label.view_name_original = Original
label.enter_view_name = Enter View Name
label.enter_label = Enter label
-label.enter_label_for_the_structure = Enter a label for the structure?
+label.enter_label_for_the_structure = Enter a label for the structure
label.pdb_entry_is_already_displayed = {0} is already displayed.\nDo you want to re-use this viewer ?
label.map_sequences_to_visible_window = Map Sequences to Visible Window: {0}
label.add_pdbentry_to_view = Do you want to add {0} to the view called\n{1}\n
label.automatically_associate_pdb_files_by_name = Asociar los ficheros PDB por nombre automáticamente
label.ignore_unmatched_dropped_files_info = Quieres <em>ignorar</em> los {0} ficheros cuyos nombres no coincidan con ningún IDs de las secuencias ?
label.ignore_unmatched_dropped_files = Ignorar los ficheros sin coincidencias?
-label.enter_view_name = Introducir nombre visible (¿?)
+label.enter_view_name = Introduzca un nombre para la vista
label.enter_label = Introducir etiqueta
-label.enter_label_for_the_structure = Introducir una etiqueta para la estructura?
+label.enter_label_for_the_structure = Introducir una etiqueta para la estructura
label.pdb_entry_is_already_displayed = {0} Ya est\u00E1 mostrado.\nQuieres volver a usar este visor?
label.map_sequences_to_visible_window = Mapa de secuencias en ventana visible: {0}
label.add_pdbentry_to_view = Quieres a\u00F1adir {0} a la vista llamada\n{1}\n
import jalview.util.MessageManager;
import java.util.ArrayList;
-import java.util.Arrays;
-import java.util.HashSet;
import java.util.Hashtable;
+import java.util.List;
import java.util.Stack;
import java.util.Vector;
public class Rna
{
- static Hashtable<Integer, Integer> pairHash = new Hashtable();
-
- private static final Character[] openingPars = { '(', '[', '{', '<', 'A',
- 'B', 'C', 'D', 'E', 'F', 'G', 'H', 'I', 'J', 'K', 'L', 'M', 'N', 'O',
- 'P', 'Q', 'R', 'S', 'T', 'U', 'V', 'W', 'X', 'Y', 'Z' };
-
- private static final Character[] closingPars = { ')', ']', '}', '>', 'a',
- 'b', 'c', 'd', 'e', 'f', 'g', 'h', 'i', 'j', 'k', 'l', 'm', 'n', 'o',
- 'p', 'q', 'r', 's', 't', 'u', 'v', 'w', 'x', 'y', 'z' };
-
- private static HashSet<Character> openingParsSet = new HashSet<Character>(
- Arrays.asList(openingPars));
-
- private static HashSet<Character> closingParsSet = new HashSet<Character>(
- Arrays.asList(closingPars));
-
- private static Hashtable<Character, Character> closingToOpening = new Hashtable<Character, Character>()
- // Initializing final data structure
- {
- private static final long serialVersionUID = 1L;
- {
- for (int i = 0; i < openingPars.length; i++)
- {
- // System.out.println(closingPars[i] + "->" + openingPars[i]);
- put(closingPars[i], openingPars[i]);
- }
- }
- };
-
- private static boolean isOpeningParenthesis(char c)
+ /**
+ * Answers true if the character is a valid open pair rna secondary structure
+ * symbol. Currently accepts A-Z, ([{<
+ *
+ * @param c
+ * @return
+ */
+ public static boolean isOpeningParenthesis(char c)
{
- return openingParsSet.contains(c);
+ return ('A' <= c && c <= 'Z' || c == '(' || c == '[' || c == '{' || c == '<');
}
- private static boolean isClosingParenthesis(char c)
+ /**
+ * Answers true if the character is a valid close pair rna secondary structure
+ * symbol. Currently accepts a-z, )]}>
+ *
+ * @param c
+ * @return
+ */
+ public static boolean isClosingParenthesis(char c)
{
- return closingParsSet.contains(c);
+ return ('a' <= c && c <= 'z' || c == ')' || c == ']' || c == '}' || c == '>');
}
- private static char matchingOpeningParenthesis(char closingParenthesis)
- throws WUSSParseException
+ /**
+ * Returns the matching open pair symbol for the given closing symbol.
+ * Currently returns A-Z for a-z, or ([{< for )]}>, or the input symbol if it
+ * is not a valid closing symbol.
+ *
+ * @param c
+ * @return
+ */
+ public static char getMatchingOpeningParenthesis(char c)
{
- if (!isClosingParenthesis(closingParenthesis))
+ if ('a' <= c && c <= 'z')
{
- throw new WUSSParseException(
- MessageManager.formatMessage(
- "exception.querying_matching_opening_parenthesis_for_non_closing_parenthesis",
- new String[] { new StringBuffer(closingParenthesis)
- .toString() }), -1);
+ return (char) (c + 'A' - 'a');
+ }
+ switch (c)
+ {
+ case ')':
+ return '(';
+ case ']':
+ return '[';
+ case '}':
+ return '{';
+ case '>':
+ return '<';
+ default:
+ return c;
}
-
- return closingToOpening.get(closingParenthesis);
}
/**
* Based off of RALEE code ralee-get-base-pairs. Keeps track of open bracket
* positions in "stack" vector. When a close bracket is reached, pair this
- * with the last element in the "stack" vector and store in "pairs" vector.
- * Remove last element in the "stack" vector. Continue in this manner until
- * the whole string is processed.
+ * with the last matching element in the "stack" vector and store in "pairs"
+ * vector. Remove last element in the "stack" vector. Continue in this manner
+ * until the whole string is processed. Parse errors are thrown as exceptions
+ * wrapping the error location - position of the first unmatched closing
+ * bracket, or string length if there is an unmatched opening bracket.
