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authorAndreas Cord-Landwehr <cordlandwehr@kde.org>2016-10-30 13:52:35 (GMT)
committerAndreas Cord-Landwehr <cordlandwehr@kde.org>2016-10-30 22:02:22 (GMT)
commita8995abf114f7bf6958cf953829d4ef882e68e35 (patch)
tree648db4b7e33647ea6c55434511fd5a29279aba89
parent8fbc2d7c37cd3f5494b02adc0092786f02ca780c (diff)
Adapt molecule view UI for better Avogadro integration
Editor controls are now provided directly by the Avogadro library.
-rw-r--r--src/tools/moleculeview.cpp159
-rw-r--r--src/tools/moleculeview.h31
-rw-r--r--src/tools/moleculeviewerwidget.ui549
3 files changed, 255 insertions, 484 deletions
diff --git a/src/tools/moleculeview.cpp b/src/tools/moleculeview.cpp
index bc65476..8f862e2 100644
--- a/src/tools/moleculeview.cpp
+++ b/src/tools/moleculeview.cpp
@@ -19,15 +19,15 @@
#include <avogadro/qtgui/periodictableview.h>
#include <avogadro/qtgui/molecule.h>
#include <avogadro/qtgui/scenepluginmodel.h>
+#include <avogadro/qtgui/toolplugin.h>
// #include <avogadro/qtplugins/openbabel/openbabel.h>FIXME:Avogadro2
#include <QFileInfo>
#include <QGLFormat>
-#include <QSettings>
#include <QDebug>
-#include <kfiledialog.h>
-#include <kjob.h>
-#include <kmessagebox.h>
+#include <KFileDialog>
+#include <KJob>
+#include <KMessageBox>
#include <KLocale>
#include <QUrl>
#include <knewstuff3/downloaddialog.h>
@@ -51,7 +51,6 @@ MoleculeDialog::MoleculeDialog(QWidget * parent)
: KDialog(parent)
, m_path(QString())
, m_periodicTable(nullptr)
- , m_addHydrogens(false)
{
// use multi-sample (anti-aliased) OpenGL if available
QGLFormat defFormat = QGLFormat::defaultFormat();
@@ -77,34 +76,15 @@ MoleculeDialog::MoleculeDialog(QWidget * parent)
ui.optimizeButton->setEnabled(false);
}
- // Set up the elements combo and bond order combo
- elementCombo();
- ui.bondCombo->addItem(i18n("Single"));
- ui.bondCombo->addItem(i18n("Double"));
- ui.bondCombo->addItem(i18n("Triple"));
- // Initialise the draw settings
- m_drawSettings = new QSettings;
- m_drawSettings->setValue("currentElement", 6);
- m_drawSettings->setValue("bondOrder", 1);
- m_drawSettings->setValue("addHydrogens", 0);
-
- ui.styleCombo->addItems({"Wireframe", "Ball and Stick", "Van der Waals"});
- slotUpdateScenePlugin();
+ ui.styleCombo->addItems({"Ball and Stick", "Van der Waals", "Wireframe"});
connect(ui.styleCombo, static_cast<void (QComboBox::*)(const QString&)>(&QComboBox::currentIndexChanged),
this, &MoleculeDialog::slotUpdateScenePlugin);
+ slotUpdateScenePlugin();
connect(ui.tabWidget, &QTabWidget::currentChanged,
this, &MoleculeDialog::setViewEdit);
// Editing parameters
- connect(ui.elementCombo, static_cast<void (QComboBox::*)(int)>(&KComboBox::currentIndexChanged),
- this, &MoleculeDialog::slotElementChanged);
- connect(ui.bondCombo, static_cast<void (QComboBox::*)(int)>(&KComboBox::currentIndexChanged),
- this, &MoleculeDialog::slotBondOrderChanged);
- connect(ui.hydrogenBox, &QCheckBox::stateChanged,
- this, &MoleculeDialog::slotAddHydrogensChanged);
- connect(ui.hydrogensButton, &QPushButton::clicked,
- this, &MoleculeDialog::slotAdjustHydrogens);
connect(ui.optimizeButton, &QPushButton::clicked,
this, &MoleculeDialog::slotGeometryOptimize);
connect(ui.clearDrawingButton, &QPushButton::clicked,
@@ -126,6 +106,14 @@ MoleculeDialog::MoleculeDialog(QWidget * parent)
QString error = i18n("No tools loaded - it is likely that the Avogadro plugins could not be located.");
