<?xml version="1.0" encoding="UTF-8"?>
<ui version="4.0">
 <class>AssignBondOrderConfigurationDialogData</class>
 <widget class="QDialog" name="AssignBondOrderConfigurationDialogData">
  <property name="geometry">
   <rect>
    <x>0</x>
    <y>0</y>
    <width>582</width>
    <height>412</height>
   </rect>
  </property>
  <property name="sizePolicy">
   <sizepolicy hsizetype="Preferred" vsizetype="Preferred">
    <horstretch>0</horstretch>
    <verstretch>0</verstretch>
   </sizepolicy>
  </property>
  <property name="minimumSize">
   <size>
    <width>0</width>
    <height>0</height>
   </size>
  </property>
  <property name="maximumSize">
   <size>
    <width>6500</width>
    <height>4900</height>
   </size>
  </property>
  <property name="windowTitle">
   <string>Bond Order Assignment Options</string>
  </property>
  <layout class="QGridLayout" name="gridLayout">
   <item row="1" column="0">
    <widget class="QDialogButtonBox" name="buttonBox">
     <property name="standardButtons">
      <set>QDialogButtonBox::Cancel|QDialogButtonBox::Ok|QDialogButtonBox::RestoreDefaults</set>
     </property>
    </widget>
   </item>
   <item row="0" column="0">
    <widget class="QTabWidget" name="tabWidget">
     <property name="currentIndex">
      <number>0</number>
     </property>
     <widget class="QWidget" name="basic_tab">
      <attribute name="title">
       <string>Basic</string>
      </attribute>
      <layout class="QGridLayout" name="gridLayout_3">
       <item row="0" column="0" colspan="3">
        <widget class="QGroupBox" name="groupBox12">
         <property name="title">
          <string>Atomic Valence Penalty Rules</string>
         </property>
         <property name="alignment">
          <set>Qt::AlignHCenter</set>
         </property>
         <layout class="QGridLayout" name="gridLayout_6">
          <item row="0" column="0">
           <widget class="QLabel" name="Label_10">
            <property name="sizePolicy">
             <sizepolicy hsizetype="Preferred" vsizetype="Minimum">
              <horstretch>0</horstretch>
              <verstretch>0</verstretch>
             </sizepolicy>
            </property>
            <property name="minimumSize">
             <size>
              <width>0</width>
              <height>25</height>
             </size>
            </property>
            <property name="focusPolicy">
             <enum>Qt::NoFocus</enum>
            </property>
            <property name="lineWidth">
             <number>1</number>
            </property>
            <property name="text">
             <string>Path</string>
            </property>
            <property name="textFormat">
             <enum>Qt::AutoText</enum>
            </property>
            <property name="alignment">
             <set>Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter</set>
            </property>
           </widget>
          </item>
          <item row="0" column="1">
           <widget class="QLineEdit" name="parameter_file_edit">
            <property name="minimumSize">
             <size>
              <width>350</width>
              <height>25</height>
             </size>
            </property>
            <property name="focusPolicy">
             <enum>Qt::StrongFocus</enum>
            </property>
            <property name="text">
             <string notr="true">bond_lengths/BondOrder.xml</string>
            </property>
            <property name="maxLength">
             <number>32767</number>
            </property>
            <property name="frame">
             <bool>true</bool>
            </property>
            <property name="echoMode">
             <enum>QLineEdit::Normal</enum>
            </property>
            <property name="alignment">
             <set>Qt::AlignLeading</set>
            </property>
           </widget>
          </item>
          <item row="0" column="2">
           <widget class="QPushButton" name="browse_button">
            <property name="enabled">
             <bool>true</bool>
            </property>
            <property name="minimumSize">
             <size>
              <width>50</width>
              <height>25</height>
             </size>
            </property>
            <property name="focusPolicy">
             <enum>Qt::TabFocus</enum>
            </property>
            <property name="toolTip">
             <string>Browse your computer for amber file</string>
            </property>
            <property name="text">
             <string>Browse</string>
            </property>
            <property name="autoDefault">
             <bool>true</bool>
            </property>
           </widget>
          </item>
         </layout>
        </widget>
       </item>
       <item row="1" column="0">
        <widget class="QGroupBox" name="groupBox_5">
         <property name="title">
          <string>Number of Solutions</string>
         </property>
         <property name="alignment">
          <set>Qt::AlignHCenter</set>
         </property>
         <property name="checked">
          <bool>false</bool>
         </property>
         <layout class="QGridLayout" name="gridLayout_2">
          <item row="0" column="0">
           <widget class="QRadioButton" name="single_solution_button">
            <property name="enabled">
             <bool>true</bool>
            </property>
            <property name="text">
             <string>single solution</string>
            </property>
            <property name="checked">
             <bool>true</bool>
            </property>
           </widget>
          </item>
