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Merge pull request #806 from Mailaender/empty-molecule
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Added a help text to the molecule view
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@eselmeister
eselmeister authored Nov 13, 2021
2 parents a66ae19 + 605e994 commit 1b0cbd9
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Showing 6 changed files with 32 additions and 34 deletions.
Binary file removed ...lipse/plugins/org.eclipse.chemclipse.rcp.ui.icons/icons/16x16/caseSensitive.gif
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Binary file added ...lipse/plugins/org.eclipse.chemclipse.rcp.ui.icons/icons/16x16/caseSensitive.png
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Binary file added chemclipse/plugins/org.eclipse.chemclipse.rcp.ui.icons/icons/16x16/molecule.png
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2 changes: 1 addition & 1 deletion ...emclipse.rcp.ui.icons/src/org/eclipse/chemclipse/rcp/ui/icons/core/IApplicationImage.java
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Original file line number Diff line number Diff line change
Expand Up @@ -322,7 +322,7 @@ public static String getLocation(String fileName, String size) {
String IMAGE_EXPAND_ALL = PATH_PREFIX + "expand_all.gif";
String IMAGE_COLLAPSE_ALL = PATH_PREFIX + "collapse_all.gif";
String IMAGE_SEARCH = PATH_PREFIX + "search.gif";
String IMAGE_CASE_SENSITIVE = PATH_PREFIX + "caseSensitive.gif";
String IMAGE_CASE_SENSITIVE = PATH_PREFIX + "caseSensitive.png";
String IMAGE_EVALUATE = PATH_PREFIX + "evaluate.gif";
String IMAGE_EVALUATED = PATH_PREFIX + "evaluated.gif";
String IMAGE_VALIDATE = PATH_PREFIX + "validate.gif";
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2 changes: 1 addition & 1 deletion chemclipse/plugins/org.eclipse.chemclipse.ux.extension.xxd.ui/fragment.e4xmi
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Expand Up @@ -166,7 +166,7 @@
<elements xsi:type="basic_1:PartDescriptor" xmi:id="_Y_ro0EAvEeqJVqzJWNzLJQ" elementId="org.eclipse.chemclipse.ux.extension.xxd.ui.part.peakTracesPartDescriptor" label="Peak Traces" iconURI="platform:/plugin/org.eclipse.chemclipse.rcp.ui.icons/icons/16x16/peakTraces.gif" closeable="true" contributionURI="bundleclass://org.eclipse.chemclipse.ux.extension.xxd.ui/org.eclipse.chemclipse.ux.extension.xxd.ui.parts.PeakTracesPart"/>
<elements xsi:type="basic_1:PartDescriptor" xmi:id="_K4RHoFfoEeqlye9AD7DqRA" elementId="org.eclipse.chemclipse.ux.extension.xxd.ui.part.scanBrowsePartDescriptor" label="Scan Browse" iconURI="platform:/plugin/org.eclipse.chemclipse.rcp.ui.icons/icons/16x16/selectedScansDefault.gif" closeable="true" contributionURI="bundleclass://org.eclipse.chemclipse.ux.extension.xxd.ui/org.eclipse.chemclipse.ux.extension.xxd.ui.parts.ScanBrowsePart"/>
<elements xsi:type="basic_1:PartDescriptor" xmi:id="_cmdKcNPYEeqN1JMWzTUFPw" elementId="org.eclipse.chemclipse.ux.extension.xxd.ui.part.synonymsPartDescriptor" label="Synonyms" iconURI="platform:/plugin/org.eclipse.chemclipse.rcp.ui.icons/icons/16x16/tag.gif" closeable="true" contributionURI="bundleclass://org.eclipse.chemclipse.ux.extension.xxd.ui/org.eclipse.chemclipse.ux.extension.xxd.ui.parts.SynonymsPart"/>
<elements xsi:type="basic_1:PartDescriptor" xmi:id="_HlylUNPeEeqN1JMWzTUFPw" elementId="org.eclipse.chemclipse.ux.extension.xxd.ui.part.moleculePartDescriptor" label="Molecule" iconURI="platform:/plugin/org.eclipse.chemclipse.rcp.ui.icons/icons/16x16/tag.gif" tooltip="Display of molecule structures and additional informations." closeable="true" contributionURI="bundleclass://org.eclipse.chemclipse.ux.extension.xxd.ui/org.eclipse.chemclipse.ux.extension.xxd.ui.parts.MoleculePart"/>
<elements xsi:type="basic_1:PartDescriptor" xmi:id="_HlylUNPeEeqN1JMWzTUFPw" elementId="org.eclipse.chemclipse.ux.extension.xxd.ui.part.moleculePartDescriptor" label="Molecule" iconURI="platform:/plugin/org.eclipse.chemclipse.rcp.ui.icons/icons/16x16/molecule.png" tooltip="Display of molecule structures and additional informations." closeable="true" contributionURI="bundleclass://org.eclipse.chemclipse.ux.extension.xxd.ui/org.eclipse.chemclipse.ux.extension.xxd.ui.parts.MoleculePart"/>
</fragments>
<fragments xsi:type="fragment:StringModelFragment" xmi:id="_3PJOcAyjEeisZuYp3s9MTg" featurename="commands" parentElementId="org.eclipse.chemclipse.rcp.ide.application">
<elements xsi:type="commands:Command" xmi:id="_aoksgCWdEeu5Pepo04c08Q" elementId="org.eclipse.chemclipse.ux.extension.xxd.ui.command.partHandler" commandName="Part Handler" description="This command show/hides parts."/>
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62 changes: 30 additions & 32 deletions ...tension.xxd.ui/src/org/eclipse/chemclipse/ux/extension/xxd/ui/swt/ExtendedMoleculeUI.java
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Expand Up @@ -68,11 +68,8 @@ public class ExtendedMoleculeUI extends Composite implements IExtendedPartUI {

