mainwindow.ui

<?xml version="1.0" encoding="UTF-8"?>
<ui version="4.0">
 <class>MainWindow</class>
 <widget class="QMainWindow" name="MainWindow">
  <property name="geometry">
   <rect>
    <x>0</x>
    <y>0</y>
    <width>681</width>
    <height>614</height>
   </rect>
  </property>
  <property name="minimumSize">
   <size>
    <width>400</width>
    <height>400</height>
   </size>
  </property>
  <property name="windowTitle">
   <string>Prometheus: The Open Chemical Physics Suite</string>
  </property>
  <widget class="QWidget" name="centralWidget">
   <layout class="QHBoxLayout" name="horizontalLayout_7">
    <item>
     <layout class="QVBoxLayout" name="verticalLayout_2">
      <item>
       <widget class="QPushButton" name="viewTool">
        <property name="maximumSize">
         <size>
          <width>80</width>
          <height>16777215</height>
         </size>
        </property>
        <property name="toolTip">
         <string>View Tool</string>
        </property>
        <property name="text">
         <string>View</string>
        </property>
        <property name="checkable">
         <bool>true</bool>
        </property>
        <property name="checked">
         <bool>true</bool>
        </property>
        <property name="autoExclusive">
         <bool>true</bool>
        </property>
        <property name="default">
         <bool>false</bool>
        </property>
        <property name="flat">
         <bool>false</bool>
        </property>
       </widget>
      </item>
      <item>
       <widget class="QPushButton" name="selectTool">
        <property name="maximumSize">
         <size>
          <width>80</width>
          <height>16777215</height>
         </size>
        </property>
        <property name="toolTip">
         <string>Select Tool</string>
        </property>
        <property name="text">
         <string>Select</string>
        </property>
        <property name="checkable">
         <bool>true</bool>
        </property>
        <property name="autoExclusive">
         <bool>true</bool>
        </property>
       </widget>
      </item>
      <item>
       <widget class="QPushButton" name="atomTool">
        <property name="maximumSize">
         <size>
          <width>80</width>
          <height>16777215</height>
         </size>
        </property>
        <property name="toolTip">
         <string>Build Atom Tool</string>
        </property>
        <property name="text">
         <string>Atom</string>
        </property>
        <property name="checkable">
         <bool>true</bool>
        </property>
        <property name="autoExclusive">
         <bool>true</bool>
        </property>
       </widget>
      </item>
      <item>
       <widget class="QPushButton" name="deleteTool">
        <property name="maximumSize">
         <size>
          <width>80</width>
          <height>16777215</height>
         </size>
        </property>
        <property name="toolTip">
         <string>Delete Tool</string>
        </property>
        <property name="text">
         <string>Delete</string>
        </property>
        <property name="checkable">
         <bool>true</bool>
        </property>
        <property name="autoExclusive">
         <bool>true</bool>
        </property>
       </widget>
      </item>
      <item>
       <widget class="QPushButton" name="measureTool">
        <property name="maximumSize">
         <size>
          <width>80</width>
          <height>16777215</height>
         </size>
        </property>
        <property name="toolTip">
         <string>Measurement Tool</string>
        </property>
        <property name="text">
         <string>Measure</string>
        </property>
        <property name="checkable">
         <bool>true</bool>
        </property>
        <property name="autoExclusive">
         <bool>true</bool>
        </property>
       </widget>
      </item>
      <item>
       <widget class="QPushButton" name="increaseBondOrderTool">
        <property name="maximumSize">
         <size>
          <width>80</width>
          <height>16777215</height>
         </size>
        </property>
        <property name="toolTip">
         <string>Increase Bond Order</string>
        </property>
        <property name="text">
         <string>+ BO</string>
        </property>
        <property name="checkable">
         <bool>true</bool>
        </property>
        <property name="autoExclusive">
         <bool>true</bool>
        </property>
       </widget>
      </item>
      <item>
       <widget class="QPushButton" name="decreaseBondOrderTool">
        <property name="maximumSize">
         <size>
          <width>80</width>
          <height>16777215</height>
         </size>
        </property>
        <property name="toolTip">
         <string>Decrease Bond Order</string>
        </property>
        <property name="text">
         <string>- BO</string>
        </property>
        <property name="checkable">
         <bool>true</bool>
        </property>
        <property name="autoExclusive">
         <bool>true</bool>
        </property>
       </widget>
      </item>
      <item>
       <spacer name="verticalSpacer_2">
        <property name="orientation">
         <enum>Qt::Vertical</enum>
        </property>
        <property name="sizeHint" stdset="0">
         <size>
          <width>65</width>
          <height>228</height>
         </size>
        </property>
       </spacer>
      </item>
      <item>
       <widget class="QPushButton" name="elements">
        <property name="maximumSize">
         <size>
          <width>80</width>
          <height>16777215</height>
         </size>
        </property>
