src/gromacs/selection/tests/refdata/SelectionCollectionDataTest_ComputesMassesAndChargesWithoutTopology.xml

   1 <?xml version="1.0"?>
   2 <?xml-stylesheet type="text/xsl" href="referencedata.xsl"?>
   3 <ReferenceData>
   4   <ParsedSelections Name="Parsed">
   5     <ParsedSelection Name="Selection1">
   6       <String Name="Input">atomnr 1 to 3 8 to 9</String>
   7       <String Name="Text">atomnr 1 to 3 8 to 9</String>
   8       <Bool Name="Dynamic">false</Bool>
   9     </ParsedSelection>
  10     <ParsedSelection Name="Selection2">
  11       <String Name="Input">y &gt; 2</String>
  12       <String Name="Text">y &gt; 2</String>
  13       <Bool Name="Dynamic">true</Bool>
  14     </ParsedSelection>
  15     <ParsedSelection Name="Selection3">
  16       <String Name="Input">cog of (y &gt; 2)</String>
  17       <String Name="Text">cog of (y &gt; 2)</String>
  18       <Bool Name="Dynamic">true</Bool>
  19     </ParsedSelection>
  20   </ParsedSelections>
  21   <CompiledSelections Name="Compiled">
  22     <Selection Name="Selection1">
  23       <Sequence Name="Atoms">
  24         <Int Name="Length">5</Int>
  25         <Int>0</Int>
  26         <Int>1</Int>
  27         <Int>2</Int>
  28         <Int>7</Int>
  29         <Int>8</Int>
  30       </Sequence>
  31       <Sequence Name="Positions">
  32         <Int Name="Length">5</Int>
  33         <Position>
  34           <Sequence Name="Atoms">
  35             <Int Name="Length">1</Int>
  36             <Int>0</Int>
  37           </Sequence>
  38           <Real Name="Mass">1</Real>
  39           <Real Name="Charge">0</Real>
  40         </Position>
  41         <Position>
  42           <Sequence Name="Atoms">
  43             <Int Name="Length">1</Int>
  44             <Int>1</Int>
  45           </Sequence>
  46           <Real Name="Mass">1</Real>
  47           <Real Name="Charge">0</Real>
  48         </Position>
  49         <Position>
  50           <Sequence Name="Atoms">
  51             <Int Name="Length">1</Int>
  52             <Int>2</Int>
  53           </Sequence>
  54           <Real Name="Mass">1</Real>
  55           <Real Name="Charge">0</Real>
  56         </Position>
  57         <Position>
  58           <Sequence Name="Atoms">
  59             <Int Name="Length">1</Int>
  60             <Int>7</Int>
  61           </Sequence>
  62           <Real Name="Mass">1</Real>
  63           <Real Name="Charge">0</Real>
  64         </Position>
  65         <Position>
  66           <Sequence Name="Atoms">
  67             <Int Name="Length">1</Int>
  68             <Int>8</Int>
  69           </Sequence>
  70           <Real Name="Mass">1</Real>
  71           <Real Name="Charge">0</Real>
  72         </Position>
  73       </Sequence>
  74     </Selection>
  75     <Selection Name="Selection2">
  76       <Sequence Name="Atoms">
  77         <Int Name="Length">10</Int>
  78         <Int>0</Int>
  79         <Int>1</Int>
  80         <Int>2</Int>
  81         <Int>3</Int>
  82         <Int>4</Int>
  83         <Int>5</Int>
  84         <Int>6</Int>
  85         <Int>7</Int>
  86         <Int>8</Int>
  87         <Int>9</Int>
  88       </Sequence>
  89       <Sequence Name="Positions">
  90         <Int Name="Length">10</Int>
  91         <Position>
  92           <Sequence Name="Atoms">
  93             <Int Name="Length">1</Int>
  94             <Int>0</Int>
  95           </Sequence>
  96           <Real Name="Mass">1</Real>
  97           <Real Name="Charge">0</Real>
  98         </Position>
  99         <Position>
 100           <Sequence Name="Atoms">
