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Merge branch 'master' of github.com:biojava/biojava
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* 'master' of github.com:biojava/biojava: (36 commits)
  Add some tests for negative residue ranges
  Minor javadoc & warnings fixes
  Fix compilation errors from merge
  Fix MultipleAlignmentJmol resizing bug
  Fixed bug where bonds from struct conn records were not made for multiple models.
  Latest ECOD now contains string quotes around some data fields. Need to remove them for junit tests to parse.
  update test for type of group based on comments from @josemduarte
  Fixing cath urls according to their final layout
  [maven-release-plugin]prepare for next development iteration
  [maven-release-plugin]prepare release biojava-4.2.4
  new utility class for chromosome mappings.
  adding new dependency on guava
  new utility class for chromosome mappings.
  new utility class for chromosome mappings.
  Adding test for genome mapping
  Complete new CATH file names biojava#546 and biojava#544
  Fixing biojava#544 and improving logging
  Some work towards fixing biojava#544
  Back-porting cloning fix (see biojava#541) into bugfixes-4.2
  biojava#542 changing default SCOP download location to Berkeley- SCOP.
  ...
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andreasprlic committed Aug 15, 2016
2 parents 3e59d75 + 9c9d82c commit 7d39984
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Showing 12 changed files with 341 additions and 105 deletions.
Original file line number Diff line number Diff line change
Expand Up @@ -39,7 +39,7 @@ public static String formatExonStructure(GeneChromosomePosition chromosomePositi
return formatExonStructureReverse(chromosomePosition);

}


private static String formatExonStructureForward(GeneChromosomePosition chromPos) {

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Original file line number Diff line number Diff line change
Expand Up @@ -201,6 +201,24 @@ public void testGetSubRanges() throws StructureException {
chain = substr.getChainByIndex(0);
assertEquals("Did not find the expected number of residues in "+range, 1, chain.getAtomLength() );


// negative residues
range = "A:-3";
substr = StructureTools.getSubRanges(structure2, range);
assertEquals("Wrong number of chains in "+range, 1, substr.size());
chain = substr.getChainByIndex(0);
assertEquals("Did not find the expected number of residues in "+range, 1, chain.getAtomLength() );
range = "A:-3--1";
substr = StructureTools.getSubRanges(structure2, range);
assertEquals("Wrong number of chains in "+range, 1, substr.size());
chain = substr.getChainByIndex(0);
assertEquals("Did not find the expected number of residues in "+range, 3, chain.getAtomLength() );
range = "A:-3-1";
substr = StructureTools.getSubRanges(structure2, range);
assertEquals("Wrong number of chains in "+range, 1, substr.size());
chain = substr.getChainByIndex(0);
assertEquals("Did not find the expected number of residues in "+range, 4, chain.getAtomLength() );

// Special '-' case
range = "-";
substr = StructureTools.getSubRanges(structure2, range);
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Original file line number Diff line number Diff line change
Expand Up @@ -20,6 +20,7 @@
*/
package org.biojava.nbio.structure.align.gui.jmol;

import java.awt.BorderLayout;
import java.awt.Color;
import java.awt.Container;
import java.awt.Dimension;
Expand All @@ -40,6 +41,7 @@
import javax.swing.JFrame;
import javax.swing.JLabel;
import javax.swing.JMenuBar;
import javax.swing.JPanel;
import javax.swing.JTextField;

import org.biojava.nbio.structure.Atom;
Expand All @@ -56,6 +58,7 @@
import org.biojava.nbio.structure.align.multiple.util.MultipleAlignmentTools;
import org.biojava.nbio.structure.align.multiple.util.MultipleAlignmentWriter;
import org.biojava.nbio.structure.align.webstart.AligUIManager;
import org.biojava.nbio.structure.gui.WrapLayout;
import org.biojava.nbio.structure.jama.Matrix;
import org.forester.archaeopteryx.Archaeopteryx;
import org.forester.phylogeny.Phylogeny;
Expand Down Expand Up @@ -137,14 +140,13 @@ public void windowClosing(WindowEvent e) {
});

Container contentPane = frame.getContentPane();
Box vBox = Box.createVerticalBox();

jmolPanel.addMouseMotionListener(this);
jmolPanel.addMouseListener(this);
jmolPanel
.setPreferredSize(new Dimension(DEFAULT_WIDTH, DEFAULT_HEIGHT));
jmolPanel.setPreferredSize(new Dimension(DEFAULT_WIDTH, DEFAULT_HEIGHT));
contentPane.add(jmolPanel,BorderLayout.CENTER);

vBox.add(jmolPanel);
Box vBox = Box.createVerticalBox();