*
* @param line
* Secondary structure line of an RNA Stockholm file
- * @return Array of SequenceFeature; type = RNA helix, begin is open base
- * pair, end is close base pair
+ * @return
+ * @throw {@link WUSSParseException}
*/
- public static Vector<SimpleBP> GetSimpleBPs(CharSequence line)
+ public static Vector<SimpleBP> getSimpleBPs(CharSequence line)
throws WUSSParseException
{
Hashtable<Character, Stack<Integer>> stacks = new Hashtable<Character, Stack<Integer>>();
else if (isClosingParenthesis(base))
{
- char opening = matchingOpeningParenthesis(base);
+ char opening = getMatchingOpeningParenthesis(base);
if (!stacks.containsKey(opening))
{
throw new WUSSParseException(MessageManager.formatMessage(
"exception.mismatched_unseen_closing_char",
- new String[] { new StringBuffer(base).toString() }), i);
+ new String[] { String.valueOf(base) }), i);
}
Stack<Integer> stack = stacks.get(opening);
// error whilst parsing i'th position. pass back
throw new WUSSParseException(MessageManager.formatMessage(
"exception.mismatched_closing_char",
- new String[] { new StringBuffer(base).toString() }), i);
+ new String[] { String.valueOf(base) }), i);
}
int temp = stack.pop();
Stack<Integer> stack = stacks.get(opening);
if (!stack.empty())
{
+ /*
+ * we have an unmatched opening bracket; report error as at
+ * i (length of input string)
+ */
throw new WUSSParseException(MessageManager.formatMessage(
"exception.mismatched_opening_char",
- new String[] { new StringBuffer(opening).toString(),
- Integer.valueOf(stack.pop()).toString() }), i);
+ new String[] { String.valueOf(opening),
+ String.valueOf(stack.pop()) }), i);
}
}
return pairs;
}
- public static SequenceFeature[] GetBasePairs(CharSequence line)
+ public static SequenceFeature[] getBasePairs(List<SimpleBP> bps)
throws WUSSParseException
{
- Vector<SimpleBP> bps = GetSimpleBPs(line);
SequenceFeature[] outPairs = new SequenceFeature[bps.size()];
for (int p = 0; p < bps.size(); p++)
{
- SimpleBP bp = bps.elementAt(p);
+ SimpleBP bp = bps.get(p);
outPairs[p] = new SequenceFeature("RNA helix", "", "", bp.getBP5(),
bp.getBP3(), "");
}
return outPairs;
}
- public static ArrayList<SimpleBP> GetModeleBP(CharSequence line)
+ public static List<SimpleBP> getModeleBP(CharSequence line)
throws WUSSParseException
{
- Vector<SimpleBP> bps = GetSimpleBPs(line);
+ Vector<SimpleBP> bps = getSimpleBPs(line);
return new ArrayList<SimpleBP>(bps);
}
int close; // Position of a close bracket under review
int j; // Counter
- Hashtable helices = new Hashtable(); // Keep track of helix number for each
- // position
+ Hashtable<Integer, Integer> helices = new Hashtable<Integer, Integer>();
+ // Keep track of helix number for each position
// Go through each base pair and assign positions a helix
for (i = 0; i < pairs.length; i++)
if ((popen < lastopen) && (popen > open))
{
if (helices.containsValue(popen)
- && (((Integer) helices.get(popen)) == helix))
+ && ((helices.get(popen)) == helix))
{
continue;
}
}
}
+
+ /**
+ * Answers true if the character is a recognised symbol for RNA secondary
+ * structure. Currently accepts a-z, A-Z, ()[]{}<>.
+ *
+ * @param c
+ * @return
+ */
+ public static boolean isRnaSecondaryStructureSymbol(char c)
+ {
+ return isOpeningParenthesis(c) || isClosingParenthesis(c);
+ }
+
+ /**
+ * Translates a string to RNA secondary structure representation. Returns the
+ * string with any non-SS characters changed to spaces. Accepted characters
+ * are a-z, A-Z, and (){}[]<> brackets.
+ *
+ * @param ssString
+ * @return
+ */
+ public static String getRNASecStrucState(String ssString)
+ {
+ if (ssString == null)
+ {
+ return null;
+ }
+ StringBuilder result = new StringBuilder(ssString.length());
+ for (int i = 0; i < ssString.length(); i++)
+ {
+ char c = ssString.charAt(i);
+ result.append(isRnaSecondaryStructureSymbol(c) ? c : " ");
+ }
+ return result.toString();
+ }
+
+ /**
+ * Answers true if the base-pair is either a canonical (A-T/U, C-G) or a
+ * wobble (G-T/U) pair (either way round), else false
+ *
+ * @param first
+ * @param second
+ * @return
+ */
+ public static boolean isCanonicalOrWobblePair(char first, char second)
+ {
+ if (first > 'Z')
+ {
+ first -= 32;
+ }
+ if (second > 'Z')
+ {
+ second -= 32;
+ }
+
+ switch (first)
+ {
+ case 'A':
+ switch (second)
+ {
+ case 'T':
+ case 'U':
+ return true;
+ }
+ break;
+ case 'C':
+ switch (second)
+ {
+ case 'G':
+ return true;
+ }
+ break;
+ case 'T':
+ case 'U':
+ switch (second)
+ {
+ case 'A':
+ case 'G':
+ return true;
+ }
+ break;
+ case 'G':
+ switch (second)
+ {
+ case 'C':
+ case 'T':
+ case 'U':
+ return true;
+ }
+ break;
+ }
+ return false;
+ }
+
+ /**
+ * Returns the matching close pair symbol for the given opening symbol.
+ * Currently returns a-z for A-Z, or )]}> for ([{<, or the input symbol if it
+ * is not a valid opening symbol.