KMessageBox::error(this, error, i18n("Kalzium"));
}
+
+ // objectName is also used in Avogadro2 for identifying tools
+ foreach (auto *tool, ui.glWidget->tools()) {
+ if (tool->objectName() == "Editor") {
+ ui.editTabLayout->insertWidget(0, tool->toolWidget());
+ break;
+ }
+ }
}
void MoleculeDialog::slotLoadMolecule()
@@ -203,7 +191,7 @@ void MoleculeDialog::clearAllElementsInEditor()
{
ui.glWidget->molecule()->clearBonds();
ui.glWidget->molecule()->clearAtoms();
- ui.glWidget->update();
+ ui.glWidget->updateScene();
}
void MoleculeDialog::slotSaveMolecule()
@@ -233,9 +221,6 @@ void MoleculeDialog::setViewEdit(int mode)
ui.glWidget->setActiveTool("Navigator");
} else if (mode == 1) {
ui.glWidget->setActiveTool("Editor");
- if (ui.glWidget->activeTool()) {
-// ui.glWidget->activeTool()->readSettings(*m_drawSettings);//FIXME Avogadro2: settings
- }
} else if (mode == 2) {
ui.glWidget->setActiveTool("MeasureTool");
}
@@ -243,7 +228,6 @@ void MoleculeDialog::setViewEdit(int mode)
MoleculeDialog::~MoleculeDialog()
{
- delete m_drawSettings;
}
void MoleculeDialog::slotUpdateStatistics()
@@ -309,119 +293,6 @@ void MoleculeDialog::slotDownloadNewStuff()
}
}
-void MoleculeDialog::elementCombo()
-{
- ui.elementCombo->addItem(ElementTranslator::name(1) + " (1)");
- m_elementsIndex.append(1);
- ui.elementCombo->addItem(ElementTranslator::name(5) + " (5)");
- m_elementsIndex.append(5);
- ui.elementCombo->addItem(ElementTranslator::name(6) + " (6)");
- m_elementsIndex.append(6);
- ui.elementCombo->addItem(ElementTranslator::name(7) + " (7)");
- m_elementsIndex.append(7);
- ui.elementCombo->addItem(ElementTranslator::name(8) + " (8)");
- m_elementsIndex.append(8);
- ui.elementCombo->addItem(ElementTranslator::name(9) + " (9)");
- m_elementsIndex.append(9);
- ui.elementCombo->addItem(ElementTranslator::name(15) + " (15)");
- m_elementsIndex.append(15);
- ui.elementCombo->addItem(ElementTranslator::name(16) + " (16)");
- m_elementsIndex.append(16);
- ui.elementCombo->addItem(ElementTranslator::name(17) + " (17)");
- m_elementsIndex.append(17);
- ui.elementCombo->addItem(ElementTranslator::name(35) + " (35)");
- m_elementsIndex.append(35);
- ui.elementCombo->addItem(i18nc("Other element", "Other..."));
- m_elementsIndex.append(0);
- ui.elementCombo->setCurrentIndex(2);
-}
-
-void MoleculeDialog::slotElementChanged(int element)
-{
- // Check if other was chosen
- if (m_elementsIndex[element] == 0) {
- if (!m_periodicTable) {
- m_periodicTable = new PeriodicTableView(this);
- connect(m_periodicTable, SIGNAL(elementChanged(int)),
- this, SLOT(slotCustomElementChanged(int)));
- }
- m_periodicTable->show();
- return;
- }
-
- m_drawSettings->setValue("currentElement", m_elementsIndex[element]);
-// ui.glWidget->toolGroup()->activeTool()->readSettings(*m_drawSettings);//FIXME:Avogadro2
-}
-
-void MoleculeDialog::slotCustomElementChanged(int element)
-{
- // Set the element so we can draw with it
- m_drawSettings->setValue("currentElement", element);
- if (ui.glWidget->activeTool()) {
-// ui.glWidget->toolGroup()->activeTool()->readSettings(*m_drawSettings);//FIXME:Avogadro2
- }
-
- // Check to see if we already have this in the comboBox list
- // If not, we get back -1 and need to create a new item
- int comboItem = m_elementsIndex.indexOf(element);
- if (comboItem != -1) {
- ui.elementCombo->setCurrentIndex(comboItem);
- return; // we found it in the list, so we're done