private static final Logger logger = Logger.getLogger(ExtendedMoleculeUI.class);
//
private static final String EMPTY_MESSAGE = "Please select a target to view a molecular structure.";
private static final String ERROR_MESSAGE = "The molecule image couldn't be created.";
private static final ILibraryInformation LIBRARY_INFORMATION_THIAMIN = createLibraryInformationDefault();
private static final String THIAMINE_NAME = "Thiamine";
private static final String THIAMINE_CAS = "70-16-6";
private static final String THIAMINE_SMILES = "OCCc1c(C)[n+](=cs1)Cc2cnc(C)nc(N)2";
//
private static final double SCALE_DEFAULT = 1.0d;
private static final double SCALE_DELTA = 0.1d;
Expand All @@ -81,14 +78,13 @@ public class ExtendedMoleculeUI extends Composite implements IExtendedPartUI {
private AtomicReference<InformationUI> toolbarInfo = new AtomicReference<>();
private Button buttonToolbarEdit;
private AtomicReference<Composite> toolbarEdit = new AtomicReference<>();
private TabFolder tabFolder;
private ComboViewer comboViewerServices;
private Text textInput;
private ComboViewer comboViewerInput;
private Canvas canvasMolecule;
private Text textMolecule;
//
private ILibraryInformation libraryInformation = LIBRARY_INFORMATION_THIAMIN;
private ILibraryInformation libraryInformation;
//
private double scaleFactor = SCALE_DEFAULT;
private Image imageMolecule = null;
Expand All @@ -104,7 +100,7 @@ public ExtendedMoleculeUI(Composite parent, int style) {
public void setInput(ILibraryInformation libraryInformation) {

this.libraryInformation = libraryInformation;
updateContent(getDisplay());
updateContent();
}

@Override
Expand Down Expand Up @@ -150,7 +146,7 @@ private void initialize() {
/*
* Create the image
*/
updateContent(getDisplay());
updateContent();
}

private void createToolbarMain(Composite parent) {
Expand Down Expand Up @@ -194,7 +190,6 @@ private void createToolbarEdit(Composite parent) {
private Text createTextInput(Composite parent) {