        <property name="toolTip">
         <string>Select Builder Element</string>
        </property>
        <property name="text">
         <string>Elements</string>
        </property>
        <property name="checkable">
         <bool>false</bool>
        </property>
       </widget>
      </item>
     </layout>
    </item>
    <item>
     <widget class="QTabWidget" name="tabWidget">
      <property name="minimumSize">
       <size>
        <width>200</width>
        <height>0</height>
       </size>
      </property>
      <property name="tabShape">
       <enum>QTabWidget::Rounded</enum>
      </property>
      <property name="currentIndex">
       <number>1</number>
      </property>
      <property name="usesScrollButtons">
       <bool>true</bool>
      </property>
      <property name="tabsClosable">
       <bool>false</bool>
      </property>
      <property name="movable">
       <bool>false</bool>
      </property>
      <widget class="QWidget" name="tab">
       <attribute name="title">
        <string>Model Overview</string>
       </attribute>
       <layout class="QHBoxLayout" name="horizontalLayout_2">
        <item>
         <widget class="QListWidget" name="atlasList"/>
        </item>
       </layout>
      </widget>
      <widget class="QWidget" name="tab_2">
       <attribute name="title">
        <string>Model Options</string>
       </attribute>
       <layout class="QHBoxLayout" name="horizontalLayout_3">
        <item>
         <widget class="QTabWidget" name="tabWidget_2">
          <property name="currentIndex">
           <number>0</number>
          </property>
          <widget class="QWidget" name="DisplayTab">
           <attribute name="title">
            <string>Display</string>
           </attribute>
           <layout class="QVBoxLayout" name="verticalLayout_3">
            <item>
             <widget class="QLabel" name="label">
              <property name="text">
               <string>Model Representation Style</string>
              </property>
             </widget>
            </item>
            <item>
             <widget class="QComboBox" name="comboBox_RepresentationStyle">
              <item>
               <property name="text">
                <string>Ball and Stick</string>
               </property>
              </item>
              <item>
               <property name="text">
                <string>Dreiding (Licorice)</string>
               </property>
              </item>
              <item>
               <property name="text">
                <string>Space Filling (CPK)</string>
               </property>
              </item>
              <item>
               <property name="text">
                <string>Wireframe (Vector)</string>
               </property>
              </item>
              <item>
               <property name="text">
                <string>Enhanced Wireframe</string>
               </property>
              </item>
             </widget>
            </item>
            <item>
             <widget class="Line" name="line">
              <property name="orientation">
               <enum>Qt::Horizontal</enum>
              </property>
             </widget>
            </item>
            <item>
             <widget class="QLabel" name="label_3">
              <property name="text">
               <string>Model Paint Style</string>
              </property>
             </widget>
            </item>
            <item>
             <widget class="QComboBox" name="comboBox_PaintStyle">
              <property name="minimumSize">
               <size>
                <width>230</width>
                <height>0</height>
               </size>
              </property>
              <property name="currentIndex">
               <number>1</number>
              </property>
              <item>
               <property name="text">
                <string>Chain ID</string>
               </property>
              </item>
              <item>
               <property name="text">
                <string>Element</string>
               </property>
              </item>
              <item>
               <property name="text">
                <string>Energy - Kinetic</string>
               </property>
              </item>
              <item>
               <property name="text">
                <string>Energy - Potential</string>
               </property>
              </item>
              <item>
               <property name="text">
                <string>Energy - Total</string>
               </property>
              </item>
              <item>
               <property name="text">
                <string>Entropy</string>
               </property>
              </item>
              <item>
               <property name="text">
                <string>Force Field Type</string>
               </property>
              </item>
              <item>
               <property name="text">
                <string>Index</string>
               </property>
              </item>
              <item>
               <property name="text">
                <string>Mass</string>
               </property>
              </item>
              <item>
               <property name="text">
                <string>Molecule Group</string>
               </property>
              </item>
              <item>
               <property name="text">
                <string>Occupancy</string>
               </property>
              </item>
              <item>
               <property name="text">
                <string>Oxidation State</string>
               </property>
              </item>
              <item>
               <property name="text">
