Improve reference data checks against same data.

Make it easier to perform multiple checks against the same reference
data using the TestReferenceChecker.  nextSearchNode_ was always NULL
when the reference data was getting written, which caused every check to
write a new reference data entry.  Now, the search is also performed as
part of writing the reference data, so that only the first check with a
particular id creates an entry, and subsequent checks perform the check
against this entry.

The analysis data tests were depending on duplicate ids behaving
differently, so changed them to also use the same pattern as elsewhere
for repeating elements, i.e., NULL ids.

Related to #651.

Change-Id: Icc0d1d68a0846bbdcc9639933e8060e56cb4b30e

diff --git a/src/gromacs/analysisdata/tests/refdata/AbstractAverageHistogramTest_ResamplesAtDoubleBinWidth.xml b/src/gromacs/analysisdata/tests/refdata/AbstractAverageHistogramTest_ResamplesAtDoubleBinWidth.xml
index 759bb25145ad2c9eeef567b17ae7a894a33a12da..1d30d5fce83e6da968fdd38e067ac8d6c2e0f37e 100644 (file)
--- a/src/gromacs/analysisdata/tests/refdata/AbstractAverageHistogramTest_ResamplesAtDoubleBinWidth.xml
+++ b/src/gromacs/analysisdata/tests/refdata/AbstractAverageHistogramTest_ResamplesAtDoubleBinWidth.xml
@@ -4,125 +4,125 @@
   <AnalysisData Name="InputData">
     <DataFrame Name="Frame0">
       <Real Name="X">1.000000</Real>
-      <Sequence Name="Y">
-        <Int Name="Length">2</Int>
+      <DataValues>
+        <Int Name="Count">2</Int>
         <DataValue>
           <Real Name="Value">2.000000</Real>
         </DataValue>
         <DataValue>
           <Real Name="Value">1.000000</Real>
         </DataValue>
-      </Sequence>
+      </DataValues>
     </DataFrame>
     <DataFrame Name="Frame1">
       <Real Name="X">1.500000</Real>
-      <Sequence Name="Y">
-        <Int Name="Length">2</Int>
+      <DataValues>
+        <Int Name="Count">2</Int>
         <DataValue>
           <Real Name="Value">1.000000</Real>
         </DataValue>
         <DataValue>
           <Real Name="Value">1.000000</Real>
         </DataValue>
-      </Sequence>
+      </DataValues>
     </DataFrame>
     <DataFrame Name="Frame2">
       <Real Name="X">2.000000</Real>
-      <Sequence Name="Y">
-        <Int Name="Length">2</Int>
+      <DataValues>
+        <Int Name="Count">2</Int>
         <DataValue>
           <Real Name="Value">3.000000</Real>
         </DataValue>
         <DataValue>
           <Real Name="Value">2.000000</Real>
         </DataValue>
-      </Sequence>
+      </DataValues>
     </DataFrame>
     <DataFrame Name="Frame3">
       <Real Name="X">2.500000</Real>
-      <Sequence Name="Y">
-        <Int Name="Length">2</Int>
+      <DataValues>
+        <Int Name="Count">2</Int>
         <DataValue>
           <Real Name="Value">4.000000</Real>
         </DataValue>
         <DataValue>
           <Real Name="Value">2.000000</Real>
         </DataValue>
-      </Sequence>
+      </DataValues>
     </DataFrame>
     <DataFrame Name="Frame4">
       <Real Name="X">3.000000</Real>
-      <Sequence Name="Y">
-        <Int Name="Length">2</Int>
+      <DataValues>
+        <Int Name="Count">2</Int>
         <DataValue>
           <Real Name="Value">2.000000</Real>
         </DataValue>
         <DataValue>
           <Real Name="Value">1.000000</Real>
         </DataValue>
-      </Sequence>
+      </DataValues>
     </DataFrame>
     <DataFrame Name="Frame5">
       <Real Name="X">3.500000</Real>