Text text = new Text(parent, SWT.BORDER);
text.setText(THIAMINE_NAME);
text.setToolTipText("Input");
text.setLayoutData(new GridData(GridData.FILL_HORIZONTAL));
text.addKeyListener(new KeyAdapter() {
Expand All @@ -204,7 +199,7 @@ public void keyReleased(KeyEvent e) {

if(isEnterPressed(e)) {
libraryInformation = createLibraryInformationByInput();
updateContent(e.display);
updateContent();
}
}
});
Expand Down Expand Up @@ -261,7 +256,7 @@ private Button createButtonCalculate(Composite parent) {
public void widgetSelected(SelectionEvent e) {

libraryInformation = createLibraryInformationByInput();
updateContent(e.display);
updateContent();
}
});
//
Expand All @@ -270,7 +265,7 @@ public void widgetSelected(SelectionEvent e) {

private void createTabFolderSection(Composite parent) {

tabFolder = new TabFolder(parent, SWT.BOTTOM);
TabFolder tabFolder = new TabFolder(parent, SWT.BOTTOM);
tabFolder.setBackgroundMode(SWT.INHERIT_DEFAULT);
tabFolder.setLayoutData(new GridData(GridData.FILL_BOTH));
//
Expand Down Expand Up @@ -400,8 +395,7 @@ private Button createButtonReset(Composite parent) {
public void widgetSelected(SelectionEvent e) {

scaleFactor = SCALE_DEFAULT;
libraryInformation = LIBRARY_INFORMATION_THIAMIN;
updateContent(e.display);
updateContent();
}
});
//
Expand Down Expand Up @@ -479,7 +473,7 @@ public void apply(Display display) {
private void applySettings(Display display) {

createMoleculeImage(display);
updateContent(display);
updateContent();
}

private boolean isEnterPressed(KeyEvent e) {
Expand Down Expand Up @@ -561,6 +555,21 @@ private Point adjustSize(int width, int height) {

private void drawImage(Canvas canvas, PaintEvent event) {

if(libraryInformation == null || !isSourceDataAvailable(libraryInformation)) {
/*
* Instructions
*/
Font font = getFont();
FontData[] fontData = font.getFontData();
int width = event.gc.stringExtent(EMPTY_MESSAGE).x;
int height = fontData[0].getHeight();
//
Point size = canvas.getSize();
int x = (int)(size.x / 2.0d - width / 2.0d);
int y = (int)(size.y / 2.0d - height / 2.0d);
event.gc.drawText(EMPTY_MESSAGE, x, y, true);
return;
}
createMoleculeImage(event.display);
if(imageMolecule != null) {
/*
Expand Down Expand Up @@ -664,7 +673,7 @@ private ImageServiceInput getImageInput() {
private String getExportName() {

String input = textInput.getText().trim();
String name = input.replaceAll(":", "");
String name = input.replace(":", "");
name = name.isEmpty() ? "Unkown" : name;
int length = preferenceStore.getInt(PreferenceConstants.P_LENGTH_MOLECULE_NAME_EXPORT);
if(length >= PreferenceConstants.MIN_LENGTH_NAME_EXPORT && name.length() > length) {
Expand All @@ -674,7 +683,7 @@ private String getExportName() {
}
}

private void updateContent(Display display) {
private void updateContent() {

updateWidgets();
canvasMolecule.redraw();
Expand Down Expand Up @@ -718,32 +727,21 @@ private void setTextInput() {
}
}

private static ILibraryInformation createLibraryInformationDefault() {

ILibraryInformation libraryInformation = new LibraryInformation();
//
libraryInformation.setName(THIAMINE_NAME);
libraryInformation.setCasNumber(THIAMINE_CAS);
libraryInformation.setSmiles(THIAMINE_SMILES);
//
return libraryInformation;
}

private ILibraryInformation createLibraryInformationByInput() {

ILibraryInformation libraryInformation = new LibraryInformation();
ILibraryInformation libraryInformationByInput = new LibraryInformation();
//
ImageServiceInput imageInput = getImageInput();
String text = textInput.getText().trim();
switch(imageInput) {
case SMILES:
libraryInformation.setSmiles(text);
libraryInformationByInput.setSmiles(text);
break;
default:
libraryInformation.setName(text);
libraryInformationByInput.setName(text);
break;
}
//
return libraryInformation;
return libraryInformationByInput;
}
}

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