+ *
+ * @param c
+ * @return
+ */
+ public static char getMatchingClosingParenthesis(char c)
+ {
+ if ('A' <= c && c <= 'Z')
+ {
+ return (char) (c + 'a' - 'A');
+ }
+ switch (c)
+ {
+ case '(':
+ return ')';
+ case '[':
+ return ']';
+ case '{':
+ return '}';
+ case '<':
+ return '>';
+ default:
+ return c;
+ }
+ }
}
import jalview.datamodel.Annotation;
import jalview.datamodel.SequenceFeature;
import jalview.datamodel.SequenceI;
+import jalview.util.Comparison;
import jalview.util.Format;
import java.util.ArrayList;
SequenceFeature[] rna = rnaStruc._rnasecstr;
char c, s, cEnd;
- int count = 0, nonGap = 0, i, bpEnd = -1, j, jSize = sequences.length;
+ int bpEnd = -1;
+ int jSize = sequences.length;
int[] values;
int[][] pairs;
float percentage;
- boolean wooble = true;
- for (i = start; i < end; i++) // foreach column
+
+ for (int i = start; i < end; i++) // foreach column
{
- residueHash = new Hashtable();
+ int canonicalOrWobblePairCount = 0;
+ int otherPairCount = 0;
maxResidue = "-";
values = new int[255];
pairs = new int[255][255];
bpEnd = -1;
- // System.out.println("s="+struc[i]);
if (i < struc.length)
{
s = struc[i];
-
}
else
{
s = '-';
}
- if (s != '(' && s != '[')
+ if (!Rna.isOpeningParenthesis(s))
{
if (s == '-')
{
}
else
{
-
bpEnd = findPair(rna, i);
if (bpEnd > -1)
{
- for (j = 0; j < jSize; j++) // foreach row
+ for (int j = 0; j < jSize; j++) // foreach row
{
if (sequences[j] == null)
{
.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 == ' ')
- {
- c = '-';
- }
+ c = sequences[j].getCharAt(i);
+ cEnd = sequences[j].getCharAt(bpEnd);
- if (c == '-')
+ if (Comparison.isGap(c) || Comparison.isGap(cEnd))
{
values['-']++;
continue;
}
- cEnd = sequences[j].getCharAt(bpEnd);
- // System.out.println("pairs ="+c+","+cEnd);
- if (checkBpType(c, cEnd) == true)
+ /*
+ * ensure upper-case for counting purposes
+ */
+ if ('a' <= c && 'z' >= c)
+ {
+ c += 'A' - 'a';
+ }
+ if ('a' <= cEnd && 'z' >= cEnd)
+ {
+ cEnd += 'A' - 'a';
+ }
+ if (Rna.isCanonicalOrWobblePair(c, cEnd))
{
- values['(']++; // H means it's a helix (structured)
+ values['(']++;
maxResidue = "(";
- wooble = true;
- // System.out.println("It's a pair wc");
-
+ canonicalOrWobblePairCount++;
}
- if (checkBpType(c, cEnd) == false)
+ else
{
- wooble = false;
- values['[']++; // H means it's a helix (structured)
+ values['[']++;
maxResidue = "[";
-
+ otherPairCount++;
}
pairs[c][cEnd]++;
-
}
}
// nonGap++;
}
- // UPDATE this for new values
+
+ residueHash = new Hashtable();
if (profile)
{
// TODO 1-dim array with jsize in [0], nongapped in [1]; or Pojo
residueHash.put(PAIRPROFILE, pairs);
}
- if (wooble == true)
- {
- count = values['('];
- }
- if (wooble == false)
+
+ /*
+ * the count is the number of valid pairs (as a percentage, determines
+ * the relative size of the profile logo)
+ */
+ int count = canonicalOrWobblePairCount;
+
+ /*
+ * currently displaying as '(' if most pairs are valid, or as
+ * '[' if there are more invalid than valid pairs
+ */
+ if (!maxResidue.equals("-"))
{
- count = values['['];
+ maxResidue = canonicalOrWobblePairCount >= otherPairCount ? "("
+ : "[";
}
residueHash.put(MAXCOUNT, new Integer(count));
residueHash.put(MAXRESIDUE, maxResidue);
values[']'] = values['['];
values['('] = 0;
values['['] = 0;
+ maxResidue = maxResidue.equals("(") ? ")" : "]";
+
residueHash = new Hashtable();
- if (wooble == true)
- {
- // System.out.println(maxResidue+","+wooble);
- maxResidue = ")";
- }
- if (wooble == false)
- {
- // System.out.println(maxResidue+","+wooble);
- maxResidue = "]";
- }
if (profile)
{
residueHash.put(PROFILE, new int[][] { values,
residueHash.put(PID_GAPS, new Float(percentage));
result[bpEnd] = residueHash;
-
- }
- }
- }
-
- /**
- * Method to check if a base-pair is a canonical or a wobble bp
- *
- * @param up
- * 5' base
- * @param down
- * 3' base
- * @return True if it is a canonical/wobble bp
- */
- public static boolean checkBpType(char up, char down)
- {
- if (up > 'Z')
- {
- up -= 32;
- }
- if (down > 'Z')
- {
- down -= 32;
- }
-
- switch (up)
- {
- case 'A':
- switch (down)
- {
- case 'T':
- return true;
- case 'U':
- return true;
- }
- break;
- case 'C':
- switch (down)
- {
- case 'G':
- return true;
- }
- break;
- case 'T':
- switch (down)
- {
- case 'A':
- return true;
- case 'G':
- return true;
- }
- break;
- case 'G':
- switch (down)
- {
- case 'C':
- return true;
- case 'T':
- return true;
- case 'U':
- return true;
- }
- break;
- case 'U':
- switch (down)
- {
- case 'A':
- return true;
- case 'G':
- return true;
}
- break;
}
- return false;
}
/**
for (String j : test)
{
System.out.println(i + "-" + j + ": "
- + StructureFrequency.checkBpType(i.charAt(0), j.charAt(0)));
+ + Rna.isCanonicalOrWobblePair(i.charAt(0), j.charAt(0)));
}
}
}
import jalview.schemes.ResidueProperties;
import jalview.util.Comparison;
import jalview.util.MessageManager;
+import jalview.util.Platform;
import java.awt.Color;
import java.awt.Dimension;
public AnnotationPanel(AlignmentPanel ap)
{
- MAC = new jalview.util.Platform().isAMac();
+ new jalview.util.Platform();
+ MAC = Platform.isAMac();
this.ap = ap;
av = ap.av;
setLayout(null);
else if (evt.getActionCommand().equals(STEM))
{
type = 'S';
- symbol = "\u03C3";
+ int column = av.getColumnSelection().getSelectedRanges().get(0)[0];
+ symbol = aa[activeRow].getDefaultRnaHelixSymbol(column);
}
if (!aa[activeRow].hasIcons)
if ((evt.getModifiers() & InputEvent.BUTTON3_MASK) == InputEvent.BUTTON3_MASK
&& activeRow != -1)
{
- if (av.getColumnSelection() == null)
+ if (av.getColumnSelection() == null
+ || av.getColumnSelection().isEmpty())
{
return;
}
PopupMenu pop = new PopupMenu(
MessageManager.getString("label.structure_type"));
MenuItem item;
- /*
- * Just display the needed structure options
- */
- if (av.getAlignment().isNucleotide() == true)
+
+ if (av.getAlignment().isNucleotide())
{
item = new MenuItem(STEM);
item.addActionListener(this);
import jalview.analysis.SecStrConsensus.SimpleBP;
import jalview.analysis.WUSSParseException;
-import java.util.ArrayList;
import java.util.Collection;
import java.util.Collections;
import java.util.HashMap;
import java.util.Iterator;
+import java.util.List;
import java.util.Map;
import java.util.Map.Entry;
/** Array of annotations placed in the current coordinate system */
public Annotation[] annotations;
- public ArrayList<SimpleBP> bps = null;
+ public List<SimpleBP> bps = null;
/**
* RNA secondary structure contact positions
{
try
{
- _rnasecstr = Rna.GetBasePairs(RNAannot);
- bps = Rna.GetModeleBP(RNAannot);
+ bps = Rna.getModeleBP(RNAannot);
+ _rnasecstr = Rna.getBasePairs(bps);
invalidrnastruc = -1;
} catch (WUSSParseException px)
{
// JBPNote: what does this do ?