-      <Sequence Name="Y">
-        <Int Name="Length">2</Int>
+      <DataValues>
+        <Int Name="Count">2</Int>
         <DataValue>
           <Real Name="Value">0.000000</Real>
         </DataValue>
         <DataValue>
           <Real Name="Value">3.000000</Real>
         </DataValue>
-      </Sequence>
+      </DataValues>
     </DataFrame>
     <DataFrame Name="Frame6">
       <Real Name="X">4.000000</Real>
-      <Sequence Name="Y">
-        <Int Name="Length">2</Int>
+      <DataValues>
+        <Int Name="Count">2</Int>
         <DataValue>
           <Real Name="Value">1.000000</Real>
         </DataValue>
         <DataValue>
           <Real Name="Value">3.000000</Real>
         </DataValue>
-      </Sequence>
+      </DataValues>
     </DataFrame>
   </AnalysisData>
   <AnalysisData Name="ResampledHistogram">
     <DataFrame Name="Frame0">
       <Real Name="X">1.500000</Real>
-      <Sequence Name="Y">
-        <Int Name="Length">2</Int>
+      <DataValues>
+        <Int Name="Count">2</Int>
         <DataValue>
           <Real Name="Value">3.000000</Real>
         </DataValue>
         <DataValue>
           <Real Name="Value">1.414214</Real>
         </DataValue>
-      </Sequence>
+      </DataValues>
     </DataFrame>
     <DataFrame Name="Frame1">
       <Real Name="X">2.500000</Real>
-      <Sequence Name="Y">
-        <Int Name="Length">2</Int>
+      <DataValues>
+        <Int Name="Count">2</Int>
         <DataValue>
           <Real Name="Value">7.000000</Real>
         </DataValue>
         <DataValue>
           <Real Name="Value">2.828427</Real>
         </DataValue>
-      </Sequence>
+      </DataValues>
     </DataFrame>
     <DataFrame Name="Frame2">
       <Real Name="X">3.500000</Real>
-      <Sequence Name="Y">
-        <Int Name="Length">2</Int>
+      <DataValues>
+        <Int Name="Count">2</Int>
         <DataValue>
           <Real Name="Value">2.000000</Real>
         </DataValue>
         <DataValue>
           <Real Name="Value">3.162278</Real>
         </DataValue>
-      </Sequence>
+      </DataValues>
     </DataFrame>
   </AnalysisData>
 </ReferenceData>

diff --git a/src/gromacs/analysisdata/tests/refdata/AbstractAverageHistogramTest_ResamplesAtDoubleBinWidthWithIntegerBins.xml b/src/gromacs/analysisdata/tests/refdata/AbstractAverageHistogramTest_ResamplesAtDoubleBinWidthWithIntegerBins.xml
index efdfeedbdc1ea1c2267acb963b0bcbce4f4bc7ae..999553a915cacf8545acfe829403016aa42c4fb7 100644 (file)
--- a/src/gromacs/analysisdata/tests/refdata/AbstractAverageHistogramTest_ResamplesAtDoubleBinWidthWithIntegerBins.xml
+++ b/src/gromacs/analysisdata/tests/refdata/AbstractAverageHistogramTest_ResamplesAtDoubleBinWidthWithIntegerBins.xml
@@ -4,137 +4,137 @@
   <AnalysisData Name="InputData">
     <DataFrame Name="Frame0">
       <Real Name="X">1.000000</Real>
-      <Sequence Name="Y">
-        <Int Name="Length">2</Int>
+      <DataValues>
+        <Int Name="Count">2</Int>
         <DataValue>
           <Real Name="Value">2.000000</Real>
         </DataValue>
         <DataValue>
           <Real Name="Value">1.000000</Real>
         </DataValue>
-      </Sequence>
+      </DataValues>
     </DataFrame>
     <DataFrame Name="Frame1">
       <Real Name="X">1.500000</Real>
-      <Sequence Name="Y">
-        <Int Name="Length">2</Int>
+      <DataValues>
+        <Int Name="Count">2</Int>
         <DataValue>
           <Real Name="Value">1.000000</Real>
         </DataValue>