// / USER SCRIPTING COMMAND
JTextField field = new JTextField();
Expand All @@ -162,8 +164,10 @@ public void windowClosing(WindowEvent e) {
// / STRUCTURE SELECTION
if (multAln != null) {

Box hBox00 = Box.createHorizontalBox();
hBox00.setMaximumSize(new Dimension(Short.MAX_VALUE, 30));
JPanel modelSelection = new JPanel();
modelSelection.setLayout(new WrapLayout(WrapLayout.LEFT));
modelSelection.setSize(new Dimension(DEFAULT_WIDTH,30));
vBox.add(modelSelection);

JButton show = new JButton("Show Only: ");
show.addActionListener(new ActionListener() {
Expand All @@ -184,27 +188,16 @@ public void actionPerformed(ActionEvent e) {
jmolPanel.executeCmd(cmd + " restore selection;");
}
});
hBox00.add(show);
hBox00.add(Box.createGlue());
vBox.add(hBox00);
modelSelection.add(show);

// A line of structures of maximum 5
for (int line = 0; line < 1 + (multAln.size() / 5); line++) {
Box hBox0 = Box.createHorizontalBox();
hBox0.setMaximumSize(new Dimension(Short.MAX_VALUE, 30));

for (int str = line * 5; str < Math.min((line + 1) * 5,
multAln.size()); str++) {
JCheckBox structureSelection = new JCheckBox(multAln
.getEnsemble().getStructureIdentifiers().get(str)
.getIdentifier());
hBox0.add(structureSelection);
hBox0.add(Box.createGlue());
structureSelection.setSelected(true);
selectedStructures.add(structureSelection);
}

vBox.add(hBox0);
// Check boxes for all models
for(int str = 0; str < multAln.size();str++) {
JCheckBox structureSelection = new JCheckBox(multAln
.getEnsemble().getStructureIdentifiers().get(str)
.getIdentifier());
modelSelection.add(structureSelection);
structureSelection.setSelected(true);
selectedStructures.add(structureSelection);
}
}

Expand All @@ -214,35 +207,35 @@ public void actionPerformed(ActionEvent e) {

String[] styles = new String[] { "Cartoon", "Backbone", "CPK",
"Ball and Stick", "Ligands", "Ligands and Pocket" };
JComboBox style = new JComboBox(styles);
JComboBox<String> style = new JComboBox<>(styles);

hBox1.setMaximumSize(new Dimension(Short.MAX_VALUE, 30));

hBox1.add(new JLabel("Style"));
hBox1.add(style);
vBox.add(hBox1);
contentPane.add(vBox);

style.addActionListener(jmolPanel);

String[] colorModes = new String[] { "Secondary Structure", "By Chain",
"Rainbow", "By Element", "By Amino Acid", "Hydrophobicity",
"Suggest Domains", "Show SCOP Domains" };
JComboBox jcolors = new JComboBox(colorModes);
JComboBox<String> jcolors = new JComboBox<>(colorModes);
jcolors.addActionListener(jmolPanel);

hBox1.add(Box.createGlue());
hBox1.add(new JLabel("Color"));
hBox1.add(jcolors);

String[] cPalette = { "Spectral", "Set1", "Set2", "Pastel" };
JComboBox palette = new JComboBox(cPalette);
JComboBox<String> palette = new JComboBox<>(cPalette);

palette.addActionListener(new ActionListener() {
@Override
public void actionPerformed(ActionEvent e) {

JComboBox source = (JComboBox) e.getSource();
@SuppressWarnings("unchecked")
JComboBox<String> source = (JComboBox<String>) e.getSource();
String value = source.getSelectedItem().toString();
evalString("save selection; select *; color grey; "
+ "select ligand; color CPK;");
Expand All @@ -268,6 +261,7 @@ public void actionPerformed(ActionEvent e) {

// / CHECK BOXES
Box hBox2 = Box.createHorizontalBox();
hBox2.setMaximumSize(new Dimension(Short.MAX_VALUE, 30));

JButton resetDisplay = new JButton("Reset Display");
resetDisplay.addActionListener(new ActionListener() {
Expand Down Expand Up @@ -337,7 +331,7 @@ public void itemStateChanged(ItemEvent e) {

vBox.add(hBox);

contentPane.add(vBox);
contentPane.add(vBox,BorderLayout.SOUTH);
MyJmolStatusListener li = (MyJmolStatusListener) jmolPanel
.getStatusListener();

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Original file line number Diff line number Diff line change
@@ -0,0 +1,195 @@
package org.biojava.nbio.structure.gui;

import java.awt.*;
import javax.swing.JScrollPane;
import javax.swing.SwingUtilities;