public void ConcenStru(CharSequence RNAannot) throws WUSSParseException
{
- bps = Rna.GetModeleBP(RNAannot);
+ bps = Rna.getModeleBP(RNAannot);
}
/**
this(0, annotations.length);
}
- public AnnotCharSequence(int start, int end)
+ AnnotCharSequence(int start, int end)
{
offset = start;
max = end;
if (annotations == null)
{
visible = false; // try to prevent renderer from displaying.
+ invalidrnastruc = -1;
return; // this is a non-annotation row annotation - ie a sequence score.
}
this.annotationId = ANNOTATION_ID_PREFIX + Long.toString(nextId());
}
+ /**
+ * Returns the match for the last unmatched opening RNA helix pair symbol
+ * preceding the given column, or '(' if nothing found to match.
+ *
+ * @param column
+ * @return
+ */
+ public String getDefaultRnaHelixSymbol(int column)
+ {
+ String result = "(";
+ if (annotations == null)
+ {
+ return result;
+ }
+
+ /*
+ * for each preceding column, if it contains an open bracket,
+ * count whether it is still unmatched at column, if so return its pair
+ * (likely faster than the fancy alternative using stacks)
+ */
+ for (int col = column - 1; col >= 0; col--)
+ {
+ Annotation annotation = annotations[col];
+ if (annotation == null)
+ {
+ continue;
+ }
+ String displayed = annotation.displayCharacter;
+ if (displayed == null || displayed.length() != 1)
+ {
+ continue;
+ }
+ char symbol = displayed.charAt(0);
+ if (!Rna.isOpeningParenthesis(symbol))
+ {
+ continue;
+ }
+
+ /*
+ * found an opening bracket symbol
+ * count (closing-opening) symbols of this type that follow it,
+ * up to and excluding the target column; if the count is less
+ * than 1, the opening bracket is unmatched, so return its match
+ */
+ String closer = String.valueOf(Rna
+ .getMatchingClosingParenthesis(symbol));
+ String opener = String.valueOf(symbol);
+ int count = 0;
+ for (int j = col + 1; j < column; j++)
+ {
+ if (annotations[j] != null)
+ {
+ String s = annotations[j].displayCharacter;
+ if (closer.equals(s))
+ {
+ count++;
+ }
+ else if (opener.equals(s))
+ {
+ count--;
+ }
+ }
+ }
+ if (count < 1)
+ {
+ return closer;
+ }
+ }
+ return result;
+ }
+
protected static synchronized long nextId()
{
return counter++;
aa[activeRow].annotations = anot;
}
- if (evt.getActionCommand().equals(REMOVE))
+ String action = evt.getActionCommand();
+ if (action.equals(REMOVE))
{
for (int index : av.getColumnSelection().getSelected())
{
}
}
}
- else if (evt.getActionCommand().equals(LABEL))
+ else if (action.equals(LABEL))
{
String exMesg = collectAnnotVals(anot, LABEL);
String label = JOptionPane.showInputDialog(this,
if (anot[index] == null)
{
- anot[index] = new Annotation(label, "", ' ', 0); // TODO: verify that
- // null exceptions
- // aren't raised
- // elsewhere.
+ anot[index] = new Annotation(label, "", ' ', 0);
}
else
{
}
}
}
- else if (evt.getActionCommand().equals(COLOUR))
+ else if (action.equals(COLOUR))
{
Color col = JColorChooser.showDialog(this,
MessageManager.getString("label.select_foreground_colour"),
// HELIX, SHEET or STEM
{
char type = 0;
- String symbol = "\u03B1";
+ String symbol = "\u03B1"; // alpha
- if (evt.getActionCommand().equals(HELIX))
+ if (action.equals(HELIX))
{
type = 'H';
}
- else if (evt.getActionCommand().equals(SHEET))
+ else if (action.equals(SHEET))
{
type = 'E';
- symbol = "\u03B2";
+ symbol = "\u03B2"; // beta
}
// Added by LML to color stems
- else if (evt.getActionCommand().equals(STEM))
+ else if (action.equals(STEM))
{
type = 'S';
- symbol = "\u03C3";
+ int column = av.getColumnSelection().getSelectedRanges().get(0)[0];
+ symbol = aa[activeRow].getDefaultRnaHelixSymbol(column);
}
if (!aa[activeRow].hasIcons)
if ((label.length() > 0) && !aa[activeRow].hasText)
{
aa[activeRow].hasText = true;
- if (evt.getActionCommand().equals(STEM))
+ if (action.equals(STEM))
{
aa[activeRow].showAllColLabels = true;
}
if (evt.isPopupTrigger() && activeRow != -1)
{
- if (av.getColumnSelection() == null)
+ if (av.getColumnSelection() == null
+ || av.getColumnSelection().isEmpty())
{
return;
}
/*
* Just display the needed structure options
*/
- if (av.getAlignment().isNucleotide() == true)
+ if (av.getAlignment().isNucleotide())
{
item = new JMenuItem(STEM);
item.addActionListener(this);
return;
}
- if (aa == null)
- {
- return;
- }
-
ap.getScalePanel().mousePressed(evt);
}
*/
package jalview.io;
-import jalview.analysis.SecStrConsensus.SimpleBP;
+import jalview.analysis.Rna;
import jalview.datamodel.AlignmentAnnotation;
import jalview.datamodel.Annotation;
import jalview.datamodel.Sequence;
import java.io.FileReader;
import java.io.IOException;
import java.util.ArrayList;
+import java.util.List;
import com.stevesoft.pat.Regex;
*
* @see jalview.io.AlignFile#parse()
*/
+ @Override
public void parse() throws IOException
{
if (System.getProperty("java.version").indexOf("1.6") > -1
result = RNAFactory.loadSecStrRNAML(getReader());
- ArrayList<ArrayList> allarray = new ArrayList();