          <item row="1" column="0" colspan="2">
           <widget class="QRadioButton" name="all_optimal_solutions_button">
            <property name="enabled">
             <bool>true</bool>
            </property>
            <property name="minimumSize">
             <size>
              <width>250</width>
              <height>0</height>
             </size>
            </property>
            <property name="text">
             <string>all optimal solutions</string>
            </property>
            <property name="checked">
             <bool>false</bool>
            </property>
           </widget>
          </item>
          <item row="2" column="0">
           <widget class="QRadioButton" name="n_opt_solutions_button">
            <property name="enabled">
             <bool>true</bool>
            </property>
            <property name="text">
             <string>all optimal solutions but max.</string>
            </property>
            <property name="checked">
             <bool>false</bool>
            </property>
           </widget>
          </item>
          <item row="2" column="1">
           <widget class="QLineEdit" name="max_n_opt_solutions">
            <property name="enabled">
             <bool>true</bool>
            </property>
            <property name="sizePolicy">
             <sizepolicy hsizetype="Preferred" vsizetype="Fixed">
              <horstretch>0</horstretch>
              <verstretch>0</verstretch>
             </sizepolicy>
            </property>
            <property name="maximumSize">
             <size>
              <width>50</width>
              <height>32767</height>
             </size>
            </property>
            <property name="text">
             <string notr="true">25</string>
            </property>
            <property name="alignment">
             <set>Qt::AlignRight</set>
            </property>
           </widget>
          </item>
          <item row="3" column="0">
           <widget class="QRadioButton" name="n_all_solutions_button">
            <property name="enabled">
             <bool>true</bool>
            </property>
            <property name="text">
             <string>all solutions but max.</string>
            </property>
            <property name="checked">
             <bool>false</bool>
            </property>
           </widget>
          </item>
          <item row="3" column="1">
           <widget class="QLineEdit" name="max_n_all_solutions">
            <property name="enabled">
             <bool>true</bool>
            </property>
            <property name="sizePolicy">
             <sizepolicy hsizetype="Preferred" vsizetype="Fixed">
              <horstretch>0</horstretch>
              <verstretch>0</verstretch>
             </sizepolicy>
            </property>
            <property name="maximumSize">
             <size>
              <width>50</width>
              <height>32767</height>
             </size>
            </property>
            <property name="text">
             <string notr="true">25</string>
            </property>
            <property name="alignment">
             <set>Qt::AlignRight</set>
            </property>
           </widget>
          </item>
         </layout>
        </widget>
       </item>
       <item row="2" column="0">
        <widget class="QGroupBox" name="strategy_gbox">
         <property name="title">
          <string>Algorithm</string>
         </property>
         <property name="alignment">
          <set>Qt::AlignHCenter</set>
         </property>
         <property name="checked">
          <bool>false</bool>
         </property>
         <layout class="QHBoxLayout" name="horizontalLayout_2">
          <item>
           <widget class="QRadioButton" name="ASTAR_button">
            <property name="enabled">
             <bool>true</bool>
            </property>
            <property name="text">
             <string>A-Star</string>
            </property>
            <property name="checked">
             <bool>true</bool>
            </property>
           </widget>
          </item>
          <item>
           <widget class="QRadioButton" name="FPT_button">
            <property name="text">
             <string>FPT</string>
            </property>
           </widget>
          </item>
          <item>
           <widget class="QRadioButton" name="ILP_button">
            <property name="text">
             <string>ILP</string>
            </property>
            <property name="checked">
             <bool>false</bool>
            </property>
           </widget>
          </item>
         </layout>
        </widget>
       </item>
       <item row="2" column="1" colspan="2">
        <widget class="QGroupBox" name="groupBox_2">
         <property name="title">
          <string>Handling of Aromatic Rings</string>
         </property>
         <property name="alignment">
          <set>Qt::AlignHCenter</set>
         </property>
         <property name="checked">
          <bool>false</bool>
         </property>
         <layout class="QVBoxLayout" name="verticalLayout_2">
          <item>
           <widget class="QRadioButton" name="kekulizeBonds_button">
            <property name="enabled">
             <bool>true</bool>
            </property>
            <property name="text">
             <string>Kekulize bonds</string>
            </property>
            <property name="checked">
             <bool>true</bool>
            </property>
           </widget>
          </item>
          <item>
           <widget class="QRadioButton" name="assignBOAromatic_button">