/**
* FlowLayout subclass that fully supports wrapping of components.
*
* Originally written by Rob Camick
* https://tips4java.wordpress.com/2008/11/06/wrap-layout/
*/
public class WrapLayout extends FlowLayout
{
private Dimension preferredLayoutSize;

/**
* Constructs a new <code>WrapLayout</code> with a left
* alignment and a default 5-unit horizontal and vertical gap.
*/
public WrapLayout()
{
super();
}

/**
* Constructs a new <code>FlowLayout</code> with the specified
* alignment and a default 5-unit horizontal and vertical gap.
* The value of the alignment argument must be one of
* <code>WrapLayout</code>, <code>WrapLayout</code>,
* or <code>WrapLayout</code>.
* @param align the alignment value
*/
public WrapLayout(int align)
{
super(align);
}

/**
* Creates a new flow layout manager with the indicated alignment
* and the indicated horizontal and vertical gaps.
* <p>
* The value of the alignment argument must be one of
* <code>WrapLayout</code>, <code>WrapLayout</code>,
* or <code>WrapLayout</code>.
* @param align the alignment value
* @param hgap the horizontal gap between components
* @param vgap the vertical gap between components
*/
public WrapLayout(int align, int hgap, int vgap)
{
super(align, hgap, vgap);
}

/**
* Returns the preferred dimensions for this layout given the
* <i>visible</i> components in the specified target container.
* @param target the component which needs to be laid out
* @return the preferred dimensions to lay out the
* subcomponents of the specified container
*/
@Override
public Dimension preferredLayoutSize(Container target)
{
return layoutSize(target, true);
}

/**
* Returns the minimum dimensions needed to layout the <i>visible</i>
* components contained in the specified target container.
* @param target the component which needs to be laid out
* @return the minimum dimensions to lay out the
* subcomponents of the specified container
*/
@Override
public Dimension minimumLayoutSize(Container target)
{
Dimension minimum = layoutSize(target, false);
minimum.width -= (getHgap() + 1);
return minimum;
}

/**
* Returns the minimum or preferred dimension needed to layout the target
* container.
*
* @param target target to get layout size for
* @param preferred should preferred size be calculated
* @return the dimension to layout the target container
*/
private Dimension layoutSize(Container target, boolean preferred)
{
synchronized (target.getTreeLock())
{
// Each row must fit with the width allocated to the containter.
// When the container width = 0, the preferred width of the container
// has not yet been calculated so lets ask for the maximum.

int targetWidth = target.getSize().width;
Container container = target;

while (container.getSize().width == 0 && container.getParent() != null)
{
container = container.getParent();
}

targetWidth = container.getSize().width;

if (targetWidth == 0)
targetWidth = Integer.MAX_VALUE;

int hgap = getHgap();
int vgap = getVgap();
Insets insets = target.getInsets();
int horizontalInsetsAndGap = insets.left + insets.right + (hgap * 2);
int maxWidth = targetWidth - horizontalInsetsAndGap;

// Fit components into the allowed width

Dimension dim = new Dimension(0, 0);
int rowWidth = 0;
int rowHeight = 0;

int nmembers = target.getComponentCount();

for (int i = 0; i < nmembers; i++)
{
Component m = target.getComponent(i);

if (m.isVisible())
{
Dimension d = preferred ? m.getPreferredSize() : m.getMinimumSize();

// Can't add the component to current row. Start a new row.

if (rowWidth + d.width > maxWidth)
{
addRow(dim, rowWidth, rowHeight);
rowWidth = 0;
rowHeight = 0;
}

// Add a horizontal gap for all components after the first

if (rowWidth != 0)
{
rowWidth += hgap;
}

rowWidth += d.width;
rowHeight = Math.max(rowHeight, d.height);
}
}

addRow(dim, rowWidth, rowHeight);

dim.width += horizontalInsetsAndGap;
dim.height += insets.top + insets.bottom + vgap * 2;

// When using a scroll pane or the DecoratedLookAndFeel we need to
// make sure the preferred size is less than the size of the
// target containter so shrinking the container size works
// correctly. Removing the horizontal gap is an easy way to do this.

Container scrollPane = SwingUtilities.getAncestorOfClass(JScrollPane.class, target);

if (scrollPane != null && target.isValid())
{
dim.width -= (hgap + 1);
}

return dim;
}
}

/*
* A new row has been completed. Use the dimensions of this row
* to update the preferred size for the container.
*
* @param dim update the width and height when appropriate
* @param rowWidth the width of the row to add
* @param rowHeight the height of the row to add
*/
private void addRow(Dimension dim, int rowWidth, int rowHeight)
{
dim.width = Math.max(dim.width, rowWidth);

if (dim.height > 0)
{
dim.height += getVgap();
}

dim.height += rowHeight;
}
}
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