- ArrayList<ArrayList<SimpleBP>> BP = new ArrayList();
- ArrayList strucinarray = new ArrayList();
- SequenceI[] seqs = new SequenceI[result.size()];
+ // ArrayList<ArrayList> allarray = new ArrayList();
+ // ArrayList<ArrayList<SimpleBP>> BP = new ArrayList();
+ // ArrayList strucinarray = new ArrayList();
+ SequenceI[] sqs = new SequenceI[result.size()];
for (int i = 0; i < result.size(); i++)
{
id += "." + i;
}
}
- seqs[i] = new Sequence(id, seq, begin, end);
+ sqs[i] = new Sequence(id, seq, begin, end);
- seqs[i].setEnd(seqs[i].findPosition(seqs[i].getLength()));
+ sqs[i].setEnd(sqs[i].findPosition(sqs[i].getLength()));
String[] annot = new String[rna.length()];
Annotation[] ann = new Annotation[rna.length()];
}
for (int k = 0; k < rna.length(); k++)
{
- ann[k] = new Annotation(annot[k], "",
- jalview.schemes.ResidueProperties.getRNASecStrucState(
- annot[k]).charAt(0), 0f);
+ ann[k] = new Annotation(annot[k], "", Rna.getRNASecStrucState(
+ annot[k]).charAt(0), 0f);
}
AlignmentAnnotation align = new AlignmentAnnotation(
+ current.getID()
: "", ann);
- seqs[i].addAlignmentAnnotation(align);
- seqs[i].setRNA(result.get(i));
+ sqs[i].addAlignmentAnnotation(align);
+ sqs[i].setRNA(result.get(i));
- allarray.add(strucinarray);
+ // allarray.add(strucinarray);
annotations.addElement(align);
- BP.add(align.bps);
+ // BP.add(align.bps);
}
- setSeqs(seqs);
+ setSeqs(sqs);
}
public static String print(SequenceI[] s)
return "not yet implemented";
}
+ @Override
public String print()
{
System.out.print("print :");
return print(getSeqsAsArray());
}
- public ArrayList getRNA()
+ public List<RNA> getRNA()
{
return result;
}
*/
package jalview.io;
+import jalview.analysis.Rna;
import jalview.datamodel.AlignmentAnnotation;
import jalview.datamodel.AlignmentI;
import jalview.datamodel.Annotation;
import jalview.datamodel.Sequence;
import jalview.datamodel.SequenceFeature;
import jalview.datamodel.SequenceI;
+import jalview.schemes.ResidueProperties;
import jalview.util.Format;
import jalview.util.MessageManager;
*/
public class StockholmFile extends AlignFile
{
- // static Logger logger = Logger.getLogger("jalview.io.StockholmFile");
- protected ArrayList<RNA> result;
+ private static final Regex OPEN_PAREN = new Regex("(<|\\[)", "(");
+
+ private static final Regex CLOSE_PAREN = new Regex("(>|\\])", ")");
+
+ private static final Regex DETECT_BRACKETS = new Regex(
+ "(<|>|\\[|\\]|\\(|\\))");
StringBuffer out; // output buffer
fr = new FileReader(inFile);
BufferedReader r = new BufferedReader(fr);
- result = null;
+ List<RNA> result = null;
try
{
result = RNAFactory.loadSecStrStockholm(r);
for (int k = 0; k < rna.length(); k++)
{
- ann[k] = new Annotation(annot[k], "",
- jalview.schemes.ResidueProperties.getRNASecStrucState(
- annot[k]).charAt(0), 0f);
+ ann[k] = new Annotation(annot[k], "", Rna.getRNASecStrucState(
+ annot[k]).charAt(0), 0f);
}
AlignmentAnnotation align = new AlignmentAnnotation("Sec. str.",
}
protected static AlignmentAnnotation parseAnnotationRow(
- Vector annotation, String label, String annots)
+ Vector<AlignmentAnnotation> annotation, String label,
+ String annots)
{
String convert1, convert2 = null;
- // Convert all bracket types to parentheses
- Regex openparen = new Regex("(<|\\[)", "(");
- Regex closeparen = new Regex("(>|\\])", ")");
-
- // Detect if file is RNA by looking for bracket types
- Regex detectbrackets = new Regex("(<|>|\\[|\\]|\\(|\\))");
-
- convert1 = openparen.replaceAll(annots);
- convert2 = closeparen.replaceAll(convert1);
+ convert1 = OPEN_PAREN.replaceAll(annots);
+ convert2 = CLOSE_PAREN.replaceAll(convert1);
annots = convert2;
String type = label;
{
// if (" .-_".indexOf(pos) == -1)
{
- if (detectbrackets.search(pos))
+ if (DETECT_BRACKETS.search(pos))
{
- ann.secondaryStructure = jalview.schemes.ResidueProperties
- .getRNASecStrucState(pos).charAt(0);
+ ann.secondaryStructure = Rna.getRNASecStrucState(
+ pos).charAt(0);
}
else
{
- ann.secondaryStructure = jalview.schemes.ResidueProperties
- .getDssp3state(pos).charAt(0);
+ ann.secondaryStructure = ResidueProperties.getDssp3state(pos)
+ .charAt(0);
}
if (ann.secondaryStructure == pos.charAt(0))
els[i] = ann;
}
AlignmentAnnotation annot = null;
- Enumeration e = annotation.elements();
+ Enumeration<AlignmentAnnotation> e = annotation.elements();
while (e.hasMoreElements())
{
- annot = (AlignmentAnnotation) e.nextElement();
+ annot = e.nextElement();
if (annot.label.equals(type))
{
break;
}
private static Hashtable typeIds = null;
+
static
{
if (typeIds == null)
import jalview.analysis.AAFrequency;
import jalview.analysis.CodingUtils;
+import jalview.analysis.Rna;
import jalview.analysis.StructureFrequency;
import jalview.api.AlignViewportI;
import jalview.datamodel.AlignmentAnnotation;
import java.util.BitSet;
import java.util.Hashtable;
-import com.stevesoft.pat.Regex;
-
public class AnnotationRenderer
{
private static final int UPPER_TO_LOWER = 'a' - 'A'; // 32
