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19931b5
Fix #480. Correct spelling of _symmetry.space_group_name_H-M in CIF o…
sbliven May 13, 2016
e70dcbb
Introduce @CIFLabel(label="str") annotation
sbliven May 13, 2016
2a2e75d
Now using the CIFLabel annotations from cif parser
josemduarte May 14, 2016
8444516
Started converting PdbxStructOperList, not working yet
josemduarte May 14, 2016
0b0b4c0
Mmcic parsing with tags works for all beans now
josemduarte May 14, 2016
8cfd093
Adding some more ignore fields in beans
josemduarte May 14, 2016
593d7a6
[maven-release-plugin]prepare release biojava-4.2.3
Jun 24, 2016
5d3bde6
[maven-release-plugin]prepare for next development iteration
Jun 24, 2016
f0daa42
[maven-release-plugin] rollback the release of biojava-4.2.3
Jun 24, 2016
301b232
[maven-release-plugin]prepare release biojava-4.2.3
Jun 28, 2016
1b85d10
[maven-release-plugin] rollback the release of biojava-4.2.3
Jun 28, 2016
c7f77f8
[maven-release-plugin]prepare release biojava-4.2.3
Jun 28, 2016
2b03990
[maven-release-plugin]prepare for next development iteration
Jun 28, 2016
15ca444
#505 switching to https for all NCBI utils traffic.
andreasprlic Jun 30, 2016
ebc2c97
#505 switching to https for all NCBI utils traffic.
andreasprlic Jun 30, 2016
14c4e53
Merge pull request #526 from andreasprlic/bugfixes-4.2
josemduarte Jul 4, 2016
2785fdf
Fixing #533
josemduarte Jul 13, 2016
234d0da
#542 changing default SCOP download location to Berkeley- SCOP.
andreasprlic Jul 27, 2016
46b30b3
Back-porting cloning fix (see #541) into bugfixes-4.2
josemduarte Jul 28, 2016
7453eee
Some work towards fixing #544
josemduarte Jul 28, 2016
a9db148
Fixing #544 and improving logging
josemduarte Jul 28, 2016
3bc719a
Complete new CATH file names #546 and #544
lafita Jul 29, 2016
bceab29
Adding test for genome mapping
andreasprlic Jul 29, 2016
f2f4143
new utility class for chromosome mappings.
andreasprlic Jul 29, 2016
04b8f4a
new utility class for chromosome mappings.
andreasprlic Jul 29, 2016
f63309d
adding new dependency on guava
andreasprlic Jul 29, 2016
795be8f
new utility class for chromosome mappings.
andreasprlic Jul 29, 2016
b88dd4e
Merge pull request #547 from andreasprlic/bugfixes-4.2
josemduarte Jul 29, 2016
79f57d7
[maven-release-plugin]prepare release biojava-4.2.4
Jul 29, 2016
e2cc068
[maven-release-plugin]prepare for next development iteration
Jul 29, 2016
af526f1
Fixing cath urls according to their final layout
josemduarte Aug 1, 2016
fa9ecab
Fix MultipleAlignmentJmol resizing bug
sbliven Aug 10, 2016
ee2210b
Merge branch 'bugfixes-4.2'
sbliven Aug 10, 2016
a6ad160
Fix compilation errors from merge
sbliven Aug 10, 2016
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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) {

Expand Down
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();

Expand Down
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;
}
}
Original file line number Diff line number Diff line change
Expand Up @@ -721,7 +721,7 @@ public void documentEnd() {
}

// we'll only add seqres chains that are polymeric or unknown
if (type==null || (type!=null && type==EntityType.POLYMER) ) {
if (type==null || type==EntityType.POLYMER ) {
seqResChains.add(seqres);
}

Expand Down Expand Up @@ -1318,6 +1318,7 @@ private void setStructNcsOps() {
}
}


/** This method will return the parsed protein structure, once the parsing has been finished
*
* @return a BioJava protein structure object
Expand Down
Original file line number Diff line number Diff line change
Expand Up @@ -167,7 +167,7 @@ private ChemComp downloadAndAdd(String recordName){
final File [] files = new File[1];
Path cif = m_tempDir.resolve("chemcomp").resolve(recordName + ".cif.gz");
files[0] = cif.toFile();
if (files != null) {
if (files[0] != null) {
addToZipFileSystem(m_zipFile, files, m_zipRootDir);
if (m_removeCif) for (File f : files) f.delete();
}
Expand Down