- }
-
- // Find where we should put the new entry
- // (i.e., in order by atomic number)
- int position = 0;
- foreach (int entry, m_elementsIndex) {
- // Two cases: entry > index -- insert the new element before this one
- // Or... we hit the "Other" menu choice -- also insert here
- if (entry > element || entry == 0) {
- break;
- }
-
- ++position;
- }
-
- // And now we set up a new entry into the combo list
- QString entryName(ElementTranslator::name(element)); // (e.g., "Hydrogen")
- entryName += " (" + QString::number(element) + ')';
-
- m_elementsIndex.insert(position, element);
- ui.elementCombo->insertItem(position, entryName);
- ui.elementCombo->setCurrentIndex(position);
-}
-
-void MoleculeDialog::slotBondOrderChanged(int bond)
-{
- m_drawSettings->setValue("bondOrder", bond+1);
- if (ui.glWidget->activeTool()) {
-// ui.glWidget->toolGroup()->activeTool()->readSettings(*m_drawSettings);//FIXME:Avogadro2
- }
-}
-
-void MoleculeDialog::slotAddHydrogensChanged(int hydrogens)
-{
- m_drawSettings->setValue("addHydrogens", hydrogens);
- if (ui.glWidget->activeTool()) {
-// ui.glWidget->toolGroup()->activeTool()->readSettings(*m_drawSettings);//FIXME:Avogadro2
- }
-}
-
-void MoleculeDialog::slotAdjustHydrogens()
-{
- // Add/remove hydrogens from the molecule
- if (!m_addHydrogens) {
- ui.hydrogensButton->setText(i18n("Remove hydrogens"));
-// ui.glWidget->molecule()->addHydrogens();//FIXME:Avogadro2
- m_addHydrogens = true;
- } else {
- ui.hydrogensButton->setText(i18n("Add hydrogens"));
-// ui.glWidget->molecule()->removeHydrogens();//FIXME:Avogadro2
- m_addHydrogens = false;
- }
-// ui.glWidget->molecule()->update();//FIXME:Avogadro2
-}
-
void MoleculeDialog::slotGeometryOptimize()
{
// Perform a geometry optimization
diff --git a/src/tools/moleculeview.h b/src/tools/moleculeview.h
index fd36469..2a9909a 100644
--- a/src/tools/moleculeview.h
+++ b/src/tools/moleculeview.h
@@ -51,15 +51,9 @@ private:
Avogadro::QtGui::PeriodicTableView *m_periodicTable;
OpenBabel::OBForceField* m_forceField;
QSettings *m_drawSettings;
- bool m_addHydrogens;
Ui::moleculeViewerForm ui;
- /**
- * Set up the element combo box
- */
- void elementCombo();
-
private slots:
/**
* Load a molecule
@@ -87,36 +81,11 @@ private slots:
void setViewEdit(int mode);
/**
- * Current element has changed
- */
- void slotElementChanged(int element);
-
- /**
- * Custom element has been selected
- */
- void slotCustomElementChanged(int);
-
- /**
- * Bond order has been changed
- */
- void slotBondOrderChanged(int);
-
- /**
- * Automatic hydrogen addition on drawing
- */
- void slotAddHydrogensChanged(int);
-
- /**
* Update the statistical information about the current molecule
*/
void slotUpdateStatistics();
/**
- * Add/remove hydrogens
- */
- void slotAdjustHydrogens();
-
- /**
* Geometry optimization
*/
void slotGeometryOptimize();
diff --git a/src/tools/moleculeviewerwidget.ui b/src/tools/moleculeviewerwidget.ui
index 347d393..9b84f4d 100644
--- a/src/tools/moleculeviewerwidget.ui
+++ b/src/tools/moleculeviewerwidget.ui
@@ -6,8 +6,8 @@
<rect>
<x>0</x>
<y>0</y>
- <width>800</width>
- <height>520</height>
+ <width>760</width>
+ <height>523</height>
</rect>
</property>
<property name="sizePolicy">
@@ -17,334 +17,269 @@
</sizepolicy>
</property>
<layout class="QGridLayout" name="gridLayout">
+ <item row="0" column="1">
+ <widget class="QWidget" name="widget_2" native="true">