            <property name="text">
             <string>Assign bond order Aromatic</string>
            </property>
            <property name="checked">
             <bool>false</bool>
            </property>
           </widget>
          </item>
         </layout>
        </widget>
       </item>
       <item row="1" column="1" colspan="2">
        <widget class="QGroupBox" name="restrictions_groupBox">
         <property name="title">
          <string>Restrictions</string>
         </property>
         <property name="alignment">
          <set>Qt::AlignHCenter</set>
         </property>
         <property name="flat">
          <bool>false</bool>
         </property>
         <layout class="QGridLayout" name="gridLayout_4">
          <item row="0" column="0">
           <widget class="QLabel" name="label">
            <property name="text">
             <string>In addition to unknown bond orders:</string>
            </property>
           </widget>
          </item>
          <item row="1" column="0">
           <widget class="QCheckBox" name="overwrite_singleBO_box">
            <property name="text">
             <string>Overwrite bond order Single</string>
            </property>
            <property name="checked">
             <bool>true</bool>
            </property>
           </widget>
          </item>
          <item row="2" column="0">
           <widget class="QCheckBox" name="overwrite_doubleBO_box">
            <property name="text">
             <string>Overwrite bond order Double</string>
            </property>
            <property name="checked">
             <bool>true</bool>
            </property>
           </widget>
          </item>
          <item row="3" column="0">
           <widget class="QCheckBox" name="overwrite_tripleBO_box">
            <property name="text">
             <string>Overwrite bond order Triple</string>
            </property>
            <property name="checked">
             <bool>true</bool>
            </property>
           </widget>
          </item>
          <item row="4" column="0">
           <widget class="QCheckBox" name="overwrite_selected_bonds_box">
            <property name="enabled">
             <bool>true</bool>
            </property>
            <property name="text">
             <string>Overwrite selected bonds</string>
            </property>
            <property name="checked">
             <bool>false</bool>
            </property>
           </widget>
          </item>
         </layout>
        </widget>
       </item>
      </layout>
     </widget>
     <widget class="QWidget" name="advanced_tab">
      <attribute name="title">
       <string>Advanced</string>
      </attribute>
      <widget class="QGroupBox" name="ASTAR_groupBox">
       <property name="geometry">
        <rect>
         <x>0</x>
         <y>10</y>
         <width>321</width>
         <height>191</height>
        </rect>
       </property>
       <property name="title">
        <string>A-Star</string>
       </property>
       <layout class="QGridLayout" name="gridLayout_5">
        <item row="0" column="0">
         <widget class="QGroupBox" name="bond_length_groupBox">
          <property name="title">
           <string>Penalty Balance Factor</string>
          </property>
          <property name="alignment">
           <set>Qt::AlignHCenter</set>
          </property>
          <property name="checked">
           <bool>false</bool>
          </property>
          <layout class="QVBoxLayout" name="verticalLayout_3">
           <item>
            <layout class="QGridLayout">
             <property name="margin">
              <number>0</number>
             </property>
             <property name="spacing">
              <number>6</number>
             </property>
             <item row="0" column="0">
              <widget class="QLabel" name="atom_penalty_balance_label">
               <property name="mouseTracking">
                <bool>false</bool>
               </property>
               <property name="text">
                <string>Atom type</string>
               </property>
              </widget>
             </item>
             <item row="0" column="1">
              <widget class="QSlider" name="penalty_balance_slider">
               <property name="maximum">
                <number>100</number>
               </property>
               <property name="value">
                <number>0</number>
               </property>
               <property name="sliderPosition">
                <number>0</number>
               </property>
               <property name="orientation">
                <enum>Qt::Horizontal</enum>
               </property>
              </widget>
             </item>
             <item row="0" column="2">
              <widget class="QLabel" name="bond_penalty_balance_label">
               <property name="mouseTracking">
                <bool>false</bool>
               </property>
               <property name="text">
                <string>Bond Length</string>
               </property>
              </widget>
             </item>
            </layout>
           </item>
           <item>
            <layout class="QHBoxLayout">
             <property name="spacing">
              <number>6</number>
             </property>
             <property name="margin">
              <number>0</number>
             </property>
             <item>
              <widget class="QLabel" name="atom_type_penalty_label">
               <property name="text">
                <string notr="true">100</string>