         <DataValue>
           <Real Name="Value">1.000000</Real>
         </DataValue>
-      </Sequence>
+      </DataValues>
     </DataFrame>
     <DataFrame Name="Frame2">
       <Real Name="X">2.000000</Real>
-      <Sequence Name="Y">
-        <Int Name="Length">2</Int>
+      <DataValues>
+        <Int Name="Count">2</Int>
         <DataValue>
           <Real Name="Value">3.000000</Real>
         </DataValue>
         <DataValue>
           <Real Name="Value">2.000000</Real>
         </DataValue>
-      </Sequence>
+      </DataValues>
     </DataFrame>
     <DataFrame Name="Frame3">
       <Real Name="X">2.500000</Real>
-      <Sequence Name="Y">
-        <Int Name="Length">2</Int>
+      <DataValues>
+        <Int Name="Count">2</Int>
         <DataValue>
           <Real Name="Value">4.000000</Real>
         </DataValue>
         <DataValue>
           <Real Name="Value">2.000000</Real>
         </DataValue>
-      </Sequence>
+      </DataValues>
     </DataFrame>
     <DataFrame Name="Frame4">
       <Real Name="X">3.000000</Real>
-      <Sequence Name="Y">
-        <Int Name="Length">2</Int>
+      <DataValues>
+        <Int Name="Count">2</Int>
         <DataValue>
           <Real Name="Value">2.000000</Real>
         </DataValue>
         <DataValue>
           <Real Name="Value">1.000000</Real>
         </DataValue>
-      </Sequence>
+      </DataValues>
     </DataFrame>
     <DataFrame Name="Frame5">
       <Real Name="X">3.500000</Real>
-      <Sequence Name="Y">
-        <Int Name="Length">2</Int>
+      <DataValues>
+        <Int Name="Count">2</Int>
         <DataValue>
           <Real Name="Value">0.000000</Real>
         </DataValue>
         <DataValue>
           <Real Name="Value">3.000000</Real>
         </DataValue>
-      </Sequence>
+      </DataValues>
     </DataFrame>
     <DataFrame Name="Frame6">
       <Real Name="X">4.000000</Real>
-      <Sequence Name="Y">
-        <Int Name="Length">2</Int>
+      <DataValues>
+        <Int Name="Count">2</Int>
         <DataValue>
           <Real Name="Value">1.000000</Real>
         </DataValue>
         <DataValue>
           <Real Name="Value">3.000000</Real>
         </DataValue>
-      </Sequence>
+      </DataValues>
     </DataFrame>
   </AnalysisData>
   <AnalysisData Name="ResampledHistogram">
     <DataFrame Name="Frame0">
       <Real Name="X">1.000000</Real>
-      <Sequence Name="Y">
-        <Int Name="Length">2</Int>
+      <DataValues>
+        <Int Name="Count">2</Int>
         <DataValue>
           <Real Name="Value">2.000000</Real>
         </DataValue>
         <DataValue>
           <Real Name="Value">1.000000</Real>
         </DataValue>
-      </Sequence>
+      </DataValues>
     </DataFrame>
     <DataFrame Name="Frame1">
       <Real Name="X">2.000000</Real>
-      <Sequence Name="Y">
-        <Int Name="Length">2</Int>
+      <DataValues>
+        <Int Name="Count">2</Int>
         <DataValue>
           <Real Name="Value">4.000000</Real>
         </DataValue>
         <DataValue>
           <Real Name="Value">2.236068</Real>
         </DataValue>
-      </Sequence>
+      </DataValues>
     </DataFrame>
     <DataFrame Name="Frame2">
       <Real Name="X">3.000000</Real>
-      <Sequence Name="Y">
-        <Int Name="Length">2</Int>
+      <DataValues>
+        <Int Name="Count">2</Int>
         <DataValue>
           <Real Name="Value">6.000000</Real>
         </DataValue>
         <DataValue>
           <Real Name="Value">2.236068</Real>