+ <layout class="QVBoxLayout" name="verticalLayout_6">
+ <item>
+ <layout class="QGridLayout" name="gridLayout_3">
+ <item row="0" column="0">
+ <widget class="QLabel" name="labelStyle">
+ <property name="text">
+ <string>Style:</string>
+ </property>
+ <property name="alignment">
+ <set>Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter</set>
+ </property>
+ <property name="buddy">
+ <cstring>styleCombo</cstring>
+ </property>
+ </widget>
+ </item>
+ <item row="0" column="1">
+ <layout class="QHBoxLayout" name="horizontalLayout_5">
+ <item>
+ <widget class="QComboBox" name="styleCombo">
+ <property name="minimumSize">
+ <size>
+ <width>160</width>
+ <height>0</height>
+ </size>
+ </property>
+ </widget>
+ </item>
+ </layout>
+ </item>
+ </layout>
+ </item>
+ <item>
+ <widget class="KalziumGLWidget" name="glWidget" native="true">
+ <property name="sizePolicy">
+ <sizepolicy hsizetype="Expanding" vsizetype="Expanding">
+ <horstretch>10</horstretch>
+ <verstretch>10</verstretch>
+ </sizepolicy>
+ </property>
+ <property name="minimumSize">
+ <size>
+ <width>240</width>
+ <height>240</height>
+ </size>
+ </property>
+ <property name="sizeIncrement">
+ <size>
+ <width>10</width>
+ <height>10</height>
+ </size>
+ </property>
+ </widget>
+ </item>
+ </layout>
+ </widget>
+ </item>
<item row="0" column="0">
- <widget class="QTabWidget" name="tabWidget">
- <property name="currentIndex">
- <number>0</number>
+ <widget class="QWidget" name="widget" native="true">
+ <property name="maximumSize">
+ <size>
+ <width>300</width>
+ <height>16777215</height>
+ </size>
</property>
- <widget class="QWidget" name="display">
- <attribute name="title">
- <string>Display</string>
- </attribute>
- <layout class="QVBoxLayout" name="verticalLayout">
- <item>
- <layout class="QGridLayout" name="gridLayout_3">
- <item row="0" column="0">
- <widget class="QLabel" name="label_2">
- <property name="text">
- <string>Style:</string>
- </property>
- <property name="alignment">
- <set>Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter</set>
- </property>
- <property name="buddy">
- <cstring>styleCombo</cstring>
- </property>
+ <layout class="QVBoxLayout" name="verticalLayout_4">
+ <item>
+ <layout class="QVBoxLayout" name="verticalLayout_3">
+ <item>
+ <widget class="QTabWidget" name="tabWidget">
+ <property name="currentIndex">
+ <number>0</number>
+ </property>
+ <widget class="QWidget" name="display">
+ <attribute name="title">
+ <string>Display</string>
+ </attribute>
+ <layout class="QVBoxLayout" name="verticalLayout">
+ <item>
+ <widget class="QLabel" name="label">
+ <property name="enabled">
+ <bool>true</bool>
+ </property>
+ <property name="maximumSize">
+ <size>
+ <width>266</width>
+ <height>16777215</height>
+ </size>
+ </property>
+ <property name="text">
+ <string>Load a molecule and use the mouse pointer and scroll wheel to change the view point.</string>
+ </property>
+ <property name="wordWrap">
+ <bool>true</bool>
+ </property>
+ </widget>
+ </item>
+ <item>
+ <spacer name="spacer">
+ <property name="orientation">
+ <enum>Qt::Vertical</enum>
+ </property>
+ <property name="sizeHint" stdset="0">
+ <size>
+ <width>148</width>
+ <height>43</height>
+ </size>
+ </property>
+ </spacer>
+ </item>
+ </layout>
</widget>
- </item>
- <item row="0" column="1">
- <layout class="QHBoxLayout" name="horizontalLayout_5">
- <item>
- <widget class="QComboBox" name="styleCombo">
- <property name="minimumSize">