 101             <Int Name="Length">1</Int>
 102             <Int>1</Int>
 103           </Sequence>
 104           <Real Name="Mass">1</Real>
 105           <Real Name="Charge">0</Real>
 106         </Position>
 107         <Position>
 108           <Sequence Name="Atoms">
 109             <Int Name="Length">1</Int>
 110             <Int>2</Int>
 111           </Sequence>
 112           <Real Name="Mass">1</Real>
 113           <Real Name="Charge">0</Real>
 114         </Position>
 115         <Position>
 116           <Sequence Name="Atoms">
 117             <Int Name="Length">1</Int>
 118             <Int>3</Int>
 119           </Sequence>
 120           <Real Name="Mass">1</Real>
 121           <Real Name="Charge">0</Real>
 122         </Position>
 123         <Position>
 124           <Sequence Name="Atoms">
 125             <Int Name="Length">1</Int>
 126             <Int>4</Int>
 127           </Sequence>
 128           <Real Name="Mass">1</Real>
 129           <Real Name="Charge">0</Real>
 130         </Position>
 131         <Position>
 132           <Sequence Name="Atoms">
 133             <Int Name="Length">1</Int>
 134             <Int>5</Int>
 135           </Sequence>
 136           <Real Name="Mass">1</Real>
 137           <Real Name="Charge">0</Real>
 138         </Position>
 139         <Position>
 140           <Sequence Name="Atoms">
 141             <Int Name="Length">1</Int>
 142             <Int>6</Int>
 143           </Sequence>
 144           <Real Name="Mass">1</Real>
 145           <Real Name="Charge">0</Real>
 146         </Position>
 147         <Position>
 148           <Sequence Name="Atoms">
 149             <Int Name="Length">1</Int>
 150             <Int>7</Int>
 151           </Sequence>
 152           <Real Name="Mass">1</Real>
 153           <Real Name="Charge">0</Real>
 154         </Position>
 155         <Position>
 156           <Sequence Name="Atoms">
 157             <Int Name="Length">1</Int>
 158             <Int>8</Int>
 159           </Sequence>
 160           <Real Name="Mass">1</Real>
 161           <Real Name="Charge">0</Real>
 162         </Position>
 163         <Position>
 164           <Sequence Name="Atoms">
 165             <Int Name="Length">1</Int>
 166             <Int>9</Int>
 167           </Sequence>
 168           <Real Name="Mass">1</Real>
 169           <Real Name="Charge">0</Real>
 170         </Position>
 171       </Sequence>
 172     </Selection>
 173     <Selection Name="Selection3">
 174       <Sequence Name="Atoms">
 175         <Int Name="Length">10</Int>
 176         <Int>0</Int>
 177         <Int>1</Int>
 178         <Int>2</Int>
 179         <Int>3</Int>
 180         <Int>4</Int>
 181         <Int>5</Int>
 182         <Int>6</Int>
 183         <Int>7</Int>
 184         <Int>8</Int>
 185         <Int>9</Int>
 186       </Sequence>
 187       <Sequence Name="Positions">
 188         <Int Name="Length">1</Int>
 189         <Position>
 190           <Sequence Name="Atoms">
 191             <Int Name="Length">10</Int>
 192             <Int>0</Int>
 193             <Int>1</Int>
 194             <Int>2</Int>
 195             <Int>3</Int>
 196             <Int>4</Int>
 197             <Int>5</Int>
 198             <Int>6</Int>
 199             <Int>7</Int>
 200             <Int>8</Int>
 201             <Int>9</Int>
 202           </Sequence>
 203           <Real Name="Mass">1</Real>
 204           <Real Name="Charge">0</Real>
 205         </Position>
 206       </Sequence>
 207     </Selection>
 208   </CompiledSelections>
 209 </ReferenceData>