         </DataValue>
-      </Sequence>
+      </DataValues>
     </DataFrame>
     <DataFrame Name="Frame3">
       <Real Name="X">4.000000</Real>
-      <Sequence Name="Y">
-        <Int Name="Length">2</Int>
+      <DataValues>
+        <Int Name="Count">2</Int>
         <DataValue>
           <Real Name="Value">1.000000</Real>
         </DataValue>
         <DataValue>
           <Real Name="Value">4.242640</Real>
         </DataValue>
-      </Sequence>
+      </DataValues>
     </DataFrame>
   </AnalysisData>
 </ReferenceData>

diff --git a/src/gromacs/analysisdata/tests/refdata/AverageModuleTest_BasicTest.xml b/src/gromacs/analysisdata/tests/refdata/AverageModuleTest_BasicTest.xml
index 1b07f5708b439baab5b293a1c9b6b99a8fc8e447..2b50ff2d6477a5b221208c1e7dec1fdc5f494a4f 100644 (file)
--- a/src/gromacs/analysisdata/tests/refdata/AverageModuleTest_BasicTest.xml
+++ b/src/gromacs/analysisdata/tests/refdata/AverageModuleTest_BasicTest.xml
@@ -4,8 +4,8 @@
   <AnalysisData Name="InputData">
     <DataFrame Name="Frame0">
       <Real Name="X">1.000000</Real>
-      <Sequence Name="Y">
-        <Int Name="Length">3</Int>
+      <DataValues>
+        <Int Name="Count">3</Int>
         <DataValue>
           <Real Name="Value">0.000000</Real>
           <Real Name="Error">0.000000</Real>
@@ -18,12 +18,12 @@
           <Real Name="Value">2.000000</Real>
           <Real Name="Error">0.000000</Real>
         </DataValue>
-      </Sequence>
+      </DataValues>
     </DataFrame>
     <DataFrame Name="Frame1">
       <Real Name="X">2.000000</Real>
-      <Sequence Name="Y">
-        <Int Name="Length">3</Int>
+      <DataValues>
+        <Int Name="Count">3</Int>
         <DataValue>
           <Real Name="Value">1.000000</Real>
           <Real Name="Error">0.000000</Real>
@@ -36,12 +36,12 @@
           <Real Name="Value">1.000000</Real>
           <Real Name="Error">0.000000</Real>
         </DataValue>
-      </Sequence>
+      </DataValues>
     </DataFrame>
     <DataFrame Name="Frame2">
       <Real Name="X">3.000000</Real>
-      <Sequence Name="Y">
-        <Int Name="Length">3</Int>
+      <DataValues>
+        <Int Name="Count">3</Int>
         <DataValue>
           <Real Name="Value">2.000000</Real>
           <Real Name="Error">0.000000</Real>
@@ -54,45 +54,45 @@
           <Real Name="Value">0.000000</Real>
           <Real Name="Error">0.000000</Real>
         </DataValue>
-      </Sequence>
+      </DataValues>
     </DataFrame>
   </AnalysisData>
   <AnalysisData Name="Average">
     <DataFrame Name="Frame0">
       <Real Name="X">0.000000</Real>
-      <Sequence Name="Y">
-        <Int Name="Length">2</Int>
+      <DataValues>
+        <Int Name="Count">2</Int>
         <DataValue>
           <Real Name="Value">1.000000</Real>
         </DataValue>
         <DataValue>
           <Real Name="Value">1.000000</Real>
         </DataValue>
-      </Sequence>
+      </DataValues>
     </DataFrame>
     <DataFrame Name="Frame1">
       <Real Name="X">1.000000</Real>
-      <Sequence Name="Y">
-        <Int Name="Length">2</Int>
+      <DataValues>
+        <Int Name="Count">2</Int>
         <DataValue>
           <Real Name="Value">0.666667</Real>
         </DataValue>
         <DataValue>
           <Real Name="Value">0.577350</Real>
         </DataValue>
-      </Sequence>
+      </DataValues>
     </DataFrame>
     <DataFrame Name="Frame2">
       <Real Name="X">2.000000</Real>
-      <Sequence Name="Y">