this.debugRedraw = debugRedraw;
}
- public void drawStemAnnot(Graphics g, Annotation[] row_annotations,
+ void drawStemAnnot(Graphics g, Annotation[] row_annotations,
int lastSSX, int x, int y, int iconOffset, int startRes,
int column, boolean validRes, boolean validEnd)
{
int sCol = (lastSSX / charWidth) + startRes;
int x1 = lastSSX;
int x2 = (x * charWidth);
- Regex closeparen = new Regex("(\\))");
char dc = (column == 0 || row_annotations[column - 1] == null) ? ' '
: row_annotations[column - 1].secondaryStructure;
boolean diffdownstream = !validRes || !validEnd
|| row_annotations[column] == null
|| dc != row_annotations[column].secondaryStructure;
- // System.out.println("Column "+column+" diff up: "+diffupstream+" down:"+diffdownstream);
- // If a closing base pair half of the stem, display a backward arrow
- if (column > 0 && ResidueProperties.isCloseParenRNA(dc))
- {
+ if (column > 0 && Rna.isClosingParenthesis(dc))
+ {
if (diffupstream)
// if (validRes && column>1 && row_annotations[column-2]!=null &&
// dc.equals(row_annotations[column-2].displayCharacter))
{
+ /*
+ * if new annotation with a closing base pair half of the stem,
+ * display a backward arrow
+ */
g.fillPolygon(new int[] { lastSSX + 5, lastSSX + 5, lastSSX },
new int[] { y + iconOffset, y + 14 + iconOffset,
y + 8 + iconOffset }, 3);
}
else
{
-
// display a forward arrow
if (diffdownstream)
{
+ /*
+ * if annotation ending with an opeing base pair half of the stem,
+ * display a forward arrow
+ */
g.fillPolygon(new int[] { x2 - 5, x2 - 5, x2 }, new int[] {
y + iconOffset, y + 14 + iconOffset, y + 8 + iconOffset }, 3);
x2 -= 5;
*/
private boolean canClip = false;
- public void drawNotCanonicalAnnot(Graphics g, Color nonCanColor,
+ void drawNotCanonicalAnnot(Graphics g, Color nonCanColor,
Annotation[] row_annotations, int lastSSX, int x, int y,
int iconOffset, int startRes, int column, boolean validRes,
boolean validEnd)
int sCol = (lastSSX / charWidth) + startRes;
int x1 = lastSSX;
int x2 = (x * charWidth);
- Regex closeparen = new Regex("}|]|<|[a-z]");
String dc = (column == 0 || row_annotations[column - 1] == null) ? ""
: row_annotations[column - 1].displayCharacter;
|| !dc.equals(row_annotations[column].displayCharacter);
// System.out.println("Column "+column+" diff up: "+diffupstream+" down:"+diffdownstream);
// If a closing base pair half of the stem, display a backward arrow
- if (column > 0 && closeparen.search(dc))// closeletter_b.search(dc)||closeletter_c.search(dc)||closeletter_d.search(dc)||closecrochet.search(dc))
- // )
+ if (column > 0 && Rna.isClosingParenthesis(dc.charAt(0)))
{
if (diffupstream)
* @param column
* @return
*/
- public int[] getProfileFor(AlignmentAnnotation aa, int column)
+ int[] getProfileFor(AlignmentAnnotation aa, int column)
{
// TODO : consider refactoring the global alignment calculation
// properties/rendering attributes as a global 'alignment group' which holds
private Color sdNOTCANONICAL_COLOUR;
- public void drawGlyphLine(Graphics g, Annotation[] row, int lastSSX,
+ void drawGlyphLine(Graphics g, Annotation[] row, int lastSSX,
int x, int y, int iconOffset, int startRes, int column,
boolean validRes, boolean validEnd)
{
g.fillRect(lastSSX, y + 6 + iconOffset, (x * charWidth) - lastSSX, 2);
}
- public void drawSheetAnnot(Graphics g, Annotation[] row,
+ void drawSheetAnnot(Graphics g, Annotation[] row,
int lastSSX, int x, int y, int iconOffset, int startRes, int column,
boolean validRes, boolean validEnd)
}
- public void drawHelixAnnot(Graphics g, Annotation[] row, int lastSSX,
+ void drawHelixAnnot(Graphics g, Annotation[] row, int lastSSX,
int x, int y, int iconOffset, int startRes, int column,
boolean validRes, boolean validEnd)
{
g.fillRect(x1, y + 4 + iconOffset, x2 - x1, 8);
}
- public void drawLineGraph(Graphics g, AlignmentAnnotation _aa,
+ void drawLineGraph(Graphics g, AlignmentAnnotation _aa,
Annotation[] aa_annotations, int sRes, int eRes, int y,
float min, float max, int graphHeight)
{
}
}
- public void drawBarGraph(Graphics g, AlignmentAnnotation _aa,
+ void drawBarGraph(Graphics g, AlignmentAnnotation _aa,
Annotation[] aa_annotations, int sRes, int eRes, float min,
float max, int y, boolean renderHistogram, boolean renderProfile,
boolean normaliseProfile)
scl = htn * scale * profl[c++];
lm = ofont.getLineMetrics(dc, 0, 1, g.getFontMetrics()
.getFontRenderContext());
- g.setFont(ofont.deriveFont(AffineTransform.getScaleInstance(
- wdth, scl / lm.getAscent())));
+ Font font = ofont.deriveFont(AffineTransform.getScaleInstance(
+ wdth, scl / lm.getAscent()));
+ g.setFont(font);
lm = g.getFontMetrics().getLineMetrics(dc, 0, 1, g);
// Debug - render boxes around characters
return ss.toString();
}
- /**
- * Used by getRNASecStrucState
- *
- */
- public static Hashtable<String, String> toRNAssState;
-
- public static boolean RNAcloseParen[] = new boolean[255];
- static
- {
- toRNAssState = new Hashtable<String, String>();