                <string>Residue Type</string>
               </property>
              </item>
              <item>
               <property name="text">
                <string>Residue ID</string>
               </property>
              </item>
              <item>
               <property name="text">
                <string>Partial Charge</string>
               </property>
              </item>
              <item>
               <property name="text">
                <string>Position - X</string>
               </property>
              </item>
              <item>
               <property name="text">
                <string>Position - Y</string>
               </property>
              </item>
              <item>
               <property name="text">
                <string>Position - Z</string>
               </property>
              </item>
              <item>
               <property name="text">
                <string>Position - Radial</string>
               </property>
              </item>
              <item>
               <property name="text">
                <string>Pressure</string>
               </property>
              </item>
              <item>
               <property name="text">
                <string>Velocity</string>
               </property>
              </item>
             </widget>
            </item>
            <item>
             <layout class="QHBoxLayout" name="horizontalLayout_5">
              <item>
               <widget class="QPushButton" name="EditPaintColors">
                <property name="text">
                 <string>Edit Paint Colors</string>
                </property>
               </widget>
              </item>
              <item>
               <spacer name="horizontalSpacer">
                <property name="orientation">
                 <enum>Qt::Horizontal</enum>
                </property>
                <property name="sizeHint" stdset="0">
                 <size>
                  <width>40</width>
                  <height>20</height>
                 </size>
                </property>
               </spacer>
              </item>
             </layout>
            </item>
            <item>
             <widget class="Line" name="line_3">
              <property name="orientation">
               <enum>Qt::Horizontal</enum>
              </property>
             </widget>
            </item>
            <item>
             <widget class="QLabel" name="label_4">
              <property name="text">
               <string>Atomic Label Style</string>
              </property>
             </widget>
            </item>
            <item>
             <widget class="QComboBox" name="comboBox_LabelStyle">
              <item>
               <property name="text">
                <string>None</string>
               </property>
              </item>
              <item>
               <property name="text">
                <string>Atom Name</string>
               </property>
              </item>
              <item>
               <property name="text">
                <string>Element</string>
               </property>
              </item>
              <item>
               <property name="text">
                <string>Force Field Type</string>
               </property>
              </item>
              <item>
               <property name="text">
                <string>Partial Charge</string>
               </property>
              </item>
             </widget>
            </item>
            <item>
             <widget class="Line" name="line_4">
              <property name="orientation">
               <enum>Qt::Horizontal</enum>
              </property>
             </widget>
            </item>
            <item>
             <spacer name="verticalSpacer_3">
              <property name="orientation">
               <enum>Qt::Vertical</enum>
              </property>
              <property name="sizeHint" stdset="0">
               <size>
                <width>20</width>
                <height>160</height>
               </size>
              </property>
             </spacer>
            </item>
           </layout>
          </widget>
          <widget class="QWidget" name="FFSetupTab">
           <attribute name="title">
            <string>Force Field Setup</string>
           </attribute>
           <layout class="QVBoxLayout" name="verticalLayout_7">
            <item>
             <widget class="QLabel" name="label_7">
              <property name="text">
               <string>Force Field Typing</string>
              </property>
             </widget>
            </item>
            <item>
             <widget class="QComboBox" name="comboBox_Typing">
              <item>
               <property name="text">
                <string>AIREBO      (Adaptive Intermolecular Reactive Emperical Bond Order)</string>
               </property>
              </item>
              <item>
               <property name="text">
                <string>AMBER       (Assisted Model Building with Energy Refinement)</string>
               </property>
              </item>
              <item>
               <property name="text">
                <string>CHARMM   (Chemistry at HARvard Molecular Mechanics)</string>
               </property>
              </item>
              <item>
               <property name="text">
                <string>DREIDING</string>
               </property>
              </item>
              <item>
               <property name="text">
                <string>GAFF         (Generalized AMBER Force Field)</string>
               </property>
              </item>
              <item>
               <property name="text">