-        <Int Name="Length">2</Int>
+      <DataValues>
+        <Int Name="Count">2</Int>
         <DataValue>
           <Real Name="Value">1.000000</Real>
         </DataValue>
         <DataValue>
           <Real Name="Value">1.000000</Real>
         </DataValue>
-      </Sequence>
+      </DataValues>
     </DataFrame>
   </AnalysisData>
 </ReferenceData>

diff --git a/src/gromacs/analysisdata/tests/refdata/AverageModuleTest_CanCustomizeXAxis.xml b/src/gromacs/analysisdata/tests/refdata/AverageModuleTest_CanCustomizeXAxis.xml
index 34f9de0f37ceceb6f8242a320e247eb99cfaa0d4..b04f97188d6721eac300c2790a0ef40338c3c4f1 100644 (file)
--- a/src/gromacs/analysisdata/tests/refdata/AverageModuleTest_CanCustomizeXAxis.xml
+++ b/src/gromacs/analysisdata/tests/refdata/AverageModuleTest_CanCustomizeXAxis.xml
@@ -4,8 +4,8 @@
   <AnalysisData Name="InputData">
     <DataFrame Name="Frame0">
       <Real Name="X">1.000000</Real>
-      <Sequence Name="Y">
-        <Int Name="Length">3</Int>
+      <DataValues>
+        <Int Name="Count">3</Int>
         <DataValue>
           <Real Name="Value">0.000000</Real>
           <Real Name="Error">0.000000</Real>
@@ -18,12 +18,12 @@
           <Real Name="Value">2.000000</Real>
           <Real Name="Error">0.000000</Real>
         </DataValue>
-      </Sequence>
+      </DataValues>
     </DataFrame>
     <DataFrame Name="Frame1">
       <Real Name="X">2.000000</Real>
-      <Sequence Name="Y">
-        <Int Name="Length">3</Int>
+      <DataValues>
+        <Int Name="Count">3</Int>
         <DataValue>
           <Real Name="Value">1.000000</Real>
           <Real Name="Error">0.000000</Real>
@@ -36,12 +36,12 @@
           <Real Name="Value">1.000000</Real>
           <Real Name="Error">0.000000</Real>
         </DataValue>
-      </Sequence>
+      </DataValues>
     </DataFrame>
     <DataFrame Name="Frame2">
       <Real Name="X">3.000000</Real>
-      <Sequence Name="Y">
-        <Int Name="Length">3</Int>
+      <DataValues>
+        <Int Name="Count">3</Int>
         <DataValue>
           <Real Name="Value">2.000000</Real>
           <Real Name="Error">0.000000</Real>
@@ -54,45 +54,45 @@
           <Real Name="Value">0.000000</Real>
           <Real Name="Error">0.000000</Real>
         </DataValue>
-      </Sequence>
+      </DataValues>
     </DataFrame>
   </AnalysisData>
   <AnalysisData Name="Average">
     <DataFrame Name="Frame0">
       <Real Name="X">0.500000</Real>
-      <Sequence Name="Y">
-        <Int Name="Length">2</Int>
+      <DataValues>
+        <Int Name="Count">2</Int>
         <DataValue>
           <Real Name="Value">1.000000</Real>
         </DataValue>
         <DataValue>
           <Real Name="Value">1.000000</Real>
         </DataValue>
-      </Sequence>
+      </DataValues>
     </DataFrame>
     <DataFrame Name="Frame1">
       <Real Name="X">1.000000</Real>
-      <Sequence Name="Y">
-        <Int Name="Length">2</Int>
+      <DataValues>
+        <Int Name="Count">2</Int>
         <DataValue>
           <Real Name="Value">0.666667</Real>
         </DataValue>
         <DataValue>
           <Real Name="Value">0.577350</Real>
         </DataValue>
-      </Sequence>
+      </DataValues>
     </DataFrame>
     <DataFrame Name="Frame2">
       <Real Name="X">1.500000</Real>
-      <Sequence Name="Y">
-        <Int Name="Length">2</Int>
+      <DataValues>
+        <Int Name="Count">2</Int>
         <DataValue>
           <Real Name="Value">1.000000</Real>
         </DataValue>