- <size>
- <width>160</width>
- <height>0</height>
- </size>
+ <widget class="QWidget" name="edit">
+ <attribute name="title">
+ <string>Edit</string>
+ </attribute>
+ <layout class="QVBoxLayout" name="verticalLayout_2">
+ <item>
+ <layout class="QVBoxLayout" name="editTabLayout">
+ <item>
+ <widget class="QPushButton" name="optimizeButton">
+ <property name="text">
+ <string>Optimize</string>
+ </property>
+ </widget>
+ </item>
+ <item>
+ <spacer name="spacer_2">
+ <property name="orientation">
+ <enum>Qt::Vertical</enum>
+ </property>
+ <property name="sizeHint" stdset="0">
+ <size>
+ <width>88</width>
+ <height>43</height>
+ </size>
+ </property>
+ </spacer>
+ </item>
+ <item>
+ <widget class="QPushButton" name="clearDrawingButton">
+ <property name="text">
+ <string>Clear drawing</string>
+ </property>
+ </widget>
+ </item>
+ </layout>
+ </item>
+ </layout>
+ </widget>
+ <widget class="QWidget" name="measure">
+ <attribute name="title">
+ <string>Measure</string>
+ </attribute>
+ <widget class="QLabel" name="label_10">
+ <property name="geometry">
+ <rect>
+ <x>20</x>
+ <y>20</y>
+ <width>221</width>
+ <height>141</height>
+ </rect>
+ </property>
+ <property name="text">
+ <string>Click on 2 atoms to measure a distance, on 3 atoms to measure an angle, on 4 atoms to measure a dihedral angle.</string>
+ </property>
+ <property name="alignment">
+ <set>Qt::AlignLeading|Qt::AlignLeft|Qt::AlignTop</set>
+ </property>
+ <property name="wordWrap">
+ <bool>true</bool>
+ </property>
+ </widget>
+ </widget>
+ </widget>
+ </item>
+ </layout>
+ </item>
+ <item>
+ <widget class="QGroupBox" name="groupBox">
+ <property name="sizePolicy">
+ <sizepolicy hsizetype="MinimumExpanding" vsizetype="Fixed">
+ <horstretch>0</horstretch>
+ <verstretch>0</verstretch>
+ </sizepolicy>
+ </property>
+ <property name="minimumSize">
+ <size>
+ <width>240</width>
+ <height>110</height>
+ </size>
+ </property>
+ <property name="title">
+ <string>Statistics</string>
+ </property>
+ <layout class="QGridLayout">
+ <item row="0" column="0">
+ <layout class="QGridLayout">
+ <item row="0" column="0">
+ <widget class="QLabel" name="label_3">
+ <property name="text">
+ <string>Name:</string>
+ </property>
+ <property name="alignment">
+ <set>Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter</set>
</property>
</widget>
</item>
- </layout>
- </item>
- <item row="1" column="1">
- <layout class="QHBoxLayout" name="horizontalLayout_4"/>
- </item>
- </layout>
- </item>
- <item>
- <spacer name="spacer">
- <property name="orientation">
- <enum>Qt::Vertical</enum>
- </property>
- <property name="sizeHint" stdset="0">
- <size>
- <width>148</width>
- <height>43</height>
- </size>
- </property>
- </spacer>
- </item>
- </layout>
- </widget>
- <widget class="QWidget" name="edit">
- <attribute name="title">
- <string>Edit</string>
- </attribute>
- <layout class="QVBoxLayout" name="verticalLayout_2">
- <item>
- <layout class="QGridLayout" name="gridLayout_2">
- <item row="0" column="0">
- <widget class="QLabel" name="label_6">
- <property name="text">
- <string>Element:</string>
- </property>
- <property name="alignment">
- <set>Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter</set>
- </property>
- </widget>
- </item>
- <item row="0" column="1">
- <layout class="QHBoxLayout" name="horizontalLayout_2">
- <item>
- <widget class="KComboBox" name="elementCombo"/>
+ <item row="0" column="1">