                <string>ReaxFF      (Reactive Force Field)</string>
               </property>
              </item>
              <item>
               <property name="text">
                <string>REBO         (Reactive Emperical Bond Order)</string>
               </property>
              </item>
              <item>
               <property name="text">
                <string>UFF           (Universal Force Field)</string>
               </property>
              </item>
             </widget>
            </item>
            <item>
             <layout class="QHBoxLayout" name="horizontalLayout">
              <item>
               <widget class="QPushButton" name="pushButton_AssignAtomTypes">
                <property name="minimumSize">
                 <size>
                  <width>150</width>
                  <height>0</height>
                 </size>
                </property>
                <property name="text">
                 <string>Assign Atom Types</string>
                </property>
               </widget>
              </item>
              <item>
               <spacer name="horizontalSpacer_2">
                <property name="orientation">
                 <enum>Qt::Horizontal</enum>
                </property>
                <property name="sizeHint" stdset="0">
                 <size>
                  <width>40</width>
                  <height>20</height>
                 </size>
                </property>
               </spacer>
              </item>
             </layout>
            </item>
            <item>
             <widget class="Line" name="line_5">
              <property name="orientation">
               <enum>Qt::Horizontal</enum>
              </property>
             </widget>
            </item>
            <item>
             <widget class="QLabel" name="label_8">
              <property name="text">
               <string>Charge Equilibration (QEq)</string>
              </property>
             </widget>
            </item>
            <item>
             <layout class="QHBoxLayout" name="horizontalLayout_6">
              <item>
               <widget class="QLabel" name="label_9">
                <property name="text">
                 <string>Final Net Charge</string>
                </property>
               </widget>
              </item>
              <item>
               <widget class="QDoubleSpinBox" name="netChargeSpinBox">
                <property name="minimumSize">
                 <size>
                  <width>70</width>
                  <height>0</height>
                 </size>
                </property>
                <property name="minimum">
                 <double>-100.000000000000000</double>
                </property>
                <property name="maximum">
                 <double>100.000000000000000</double>
                </property>
                <property name="singleStep">
                 <double>0.010000000000000</double>
                </property>
               </widget>
              </item>
              <item>
               <widget class="QPushButton" name="QEQpushButton">
                <property name="minimumSize">
                 <size>
                  <width>150</width>
                  <height>0</height>
                 </size>
                </property>
                <property name="text">
                 <string>Assign Partial Charges</string>
                </property>
               </widget>
              </item>
              <item>
               <spacer name="horizontalSpacer_4">
                <property name="orientation">
                 <enum>Qt::Horizontal</enum>
                </property>
                <property name="sizeHint" stdset="0">
                 <size>
                  <width>40</width>
                  <height>20</height>
                 </size>
                </property>
               </spacer>
              </item>
             </layout>
            </item>
            <item>
             <widget class="Line" name="line_6">
              <property name="orientation">
               <enum>Qt::Horizontal</enum>
              </property>
             </widget>
            </item>
            <item>
             <spacer name="verticalSpacer_7">
              <property name="orientation">
               <enum>Qt::Vertical</enum>
              </property>
              <property name="sizeHint" stdset="0">
               <size>
                <width>68</width>
                <height>213</height>
               </size>
              </property>
             </spacer>
            </item>
           </layout>
          </widget>
         </widget>
        </item>
       </layout>
      </widget>
      <widget class="QWidget" name="ViewerOptionsTab">
       <attribute name="title">
        <string>Viewer Settings</string>
       </attribute>
       <layout class="QVBoxLayout" name="verticalLayout">
        <item>
         <widget class="QLabel" name="label_2">
          <property name="text">
           <string>Viewer Projection Method</string>
          </property>
         </widget>
        </item>
        <item>
         <widget class="QComboBox" name="comboBox_ProjectionMethod">
          <item>
           <property name="text">
            <string>Perspective</string>
           </property>
          </item>
          <item>
           <property name="text">
            <string>Orthogonal</string>
           </property>
          </item>
         </widget>
        </item>
        <item>
         <widget class="Line" name="line_2">
          <property name="orientation">
           <enum>Qt::Horizontal</enum>
          </property>