         <DataValue>
           <Real Name="Value">1.000000</Real>
         </DataValue>
-      </Sequence>
+      </DataValues>
     </DataFrame>
   </AnalysisData>
 </ReferenceData>

diff --git a/src/gromacs/analysisdata/tests/refdata/AverageModuleTest_HandlesMultipointData.xml b/src/gromacs/analysisdata/tests/refdata/AverageModuleTest_HandlesMultipointData.xml
index 37083fc729453a616f1bda3f4910a927dd6184d4..f245bd98eb22a61471561e856ad725681f339aeb 100644 (file)
--- a/src/gromacs/analysisdata/tests/refdata/AverageModuleTest_HandlesMultipointData.xml
+++ b/src/gromacs/analysisdata/tests/refdata/AverageModuleTest_HandlesMultipointData.xml
@@ -4,8 +4,8 @@
   <AnalysisData Name="InputData">
     <DataFrame Name="Frame0">
       <Real Name="X">1.000000</Real>
-      <Sequence Name="Y">
-        <Int Name="Length">3</Int>
+      <DataValues>
+        <Int Name="Count">3</Int>
         <DataValue>
           <Real Name="Value">0.000000</Real>
           <Real Name="Error">0.000000</Real>
@@ -18,9 +18,9 @@
           <Real Name="Value">2.000000</Real>
           <Real Name="Error">0.000000</Real>
         </DataValue>
-      </Sequence>
-      <Sequence Name="Y">
-        <Int Name="Length">2</Int>
+      </DataValues>
+      <DataValues>
+        <Int Name="Count">2</Int>
         <Int Name="FirstColumn">0</Int>
         <Int Name="LastColumn">1</Int>
         <DataValue>
@@ -31,21 +31,21 @@
           <Real Name="Value">0.000000</Real>
           <Real Name="Error">0.000000</Real>
         </DataValue>
-      </Sequence>
-      <Sequence Name="Y">
-        <Int Name="Length">1</Int>
+      </DataValues>
+      <DataValues>
+        <Int Name="Count">1</Int>
         <Int Name="FirstColumn">0</Int>
         <Int Name="LastColumn">0</Int>
         <DataValue>
           <Real Name="Value">2.000000</Real>
           <Real Name="Error">0.000000</Real>
         </DataValue>
-      </Sequence>
+      </DataValues>
     </DataFrame>
     <DataFrame Name="Frame1">
       <Real Name="X">2.000000</Real>
-      <Sequence Name="Y">
-        <Int Name="Length">2</Int>
+      <DataValues>
+        <Int Name="Count">2</Int>
         <Int Name="FirstColumn">0</Int>
         <Int Name="LastColumn">1</Int>
         <DataValue>
@@ -56,21 +56,21 @@
           <Real Name="Value">1.000000</Real>
           <Real Name="Error">0.000000</Real>
         </DataValue>
-      </Sequence>
-      <Sequence Name="Y">
-        <Int Name="Length">1</Int>
+      </DataValues>
+      <DataValues>
+        <Int Name="Count">1</Int>
         <Int Name="FirstColumn">0</Int>
         <Int Name="LastColumn">0</Int>
         <DataValue>
           <Real Name="Value">2.000000</Real>
           <Real Name="Error">0.000000</Real>
         </DataValue>
-      </Sequence>
+      </DataValues>
     </DataFrame>
     <DataFrame Name="Frame2">
       <Real Name="X">3.000000</Real>
-      <Sequence Name="Y">
-        <Int Name="Length">3</Int>
+      <DataValues>
+        <Int Name="Count">3</Int>
         <DataValue>
           <Real Name="Value">2.000000</Real>
           <Real Name="Error">0.000000</Real>
@@ -83,45 +83,45 @@
           <Real Name="Value">0.000000</Real>
           <Real Name="Error">0.000000</Real>
         </DataValue>
-      </Sequence>
+      </DataValues>
     </DataFrame>
   </AnalysisData>
   <AnalysisData Name="Average">
     <DataFrame Name="Frame0">
       <Real Name="X">0.000000</Real>
-      <Sequence Name="Y">
-        <Int Name="Length">2</Int>
