
+ Float cl = null;
+ if (symmetric)
+ {
+ if (p < column)
+ {
+ clist = contacts.get(p);
+ cl = clist.get(column);
+ }
+ else
+ {
+ clist = contacts.get(column);
+ cl = clist.get(p);
+ }
+ }
+ else
+ {
+ clist = contacts.get(p);
+ cl = clist.get(column);
+ }
+ return cl;
+ }
+ @Override
+ public double getElementAt(int column, int row)
+ {
+ Float cl = getFloatElementAt(column, row);
+ if (cl!=null)
+ {
+ return cl;
+ }
+ throw(new RuntimeException("Out of Bounds "+column+","+row));
+ }
@Override
public float getMin()
{
{
return "Contact Matrix";
}
- GroupSet grps = new GroupSet();
- @Override
- public GroupSetI getGroupSet()
- {
- return grps;
- }
- @Override
- public void setGroupSet(GroupSet makeGroups)
- {
- grps = makeGroups;
- }
public static String contactToFloatString(ContactMatrixI cm)
{
StringBuilder sb = new StringBuilder();
}
return Color.white;
}
+
+ /**
+ * direct access to column and row position of matrix
+
+ * Implementations are allowed to throw
+ * RunTimeExceptions if _column/i are out of bounds
+ *
+ * @param column
+ * @param row
+ * @return
+ */
+ double getElementAt(int column, int row);
}
--- /dev/null
+package jalview.datamodel;
+
+public class FloatContactMatrix extends GroupSetHolder implements ContactMatrixI
+{
+
+ int maxrow = 0, maxcol = 0;
+
+
+ float[][] elements;
+
+ float maxscore;
+
+
+ public FloatContactMatrix(float[][] matrix)
+ {
+ maxcol = 0;
+ for (float[] row : matrix)
+ {
+ if (row.length > maxcol)
+ {
+ maxcol = row.length;
+ }
+ maxscore = row[0];
+ for (float f : row)
+ {
+ if (maxscore < f)
+ {
+ maxscore = f;
+ }
+ }
+ }
+ maxrow = matrix.length;
+ elements = matrix;
+ }
+
+ public FloatContactMatrix(float[][] elements2, GroupSet grps2)
+ {
+ this(elements2);
+ setGroupSet(grps2);
+ }
+
+ /**
+ * getContactList(column) @returns the vector of predicted alignment errors
+ * for reference position given by column
+ */
+ @Override
+ public ContactListI getContactList(final int column)
+ {
+ if (column < 0 || column >= elements.length)
+ {
+ return null;
+ }
+
+ return new ContactListImpl(new ContactListProviderI()
+ {
+ @Override
+ public int getPosition()
+ {
+ return column;
+ }
+
+ @Override
+ public int getContactHeight()
+ {
+ return maxcol - 1;
+ }
+
+ @Override
+ public double getContactAt(int mcolumn)
+ {
+ if (mcolumn < 0 || mcolumn >= elements[column].length)
+ {
+ return -1;
+ }
+ return elements[column][mcolumn];
+ }
+ });
+ }
+
+ /**
+ * getElementAt(column, i) @returns the predicted superposition error for the
+ * ith position when column is used as reference
+ */
+ @Override
+ public double getElementAt(int _column, int i)
+ {
+ return elements[_column][i];
+ }
+
+ @Override
+ public float getMin()
+ {
+ return 0;
+ }
+
+ @Override
+ public float getMax()
+ {
+ return maxscore;
+ }
+
+ @Override
+ public String getAnnotDescr()
+ {
+ // TODO Auto-generated method stub
+ return null;
+ }
+
+ @Override
+ public String getAnnotLabel()
+ {
+ // TODO Auto-generated method stub
+ return null;
+ }
+
+ @Override
+ public String getType()
+ {
+ return null;
+ }
+
+ @Override
+ public int getWidth()
+ {
+ return maxcol;
+ }
+
+ @Override
+ public int getHeight()
+ {
+ return maxrow;
+ }
+}
--- /dev/null
+package jalview.datamodel;
+
+/**
+ * holds a group set and provides getters and setters for ContactMatrixI
+ * implementations
+ *
+ * @author jprocter
+ */
+public class GroupSetHolder
+{
+
+ GroupSet grps = new GroupSet();
+
+ public GroupSetI getGroupSet()
+ {
+ return grps;
+ }
+
+ public void setGroupSet(GroupSet makeGroups)
+ {
+ grps = makeGroups;
+ }
+
+}
return width;
}
@Override
- protected double getElementAt(int _column, int i)
+ public double getElementAt(int _column, int i)
{
return Math.abs(_column - i);
}
* @return sequence position(s) corresponding to column in contact matrix
*/
int[] getMappedPositionsFor(SequenceI localFrame, int from, int to);
+
+ ContactMatrixI getMappedMatrix();
}
import jalview.datamodel.ContactListI;
import jalview.datamodel.ContactListImpl;
import jalview.datamodel.ContactListProviderI;
+import jalview.datamodel.ContactMatrixI;
import jalview.datamodel.GroupSet;
import jalview.datamodel.GroupSetI;
import jalview.datamodel.Mapping;