- toRNAssState.put(")", "(");
- toRNAssState.put("(", "(");
- toRNAssState.put("]", "[");
- toRNAssState.put("[", "[");
- toRNAssState.put("{", "{");
- toRNAssState.put("}", "{");
- toRNAssState.put(">", ">");
- toRNAssState.put("<", ">");
- toRNAssState.put("A", "A");
- toRNAssState.put("a", "A");
- toRNAssState.put("B", "B");
- toRNAssState.put("b", "B");
- toRNAssState.put("C", "C");
- toRNAssState.put("c", "C");
- toRNAssState.put("D", "D");
- toRNAssState.put("d", "D");
- toRNAssState.put("E", "E");
- toRNAssState.put("e", "E");
- toRNAssState.put("F", "F");
- toRNAssState.put("f", "F");
- toRNAssState.put("G", "G");
- toRNAssState.put("g", "G");
- toRNAssState.put("H", "H");
- toRNAssState.put("h", "H");
- toRNAssState.put("I", "I");
- toRNAssState.put("i", "I");
- toRNAssState.put("J", "J");
- toRNAssState.put("j", "J");
- toRNAssState.put("K", "K");
- toRNAssState.put("k", "K");
- toRNAssState.put("L", "L");
- toRNAssState.put("l", "L");
- toRNAssState.put("M", "M");
- toRNAssState.put("m", "M");
- toRNAssState.put("N", "N");
- toRNAssState.put("n", "N");
- toRNAssState.put("O", "O");
- toRNAssState.put("o", "O");
- toRNAssState.put("P", "P");
- toRNAssState.put("p", "P");
- toRNAssState.put("Q", "Q");
- toRNAssState.put("q", "Q");
- toRNAssState.put("R", "R");
- toRNAssState.put("r", "R");
- toRNAssState.put("S", "S");
- toRNAssState.put("s", "S");
- toRNAssState.put("T", "T");
- toRNAssState.put("t", "T");
- toRNAssState.put("U", "U");
- toRNAssState.put("u", "U");
- toRNAssState.put("V", "V");
- toRNAssState.put("v", "V");
- toRNAssState.put("W", "W");
- toRNAssState.put("w", "W");
- toRNAssState.put("X", "X");
- toRNAssState.put("x", "X");
- toRNAssState.put("Y", "Y");
- toRNAssState.put("y", "Y");
- toRNAssState.put("Z", "Z");
- toRNAssState.put("z", "Z");
- for (int p = 0; p < RNAcloseParen.length; p++)
- {
- RNAcloseParen[p] = false;
- }
- for (String k : toRNAssState.keySet())
- {
- RNAcloseParen[k.charAt(0)] = k.charAt(0) != toRNAssState.get(k)
- .charAt(0);
- }
- }
-
static
{
modifications.put("MSE", "MET"); // Selenomethionine
return canonical == null ? aa : canonical;
}
- /**
- * translate to RNA secondary structure representation
- *
- * @param ssstring
- * @return ssstring as a RNA-state secondary structure assignment.
- */
- public static String getRNASecStrucState(String ssstring)
- {
- if (ssstring == null)
- {
- return null;
- }
- StringBuffer ss = new StringBuffer();
- for (int i = 0; i < ssstring.length(); i++)
- {
- String ssc = ssstring.substring(i, i + 1);
- if (toRNAssState.containsKey(ssc))
- {
- // valid ss character - so return it
- ss.append(ssc); // (String) toRNAssState.get(ssc));
- }
- else
- {
- ss.append(" ");
- }
- }
- return ss.toString();
- }
-
- public static boolean isCloseParenRNA(char dc)
- {
- return RNAcloseParen[dc];
- }
-
// main method generates perl representation of residue property hash
// / cut here
public static void main(String[] args)
package jalview.analysis;
import static org.testng.AssertJUnit.assertEquals;
+import static org.testng.AssertJUnit.assertFalse;
+import static org.testng.AssertJUnit.assertNull;
+import static org.testng.AssertJUnit.assertTrue;
import static org.testng.AssertJUnit.fail;
import jalview.analysis.SecStrConsensus.SimpleBP;
public void testGetSimpleBPs() throws WUSSParseException
{
String rna = "([{})]"; // JAL-1081 example
- Vector<SimpleBP> bps = Rna.GetSimpleBPs(rna);
+ Vector<SimpleBP> bps = Rna.getSimpleBPs(rna);
assertEquals(3, bps.size());
/*
* the base pairs are added in the order in which the matching base is found
+ * (popping the stack of unmatched opening brackets)
*/
assertEquals(2, bps.get(0).bp5); // {
assertEquals(3, bps.get(0).bp3); // }
String rna = "(([{})]";
try
{
- Rna.GetSimpleBPs(rna);
+ Rna.getSimpleBPs(rna);
fail("expected exception");
} catch (WUSSParseException e)
{
- // expected
+ // error reported as after end of input string
+ assertEquals(rna.length(), e.getProblemPos());
}
}
@Test(groups = { "Functional" })
public void testGetSimpleBPs_unmatchedCloser()
{
- String rna = "([{})]]";
+ String rna = "([{})]]]";
try
{
- Rna.GetSimpleBPs(rna);
+ Rna.getSimpleBPs(rna);
fail("expected exception");
} catch (WUSSParseException e)
{
- // expected
+ // error reported as at first unmatched close
+ assertEquals(6, e.getProblemPos());
+ }
+
+ /*
+ * a variant where we have no opening bracket of the same type
+ * as the unmatched closing bracket (no stack rather than empty stack)
+ */
+ rna = "((()])";
+ try
+ {
+ Rna.getSimpleBPs(rna);
+ fail("expected exception");
+ } catch (WUSSParseException e)
+ {
+ assertEquals(4, e.getProblemPos());
+ }
+ }
+
+ @Test(groups = { "Functional" })
+ public void testGetRNASecStrucState()
+ {
+ assertNull(Rna.getRNASecStrucState(null));
+ for (int i = 0; i <= 255; i++)
+ {
+ String s = String.valueOf((char) i);
+ String ss = Rna.getRNASecStrucState(s);
+
+ /*
+ * valid SS chars are a-z, A-Z, and various brackets;