+ <widget class="QLabel" name="nameLabel">
+ <property name="text">
+ <string/>
+ </property>
+ </widget>
</item>
- <item>
- <spacer name="horizontalSpacer_4">
- <property name="orientation">
- <enum>Qt::Horizontal</enum>
+ <item row="1" column="0">
+ <widget class="QLabel" name="label_7">
+ <property name="text">
+ <string>Formula:</string>
</property>
- <property name="sizeHint" stdset="0">
- <size>
- <width>40</width>
- <height>20</height>
- </size>
+ <property name="alignment">
+ <set>Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter</set>
</property>
- </spacer>
+ </widget>
</item>
- </layout>
- </item>
- <item row="1" column="0">
- <widget class="QLabel" name="label_8">
- <property name="text">
- <string>Bond Order:</string>
- </property>
- <property name="alignment">
- <set>Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter</set>
- </property>
- </widget>
- </item>
- <item row="1" column="1">
- <layout class="QHBoxLayout" name="horizontalLayout_3">
- <item>
- <widget class="KComboBox" name="bondCombo"/>
+ <item row="1" column="1">
+ <widget class="QLabel" name="formulaLabel">
+ <property name="text">
+ <string/>
+ </property>
+ </widget>
</item>
- <item>
- <spacer name="horizontalSpacer_3">
- <property name="orientation">
- <enum>Qt::Horizontal</enum>
+ <item row="2" column="0">
+ <widget class="QLabel" name="label_4">
+ <property name="text">
+ <string>Weight:</string>
</property>
- <property name="sizeHint" stdset="0">
- <size>
- <width>40</width>
- <height>20</height>
- </size>
+ <property name="alignment">
+ <set>Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter</set>
</property>
- </spacer>
+ </widget>
+ </item>
+ <item row="2" column="1">
+ <widget class="QLabel" name="weightLabel">
+ <property name="text">
+ <string/>
+ </property>
+ </widget>
</item>
</layout>
</item>
</layout>
- </item>
- <item>
- <widget class="QCheckBox" name="hydrogenBox">
- <property name="text">
- <string>Adjust Hydrogens Automatically</string>
- </property>
- <property name="checked">
- <bool>false</bool>
- </property>
- </widget>
- </item>
- <item>
- <layout class="QHBoxLayout" name="horizontalLayout_8">
- <item>
- <widget class="QPushButton" name="hydrogensButton">
- <property name="text">
- <string>Add Hydrogens</string>
- </property>
- </widget>
- </item>
- </layout>
- </item>
- <item>
- <layout class="QHBoxLayout" name="horizontalLayout">
- <item>
- <widget class="QPushButton" name="optimizeButton">
- <property name="text">
- <string>Optimize</string>
- </property>
- </widget>
- </item>
- </layout>
- </item>
- <item>
- <spacer name="spacer_2">
- <property name="orientation">
- <enum>Qt::Vertical</enum>
- </property>
- <property name="sizeHint" stdset="0">
- <size>
- <width>88</width>
- <height>43</height>
- </size>
- </property>
- </spacer>
- </item>
- <item>
- <widget class="QPushButton" name="clearDrawingButton">
- <property name="text">
- <string>Clear drawing</string>
- </property>
- </widget>
- </item>
- </layout>
- </widget>
- <widget class="QWidget" name="measure">
- <attribute name="title">
- <string>Measure</string>
- </attribute>
- <widget class="QLabel" name="label_10">
- <property name="geometry">
- <rect>
- <x>20</x>
- <y>20</y>
- <width>221</width>
- <height>141</height>
- </rect>
- </property>
- <property name="text">
- <string>Click on 2 atoms to measure a distance, on 3 atoms to measure an angle, on 4 atoms to measure a dihedral angle.</string>
