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

   1 <?xml version="1.0"?>
   2 <?xml-stylesheet type="text/xsl" href="referencedata.xsl"?>
   3 <ReferenceData>
   4   <InitializedPositions>
   5     <Positions>
   6       <Int Name="Count">4</Int>
   7       <String Name="Type">atoms</String>
   8       <Sequence Name="Block">
   9         <Int Name="Length">5</Int>
  10         <Int>0</Int>
  11         <Int>1</Int>
  12         <Int>2</Int>
  13         <Int>3</Int>
  14         <Int>4</Int>
  15       </Sequence>
  16       <Position>
  17         <Sequence Name="Atoms">
  18           <Int Name="Length">1</Int>
  19           <Int>0</Int>
  20         </Sequence>
  21         <Int Name="RefId">0</Int>
  22       </Position>
  23       <Position>
  24         <Sequence Name="Atoms">
  25           <Int Name="Length">1</Int>
  26           <Int>1</Int>
  27         </Sequence>
  28         <Int Name="RefId">1</Int>
  29       </Position>
  30       <Position>
  31         <Sequence Name="Atoms">
  32           <Int Name="Length">1</Int>
  33           <Int>2</Int>
  34         </Sequence>
  35         <Int Name="RefId">2</Int>
  36       </Position>
  37       <Position>
  38         <Sequence Name="Atoms">
  39           <Int Name="Length">1</Int>
  40           <Int>3</Int>
  41         </Sequence>
  42         <Int Name="RefId">3</Int>
  43       </Position>
  44     </Positions>
  45   </InitializedPositions>
  46   <EvaluatedPositions Name="Frame0">
  47     <Positions>
  48       <Int Name="Count">4</Int>
  49       <String Name="Type">atoms</String>
  50       <Sequence Name="Block">
  51         <Int Name="Length">5</Int>
  52         <Int>0</Int>
  53         <Int>1</Int>
  54         <Int>2</Int>
  55         <Int>3</Int>
  56         <Int>4</Int>
  57       </Sequence>
  58       <Position>
  59         <Sequence Name="Atoms">
  60           <Int Name="Length">1</Int>
  61           <Int>0</Int>
  62         </Sequence>
  63         <Int Name="RefId">0</Int>
  64         <Vector Name="Coordinates">
  65           <Real Name="X">0</Real>
  66           <Real Name="Y">0</Real>
  67           <Real Name="Z">0</Real>
  68         </Vector>
  69         <Vector Name="Velocity">
  70           <Real Name="X">0</Real>
  71           <Real Name="Y">0</Real>
  72           <Real Name="Z">1</Real>
  73         </Vector>
  74         <Vector Name="Force">
  75           <Real Name="X">0</Real>
  76           <Real Name="Y">0</Real>
  77           <Real Name="Z">-1</Real>
  78         </Vector>
  79       </Position>
  80       <Position>
  81         <Sequence Name="Atoms">
  82           <Int Name="Length">1</Int>
  83           <Int>1</Int>
  84         </Sequence>
  85         <Int Name="RefId">1</Int>
  86         <Vector Name="Coordinates">
  87           <Real Name="X">1</Real>
  88           <Real Name="Y">0</Real>
  89           <Real Name="Z">0</Real>
  90         </Vector>
  91         <Vector Name="Velocity">
  92           <Real Name="X">1</Real>
  93           <Real Name="Y">0</Real>
  94           <Real Name="Z">1</Real>
  95         </Vector>
  96         <Vector Name="Force">
  97           <Real Name="X">1</Real>
  98           <Real Name="Y">0</Real>
  99           <Real Name="Z">-1</Real>
 100         </Vector>
 101       </Position>
 102       <Position>
 103         <Sequence Name="Atoms">
 104           <Int Name="Length">1</Int>
 105           <Int>2</Int>
 106         </Sequence>
 107         <Int Name="RefId">2</Int>
 108         <Vector Name="Coordinates">
 109           <Real Name="X">2</Real>
 110           <Real Name="Y">0</Real>
 111           <Real Name="Z">0</Real>
 112         </Vector>
 113         <Vector Name="Velocity">
 114           <Real Name="X">2</Real>
 115           <Real Name="Y">0</Real>
 116           <Real Name="Z">1</Real>
 117         </Vector>
 118         <Vector Name="Force">
 119           <Real Name="X">2</Real>
 120           <Real Name="Y">0</Real>
 121           <Real Name="Z">-1</Real>
 122         </Vector>
 123       </Position>
 124       <Position>
 125         <Sequence Name="Atoms">
 126           <Int Name="Length">1</Int>
 127           <Int>3</Int>
 128         </Sequence>
 129         <Int Name="RefId">3</Int>
 130         <Vector Name="Coordinates">
 131           <Real Name="X">3</Real>
 132           <Real Name="Y">0</Real>
 133           <Real Name="Z">0</Real>
 134         </Vector>
 135         <Vector Name="Velocity">
 136           <Real Name="X">3</Real>
 137           <Real Name="Y">0</Real>
 138           <Real Name="Z">1</Real>
 139         </Vector>
 140         <Vector Name="Force">
 141           <Real Name="X">3</Real>
 142           <Real Name="Y">0</Real>
 143           <Real Name="Z">-1</Real>
 144         </Vector>
 145       </Position>
 146     </Positions>
 147   </EvaluatedPositions>
 148 </ReferenceData>