public abstract class MappableContactMatrix<T extends MappableContactMatrix<T>>
implements MappableContactMatrixI
{
- SequenceI refSeq = null;
-
- MapList toSeq = null;
-
/**
- * the length that refSeq is expected to be (excluding gaps, of course)
+ * the matrix that is being mapped to
*/
- int length;
+ protected ContactMatrixI mappedMatrix=null;
+
+ public ContactListI getContactList(int column)
+ {
+ return mappedMatrix.getContactList(column);
+ }
+
+ public float getMin()
+ {
+ return mappedMatrix.getMin();
+ }
+
+ public float getMax()
+ {
+ return mappedMatrix.getMax();
+ }
+
+ public int getWidth()
+ {
+ return mappedMatrix.getWidth();
+ }
+
+ public int getHeight()
+ {
+ return mappedMatrix.getHeight();
+ }
@Override
- public boolean hasReferenceSeq()
+ public ContactMatrixI getMappedMatrix()
{
- return (refSeq != null);
+ return mappedMatrix;
}
+
+ @Override
+ public GroupSetI getGroupSet()
+ {
+ return mappedMatrix.getGroupSet();
+ };
@Override
- public SequenceI getReferenceSeq()
+ public void setGroupSet(GroupSet makeGroups)
{
- return refSeq;
+ mappedMatrix.setGroupSet(makeGroups);
}
+
+ /**
+ * the sequence and how it is mapped to the matrix
+ */
+
+ SequenceI refSeq = null;
+
+ MapList toSeq = null;
/**
- * container for groups - defined on matrix columns
+ * the length that refSeq is expected to be (excluding gaps, of course)
*/
- GroupSet grps = new GroupSet();
+ int length;
@Override
- public GroupSetI getGroupSet()
+ public boolean hasReferenceSeq()
{
- return grps;
- };
+ return (refSeq != null);
+ }
@Override
- public void setGroupSet(GroupSet makeGroups)
+ public SequenceI getReferenceSeq()
{
- grps = makeGroups;
+ return refSeq;
}
@Override
}
/**
- * get a specific element of the contact matrix in its data-local coordinates
+ * get a specific element of the underlying contact matrix in its data-local coordinates
* rather than the mapped frame. Implementations are allowed to throw
* RunTimeExceptions if _column/i are out of bounds
*
* @param i
* @return
*/
- protected abstract double getElementAt(int _column, int i);
+ public double getElementAt(int _column, int i) {
+ return mappedMatrix.getElementAt(_column, i);
+ }
}
import jalview.datamodel.ContactListImpl;
import jalview.datamodel.ContactListProviderI;
import jalview.datamodel.ContactMatrixI;
+import jalview.datamodel.FloatContactMatrix;
import jalview.datamodel.GroupSet;
import jalview.datamodel.SequenceDummy;
import jalview.datamodel.SequenceI;
{
- int maxrow = 0, maxcol = 0;
-
-
- float[][] elements;
-
- float maxscore;
-
-
@SuppressWarnings("unchecked")
public PAEContactMatrix(SequenceI _refSeq, Map<String, Object> pae_obj)
throws FileFormatException
*/
public PAEContactMatrix(SequenceI _refSeq, float[][] matrix)
{
+ mappedMatrix=new FloatContactMatrix(matrix);
setRefSeq(_refSeq);
- maxcol = 0;
- for (float[] row : matrix)
- {
- if (row.length > maxcol)
- {
- maxcol = row.length;
- }
- maxscore = row[0];
- for (float f : row)
- {
- if (maxscore < f)
- {
- maxscore = f;
- }
- }
- }
- maxrow = matrix.length;
- elements = matrix;
-
}
/**
public PAEContactMatrix(SequenceI newRefSeq, MapList newFromMapList,
float[][] elements2, GroupSet grps2)
{
- this(newRefSeq, elements2);
+ this(newRefSeq, new FloatContactMatrix(elements2,grps2));
+ toSeq = newFromMapList;
+ }
+
+ public PAEContactMatrix(SequenceI _refSeq,
+ ContactMatrixI floatContactMatrix)
+ {
+ mappedMatrix = floatContactMatrix;
+ setRefSeq(_refSeq);
+ }
+ public PAEContactMatrix(SequenceI _refSeq, MapList newFromMapList,
+ ContactMatrixI floatContactMatrix)
+ {
+ mappedMatrix = floatContactMatrix;
+ setRefSeq(_refSeq);
toSeq = newFromMapList;
- grps = grps2;
+ }
+
+ @Override
+ protected PAEContactMatrix newMappableContactMatrix(SequenceI newRefSeq,
+ MapList newFromMapList)
+ {
+ return new PAEContactMatrix(newRefSeq, newFromMapList, mappedMatrix);
}
/**
- * parse a sane JSON representation of the pAE
+ * parse a sane JSON representation of the pAE and update the mappedMatrix
*
* @param pae_obj
*/
@SuppressWarnings("unchecked")
private void parse_version_2_pAE(Map<String, Object> pae_obj)
{
- maxscore = -1;
+ float maxscore = -1;
// look for a maxscore element - if there is one...