+      <DataValues>
+        <Int Name="Count">2</Int>
         <DataValue>
           <Real Name="Value">1.333333</Real>
         </DataValue>
         <DataValue>
           <Real Name="Value">0.816497</Real>
         </DataValue>
-      </Sequence>
+      </DataValues>
     </DataFrame>
     <DataFrame Name="Frame1">
       <Real Name="X">1.000000</Real>
-      <Sequence Name="Y">
-        <Int Name="Length">2</Int>
+      <DataValues>
+        <Int Name="Count">2</Int>
         <DataValue>
           <Real Name="Value">0.500000</Real>
         </DataValue>
         <DataValue>
           <Real Name="Value">0.577350</Real>
         </DataValue>
-      </Sequence>
+      </DataValues>
     </DataFrame>
     <DataFrame Name="Frame2">
       <Real Name="X">2.000000</Real>
-      <Sequence Name="Y">
-        <Int Name="Length">2</Int>
+      <DataValues>
+        <Int Name="Count">2</Int>
         <DataValue>
           <Real Name="Value">1.000000</Real>
         </DataValue>
         <DataValue>
           <Real Name="Value">1.414214</Real>
         </DataValue>
-      </Sequence>
+      </DataValues>
     </DataFrame>
   </AnalysisData>
 </ReferenceData>

diff --git a/src/gromacs/analysisdata/tests/refdata/BinAverageModuleTest_ComputesCorrectly.xml b/src/gromacs/analysisdata/tests/refdata/BinAverageModuleTest_ComputesCorrectly.xml
index fa584c1d8750714f3d018924c23a7b3dd7c5659d..0847792a44ffb751dbbbd908c9d30c3b54fca7be 100644 (file)
--- a/src/gromacs/analysisdata/tests/refdata/BinAverageModuleTest_ComputesCorrectly.xml
+++ b/src/gromacs/analysisdata/tests/refdata/BinAverageModuleTest_ComputesCorrectly.xml
@@ -4,8 +4,8 @@
   <AnalysisData Name="InputData">
     <DataFrame Name="Frame0">
       <Real Name="X">1.000000</Real>
-      <Sequence Name="Y">
-        <Int Name="Length">2</Int>
+      <DataValues>
+        <Int Name="Count">2</Int>
         <DataValue>
           <Real Name="Value">0.700000</Real>
           <Real Name="Error">0.000000</Real>
@@ -14,9 +14,9 @@
           <Real Name="Value">0.500000</Real>
           <Real Name="Error">0.000000</Real>
         </DataValue>
-      </Sequence>
-      <Sequence Name="Y">
-        <Int Name="Length">2</Int>
+      </DataValues>
+      <DataValues>
+        <Int Name="Count">2</Int>
         <DataValue>
           <Real Name="Value">1.100000</Real>
           <Real Name="Error">0.000000</Real>
@@ -25,9 +25,9 @@
           <Real Name="Value">1.000000</Real>
           <Real Name="Error">0.000000</Real>
         </DataValue>
-      </Sequence>
-      <Sequence Name="Y">
-        <Int Name="Length">2</Int>
+      </DataValues>
+      <DataValues>
+        <Int Name="Count">2</Int>
         <DataValue>
           <Real Name="Value">2.300000</Real>
           <Real Name="Error">0.000000</Real>
@@ -36,9 +36,9 @@
           <Real Name="Value">1.000000</Real>
           <Real Name="Error">0.000000</Real>
         </DataValue>
-      </Sequence>
-      <Sequence Name="Y">
-        <Int Name="Length">2</Int>
+      </DataValues>
+      <DataValues>
+        <Int Name="Count">2</Int>
         <DataValue>
           <Real Name="Value">2.900000</Real>
           <Real Name="Error">0.000000</Real>
@@ -47,12 +47,12 @@
           <Real Name="Value">2.000000</Real>
           <Real Name="Error">0.000000</Real>
         </DataValue>
-      </Sequence>
+      </DataValues>
     </DataFrame>
     <DataFrame Name="Frame1">
       <Real Name="X">2.000000</Real>
-      <Sequence Name="Y">
-        <Int Name="Length">2</Int>