+ * anything else is returned as a space
+ */
+ if ((i >= 'a' && i <= 'z') || (i >= 'A' && i <= 'Z')
+ || "()[]{}<>".indexOf(s) > -1)
+ {
+ assertEquals("" + i, s, ss);
+ }
+ else
+ {
+ assertEquals(" ", ss);
+ }
+ }
+
+ /*
+ * a string is processed character by character
+ */
+ assertEquals("a [K ]z} {Q b(w)p><i",
+ Rna.getRNASecStrucState("a.[K-]z}?{Q b(w)p><i"));
+ }
+
+ @Test(groups = { "Functional" })
+ public void testIsClosingParenthesis()
+ {
+ /*
+ * only a-z, )]}> are closing bracket symbols
+ */
+ for (int i = 0; i <= 255; i++)
+ {
+ boolean isClosing = Rna.isClosingParenthesis((char) i);
+ if ((i >= 'a' && i <= 'z') || i == ')' || i == '}' || i == ']'
+ || i == '>')
+ {
+ assertTrue(String.format("close base pair %c", i), isClosing);
+ }
+ else
+ {
+ assertFalse(String.format("close base pair %c", i), isClosing);
+ }
+ }
+ }
+
+ @Test(groups = { "Functional" })
+ public void testIsCanonicalOrWobblePair()
+ {
+ String bases = "acgtuACGTU";
+ for (int i = 0; i < bases.length(); i++)
+ {
+ for (int j = 0; j < bases.length(); j++)
+ {
+ char first = bases.charAt(i);
+ char second = bases.charAt(j);
+ boolean result = Rna.isCanonicalOrWobblePair(first, second);
+ String pair = new String(new char[] { first, second })
+ .toUpperCase();
+ if (pair.equals("AT") || pair.equals("TA") || pair.equals("AU")
+ || pair.equals("UA") || pair.equals("GC")
+ || pair.equals("CG") || pair.equals("GT")
+ || pair.equals("TG") || pair.equals("GU")
+ || pair.equals("UG"))
+ {
+ assertTrue(pair + " should be valid", result);
+ }
+ else
+ {
+ assertFalse(pair + " should be invalid", result);
+ }
+ }
+ }
+ }
+
+ @Test(groups = { "Functional" })
+ public void testIsOpeningParenthesis()
+ {
+ /*
+ * only A-Z, ([{< are opening bracket symbols
+ */
+ for (int i = 0; i <= 255; i++)
+ {
+ boolean isOpening = Rna.isOpeningParenthesis((char) i);
+ if ((i >= 'A' && i <= 'Z') || i == '(' || i == '{' || i == '['
+ || i == '<')
+ {
+ assertTrue(String.format("Open base pair %c", i), isOpening);
+ }
+ else
+ {
+ assertFalse(String.format("Open base pair %c", i), isOpening);
+ }
+ }
+ }
+
+ @Test(groups = { "Functional" })
+ public void testGetMatchingOpeningParenthesis() throws WUSSParseException
+ {
+ for (int i = 0; i <= 255; i++)
+ {
+ boolean isClosing = Rna.isClosingParenthesis((char) i);
+ if (isClosing)
+ {
+ char opening = Rna.getMatchingOpeningParenthesis((char) i);
+ if (i >= 'a' && i <= 'z')
+ {
+ assertEquals(i + 'A' - 'a', opening);
+ }
+ else if (i == ')' && opening == '(' || i == ']' && opening == '['
+ || i == '}' && opening == '{' || i == '>' && opening == '<')
+ {
+ // ok
+ }
+ else
+ {
+ fail("Got " + opening + " as opening bracket pair for "
+ + ((char) i));
+ }
+ }
}
}
}
assertEquals(1, ann.annotations[1].value, 0.001);
assertEquals(2, ann.annotations[2].value, 0.001);
}
-}
+
+ /**
+ * Test the method that defaults rna symbol to the one matching the preceding
+ * unmatched opening bracket (if any)
+ */
+ @Test(groups = { "Functional" })
+ public void testGetDefaultRnaHelixSymbol()
+ {
+ AlignmentAnnotation ann = new AlignmentAnnotation("SS",
+ "secondary structure", null);
+ assertEquals("(", ann.getDefaultRnaHelixSymbol(4));
+
+ Annotation[] anns = new Annotation[20];
+ ann.annotations = anns;
+ assertEquals("(", ann.getDefaultRnaHelixSymbol(4));
+
+ anns[1] = new Annotation("(", "S", '(', 0f);
+ assertEquals("(", ann.getDefaultRnaHelixSymbol(0));
+ assertEquals("(", ann.getDefaultRnaHelixSymbol(1));
+ assertEquals(")", ann.getDefaultRnaHelixSymbol(2));
+ assertEquals(")", ann.getDefaultRnaHelixSymbol(3));
+
+ /*
+ * .(.[.{.<.}.>.).].
+ */
+ anns[1] = new Annotation("(", "S", '(', 0f);
+ anns[3] = new Annotation("[", "S", '[', 0f);
+ anns[5] = new Annotation("{", "S", '{', 0f);
+ anns[7] = new Annotation("<", "S", '<', 0f);
+ anns[9] = new Annotation("}", "S", '}', 0f);
+ anns[11] = new Annotation(">", "S", '>', 0f);
+ anns[13] = new Annotation(")", "S", ')', 0f);
+ anns[15] = new Annotation("]", "S", ']', 0f);
+
+ String expected = "(())]]}}>>>>]]]](";
+ for (int i = 0; i < expected.length(); i++)
+ {
+ assertEquals("column " + i, String.valueOf(expected.charAt(i)),
+ ann.getDefaultRnaHelixSymbol(i));
+ }
+
+ /*
+ * .(.[.(.).{.}.<.].D.
+ */
+ anns[1] = new Annotation("(", "S", '(', 0f);
+ anns[3] = new Annotation("[", "S", '[', 0f);
+ anns[5] = new Annotation("(", "S", '(', 0f);
+ anns[7] = new Annotation(")", "S", ')', 0f);
+ anns[9] = new Annotation("{", "S", '{', 0f);
+ anns[11] = new Annotation("}", "S", '}', 0f);
+ anns[13] = new Annotation("<", "S", '>', 0f);
+ anns[15] = new Annotation("]", "S", ']', 0f);
+ anns[17] = new Annotation("D", "S", 'D', 0f);
+
+ expected = "(())]]))]]}}]]>>>>dd";
+ for (int i = 0; i < expected.length(); i++)
+ {
+ assertEquals("column " + i, String.valueOf(expected.charAt(i)),
+ ann.getDefaultRnaHelixSymbol(i));
+ }
+ }
+}
\ No newline at end of file
git://source.jalview.org / jalview.git / commitdiff