try
{
}
List<List<Long>> scoreRows = ((List<List<Long>>) MapUtils
.getFirst(pae_obj, "predicted_aligned_error", "pae"));
- elements = new float[scoreRows.size()][scoreRows.size()];
+ float[][] elements = new float[scoreRows.size()][scoreRows.size()];
int row = 0, col = 0;
for (List<Long> scoreRow : scoreRows)
{
row++;
col = 0;
}
- maxcol = length;
- maxrow = length;
+ mappedMatrix=new FloatContactMatrix(elements);
}
/**
Iterator<Long> rows = ((List<Long>) pae_obj.get("residue1")).iterator();
Iterator<Long> cols = ((List<Long>) pae_obj.get("residue2")).iterator();
// two pass - to allocate the elements array
+
+ int maxrow=-1,maxcol=-1;
while (rows.hasNext())
{
int row = rows.next().intValue();
cols = ((List<Long>) pae_obj.get("residue2")).iterator();
Iterator<Double> scores = ((List<Double>) pae_obj.get("distance"))
.iterator();
- elements = new float[maxcol][maxrow];
+ float[][] elements = new float[maxcol][maxrow];
while (scores.hasNext())
{
float escore = scores.next().floatValue();
elements[col - 1][row-1] = escore;
}
- maxscore = ((Double) MapUtils.getFirst(pae_obj,
- "max_predicted_aligned_error", "max_pae")).floatValue();
- }
-
- /**
- * getContactList(column) @returns the vector of predicted alignment errors
- * for reference position given by column
- */
- @Override
- public ContactListI getContactList(final int column)
- {
- if (column < 0 || column >= elements.length)
- {
- return null;
- }
-
- return new ContactListImpl(new ContactListProviderI()
- {
- @Override
- public int getPosition()
- {
- return column;
- }
-
- @Override
- public int getContactHeight()
- {
- return maxcol - 1;
- }
-
- @Override
- public double getContactAt(int mcolumn)
- {
- if (mcolumn < 0 || mcolumn >= elements[column].length)
- {
- return -1;
- }
- return elements[column][mcolumn];
- }
- });
- }
-
- /**
- * getElementAt(column, i) @returns the predicted superposition error for the
- * ith position when column is used as reference
- */
- @Override
- protected double getElementAt(int _column, int i)
- {
- return elements[_column][i];
- }
-
- @Override
- public float getMin()
- {
- return 0;
- }
-
- @Override
- public float getMax()
- {
- return maxscore;
+ mappedMatrix=new FloatContactMatrix(elements);
}
@Override
return PAEMATRIX;
}
- @Override
- public int getWidth()
- {
- return maxcol;
- }
- @Override
- public int getHeight()
- {
- return maxrow;
- }
public static void validateContactMatrixFile(String fileName)
throws FileFormatException, IOException
{
"No data in PAE matrix read from '" + fileName + "'");
}
}
- @Override
- protected PAEContactMatrix newMappableContactMatrix(SequenceI newRefSeq,
- MapList newFromMapList)
- {
- PAEContactMatrix pae = new PAEContactMatrix(newRefSeq, newFromMapList,
- elements, new GroupSet(grps));
- return pae;
- }
}
git://source.jalview.org / jalview.git / commitdiff