- </property>
- <property name="alignment">
- <set>Qt::AlignLeading|Qt::AlignLeft|Qt::AlignTop</set>
- </property>
- <property name="wordWrap">
- <bool>true</bool>
- </property>
- </widget>
- </widget>
- </widget>
- </item>
- <item row="0" column="1" rowspan="3">
- <widget class="KalziumGLWidget" name="glWidget" native="true">
- <property name="sizePolicy">
- <sizepolicy hsizetype="Expanding" vsizetype="Expanding">
- <horstretch>10</horstretch>
- <verstretch>10</verstretch>
- </sizepolicy>
- </property>
- <property name="minimumSize">
- <size>
- <width>240</width>
- <height>240</height>
- </size>
- </property>
- <property name="sizeIncrement">
- <size>
- <width>10</width>
- <height>10</height>
- </size>
- </property>
- </widget>
- </item>
- <item row="1" column="0">
- <widget class="QGroupBox" name="groupBox">
- <property name="sizePolicy">
- <sizepolicy hsizetype="MinimumExpanding" vsizetype="Fixed">
- <horstretch>0</horstretch>
- <verstretch>0</verstretch>
- </sizepolicy>
- </property>
- <property name="minimumSize">
- <size>
- <width>240</width>
- <height>110</height>
- </size>
- </property>
- <property name="title">
- <string>Statistics</string>
- </property>
- <layout class="QGridLayout">
- <item row="0" column="0">
- <layout class="QGridLayout">
- <item row="0" column="0">
- <widget class="QLabel" name="label_3">
- <property name="text">
- <string>Name:</string>
- </property>
- <property name="alignment">
- <set>Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter</set>
- </property>
- </widget>
- </item>
- <item row="0" column="1">
- <widget class="QLabel" name="nameLabel">
- <property name="text">
- <string/>
- </property>
- </widget>
- </item>
- <item row="1" column="0">
- <widget class="QLabel" name="label_7">
- <property name="text">
- <string>Formula:</string>
- </property>
- <property name="alignment">
- <set>Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter</set>
- </property>
- </widget>
- </item>
- <item row="1" column="1">
- <widget class="QLabel" name="formulaLabel">
- <property name="text">
- <string/>
- </property>
- </widget>
- </item>
- <item row="2" column="0">
- <widget class="QLabel" name="label_4">
- <property name="text">
- <string>Weight:</string>
- </property>
- <property name="alignment">
- <set>Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter</set>
- </property>
- </widget>
- </item>
- <item row="2" column="1">
- <widget class="QLabel" name="weightLabel">
- <property name="text">
- <string/>
- </property>
- </widget>
- </item>
- </layout>
+ </widget>
</item>
</layout>
</widget>
</item>
- <item row="2" column="0">
- <spacer>
- <property name="orientation">
- <enum>Qt::Vertical</enum>
- </property>
- <property name="sizeHint" stdset="0">
- <size>
- <width>237</width>
- <height>194</height>
- </size>
- </property>
- </spacer>
- </item>
</layout>
</widget>
<customwidgets>
<customwidget>
- <class>KComboBox</class>
- <extends>QComboBox</extends>
- <header>kcombobox.h</header>
- </customwidget>
- <customwidget>
<class>KalziumGLWidget</class>
<extends>QWidget</extends>
<header>../../compoundviewer/kalziumglwidget.h</header>
@@ -352,11 +287,7 @@
</customwidget>
</customwidgets>
<tabstops>
- <tabstop>tabWidget</tabstop>
<tabstop>styleCombo</tabstop>
- <tabstop>elementCombo</tabstop>
- <tabstop>bondCombo</tabstop>
- <tabstop>hydrogenBox</tabstop>
<tabstop>optimizeButton</tabstop>
</tabstops>
<resources/>