         </widget>
        </item>
        <item>
         <spacer name="verticalSpacer">
          <property name="orientation">
           <enum>Qt::Vertical</enum>
          </property>
          <property name="sizeHint" stdset="0">
           <size>
            <width>20</width>
            <height>399</height>
           </size>
          </property>
         </spacer>
        </item>
       </layout>
      </widget>
      <widget class="QWidget" name="tab_3">
       <attribute name="title">
        <string>Bitmap</string>
       </attribute>
       <layout class="QVBoxLayout" name="verticalLayout_6">
        <item>
         <widget class="QPushButton" name="toggleBitmap">
          <property name="text">
           <string>Toggle Bitmap Mode</string>
          </property>
          <property name="checkable">
           <bool>true</bool>
          </property>
         </widget>
        </item>
        <item>
         <spacer name="verticalSpacer_5">
          <property name="orientation">
           <enum>Qt::Vertical</enum>
          </property>
          <property name="sizeHint" stdset="0">
           <size>
            <width>20</width>
            <height>74</height>
           </size>
          </property>
         </spacer>
        </item>
        <item>
         <layout class="QHBoxLayout" name="horizontalLayout_4">
          <item>
           <layout class="QVBoxLayout" name="verticalLayout_4">
            <item>
             <widget class="QLabel" name="label_5">
              <property name="text">
               <string>Height</string>
              </property>
             </widget>
            </item>
            <item>
             <widget class="QSpinBox" name="spinBox_height">
              <property name="minimum">
               <number>1</number>
              </property>
              <property name="maximum">
               <number>100</number>
              </property>
             </widget>
            </item>
           </layout>
          </item>
          <item>
           <layout class="QVBoxLayout" name="verticalLayout_5">
            <item>
             <widget class="QLabel" name="label_6">
              <property name="text">
               <string>Width</string>
              </property>
             </widget>
            </item>
            <item>
             <widget class="QSpinBox" name="spinBox_width">
              <property name="minimum">
               <number>1</number>
              </property>
              <property name="maximum">
               <number>100</number>
              </property>
             </widget>
            </item>
           </layout>
          </item>
         </layout>
        </item>
        <item>
         <widget class="QPushButton" name="createBitmapGrid">
          <property name="text">
           <string>Create Bitmap Grid</string>
          </property>
         </widget>
        </item>
        <item>
         <spacer name="verticalSpacer_6">
          <property name="orientation">
           <enum>Qt::Vertical</enum>
          </property>
          <property name="sizeHint" stdset="0">
           <size>
            <width>20</width>
            <height>74</height>
           </size>
          </property>
         </spacer>
        </item>
        <item>
         <widget class="QPushButton" name="pushButton">
          <property name="text">
           <string>Print Bitmap</string>
          </property>
         </widget>
        </item>
        <item>
         <spacer name="verticalSpacer_4">
          <property name="orientation">
           <enum>Qt::Vertical</enum>
          </property>
          <property name="sizeHint" stdset="0">
           <size>
            <width>20</width>
            <height>118</height>
           </size>
          </property>
         </spacer>
        </item>
       </layout>
      </widget>
     </widget>
    </item>
   </layout>
  </widget>
  <widget class="QMenuBar" name="menuBar">
   <property name="geometry">
    <rect>
     <x>0</x>
     <y>0</y>
     <width>681</width>
     <height>22</height>
    </rect>
   </property>
   <widget class="QMenu" name="menuFile">
    <property name="title">
     <string>File</string>
    </property>
    <addaction name="actionNew_Model"/>
    <addaction name="actionOpen_Model"/>
    <addaction name="actionSave_Model"/>
    <addaction name="actionDelete_Model"/>
    <addaction name="separator"/>
    <addaction name="actionQuit_Open_Chemical_Physics_Suite"/>
   </widget>
   <addaction name="menuFile"/>
  </widget>
  <widget class="QStatusBar" name="statusBar"/>
  <widget class="QToolBar" name="mainToolBar">
   <attribute name="toolBarArea">
    <enum>TopToolBarArea</enum>
   </attribute>
   <attribute name="toolBarBreak">
    <bool>false</bool>
   </attribute>
   <addaction name="actionOpen_Model"/>
   <addaction name="actionSave_Model"/>
  </widget>
  <action name="actionFile">
   <property name="text">
    <string>File</string>
   </property>
  </action>
  <action name="actionNew_Model">
   <property name="text">
    <string>New Model...</string>
   </property>
  </action>
  <action name="actionQuit_Open_Chemical_Physics_Suite">
   <property name="text">
    <string>Quit Prometheus</string>
   </property>
  </action>
  <action name="actionDelete_Model">
   <property name="text">
    <string>Delete Model</string>
   </property>
  </action>
  <action name="actionOpen_Model">
   <property name="text">
    <string>Open Model...</string>
   </property>
  </action>
  <action name="actionSave_Model">
   <property name="text">
    <string>Save Model...</string>
   </property>
  </action>
 </widget>
 <layoutdefault spacing="6" margin="11"/>
 <resources/>
 <connections/>
</ui>