               </property>
               <property name="alignment">
                <set>Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter</set>
               </property>
              </widget>
             </item>
             <item>
              <widget class="QLabel" name="bond_length_penalty_label_3">
               <property name="text">
                <string notr="true">%</string>
               </property>
               <property name="textFormat">
                <enum>Qt::RichText</enum>
               </property>
               <property name="alignment">
                <set>Qt::AlignLeading|Qt::AlignLeft|Qt::AlignVCenter</set>
               </property>
              </widget>
             </item>
             <item>
              <spacer>
               <property name="orientation">
                <enum>Qt::Horizontal</enum>
               </property>
               <property name="sizeHint" stdset="0">
                <size>
                 <width>171</width>
                 <height>20</height>
                </size>
               </property>
              </spacer>
             </item>
             <item>
              <widget class="QLabel" name="bond_length_penalty_label">
               <property name="text">
                <string notr="true">0</string>
               </property>
               <property name="textFormat">
                <enum>Qt::RichText</enum>
               </property>
               <property name="alignment">
                <set>Qt::AlignLeading|Qt::AlignLeft|Qt::AlignVCenter</set>
               </property>
              </widget>
             </item>
             <item>
              <widget class="QLabel" name="bond_length_penalty_label_2">
               <property name="text">
                <string notr="true">%</string>
               </property>
               <property name="textFormat">
                <enum>Qt::RichText</enum>
               </property>
               <property name="alignment">
                <set>Qt::AlignLeading|Qt::AlignLeft|Qt::AlignVCenter</set>
               </property>
              </widget>
             </item>
            </layout>
           </item>
          </layout>
         </widget>
        </item>
        <item row="1" column="0">
         <widget class="QGroupBox" name="hydrogen_check_options">
          <property name="enabled">
           <bool>true</bool>
          </property>
          <property name="minimumSize">
           <size>
            <width>0</width>
            <height>0</height>
           </size>
          </property>
          <property name="title">
           <string/>
          </property>
          <property name="alignment">
           <set>Qt::AlignHCenter</set>
          </property>
          <property name="checkable">
           <bool>false</bool>
          </property>
          <layout class="QVBoxLayout" name="verticalLayout_8">
           <item>
            <widget class="QCheckBox" name="add_hydrogens_checkBox">
             <property name="enabled">
              <bool>true</bool>
             </property>
             <property name="minimumSize">
              <size>
               <width>250</width>
               <height>0</height>
              </size>
             </property>
             <property name="text">
              <string>Add Hydrogens</string>
             </property>
             <property name="checked">
              <bool>false</bool>
             </property>
            </widget>
           </item>
          </layout>
         </widget>
        </item>
       </layout>
      </widget>
     </widget>
    </widget>
   </item>
  </layout>
 </widget>
 <layoutdefault spacing="6" margin="11"/>
 <tabstops>
  <tabstop>single_solution_button</tabstop>
  <tabstop>all_optimal_solutions_button</tabstop>
  <tabstop>n_opt_solutions_button</tabstop>
  <tabstop>max_n_opt_solutions</tabstop>
  <tabstop>n_all_solutions_button</tabstop>
  <tabstop>kekulizeBonds_button</tabstop>
  <tabstop>assignBOAromatic_button</tabstop>
  <tabstop>penalty_balance_slider</tabstop>
  <tabstop>overwrite_singleBO_box</tabstop>
  <tabstop>overwrite_doubleBO_box</tabstop>
  <tabstop>overwrite_tripleBO_box</tabstop>
  <tabstop>overwrite_selected_bonds_box</tabstop>
 </tabstops>
 <includes>
  <include location="global">BALL/COMMON/global.h</include>
 </includes>
 <resources/>
 <connections>
  <connection>
   <sender>buttonBox</sender>
   <signal>clicked(QAbstractButton*)</signal>
   <receiver>AssignBondOrderConfigurationDialogData</receiver>
   <slot>dialogButtonClicked_(QAbstractButton*)</slot>
   <hints>
    <hint type="sourcelabel">
     <x>293</x>
     <y>399</y>
    </hint>
    <hint type="destinationlabel">
     <x>339</x>
     <y>483</y>
    </hint>
   </hints>
  </connection>
  <connection>
   <sender>buttonBox</sender>
   <signal>accepted()</signal>
   <receiver>AssignBondOrderConfigurationDialogData</receiver>
   <slot>accept()</slot>
   <hints>
    <hint type="sourcelabel">
     <x>437</x>
     <y>390</y>
    </hint>
    <hint type="destinationlabel">
     <x>421</x>
     <y>508</y>
    </hint>
   </hints>
  </connection>
  <connection>
   <sender>buttonBox</sender>
   <signal>rejected()</signal>
   <receiver>AssignBondOrderConfigurationDialogData</receiver>
   <slot>reject()</slot>
   <hints>
    <hint type="sourcelabel">
     <x>523</x>
     <y>399</y>
    </hint>
    <hint type="destinationlabel">
     <x>502</x>
     <y>469</y>
    </hint>
   </hints>
  </connection>
 </connections>
 <slots>
  <slot>dialogButtonClicked_(QAbstractButton*)</slot>
 </slots>
</ui>