+      <DataValues>
+        <Int Name="Count">2</Int>
         <DataValue>
           <Real Name="Value">1.300000</Real>
           <Real Name="Error">0.000000</Real>
@@ -61,9 +61,9 @@
           <Real Name="Value">1.000000</Real>
           <Real Name="Error">0.000000</Real>
         </DataValue>
-      </Sequence>
-      <Sequence Name="Y">
-        <Int Name="Length">2</Int>
+      </DataValues>
+      <DataValues>
+        <Int Name="Count">2</Int>
         <DataValue>
           <Real Name="Value">2.200000</Real>
           <Real Name="Error">0.000000</Real>
@@ -72,12 +72,12 @@
           <Real Name="Value">3.000000</Real>
           <Real Name="Error">0.000000</Real>
         </DataValue>
-      </Sequence>
+      </DataValues>
     </DataFrame>
     <DataFrame Name="Frame2">
       <Real Name="X">3.000000</Real>
-      <Sequence Name="Y">
-        <Int Name="Length">2</Int>
+      <DataValues>
+        <Int Name="Count">2</Int>
         <DataValue>
           <Real Name="Value">3.300000</Real>
           <Real Name="Error">0.000000</Real>
@@ -86,9 +86,9 @@
           <Real Name="Value">0.500000</Real>
           <Real Name="Error">0.000000</Real>
         </DataValue>
-      </Sequence>
-      <Sequence Name="Y">
-        <Int Name="Length">2</Int>
+      </DataValues>
+      <DataValues>
+        <Int Name="Count">2</Int>
         <DataValue>
           <Real Name="Value">1.200000</Real>
           <Real Name="Error">0.000000</Real>
@@ -97,9 +97,9 @@
           <Real Name="Value">2.000000</Real>
           <Real Name="Error">0.000000</Real>
         </DataValue>
-      </Sequence>
-      <Sequence Name="Y">
-        <Int Name="Length">2</Int>
+      </DataValues>
+      <DataValues>
+        <Int Name="Count">2</Int>
         <DataValue>
           <Real Name="Value">1.300000</Real>
           <Real Name="Error">0.000000</Real>
@@ -108,14 +108,14 @@
           <Real Name="Value">1.000000</Real>
           <Real Name="Error">0.000000</Real>
         </DataValue>
-      </Sequence>
+      </DataValues>
     </DataFrame>
   </AnalysisData>
   <AnalysisData Name="HistogramAverage">
     <DataFrame Name="Frame0">
       <Real Name="X">1.250000</Real>
-      <Sequence Name="Y">
-        <Int Name="Length">3</Int>
+      <DataValues>
+        <Int Name="Count">3</Int>
         <DataValue>
           <Real Name="Value">1.250000</Real>
         </DataValue>
@@ -125,12 +125,12 @@
         <DataValue>
           <Real Name="Value">4.000000</Real>
         </DataValue>
-      </Sequence>
+      </DataValues>
     </DataFrame>
     <DataFrame Name="Frame1">
       <Real Name="X">1.750000</Real>
-      <Sequence Name="Y">
-        <Int Name="Length">3</Int>
+      <DataValues>
+        <Int Name="Count">3</Int>
         <DataValue>
           <Real Name="Value">0.000000</Real>
         </DataValue>
@@ -140,12 +140,12 @@
         <DataValue>
           <Real Name="Value">0.000000</Real>
         </DataValue>
-      </Sequence>
+      </DataValues>
     </DataFrame>
     <DataFrame Name="Frame2">
       <Real Name="X">2.250000</Real>
-      <Sequence Name="Y">
-        <Int Name="Length">3</Int>
+      <DataValues>
+        <Int Name="Count">3</Int>
         <DataValue>
           <Real Name="Value">2.000000</Real>
         </DataValue>
@@ -155,12 +155,12 @@
         <DataValue>
           <Real Name="Value">2.000000</Real>
         </DataValue>
-      </Sequence>
+      </DataValues>
     </DataFrame>
     <DataFrame Name="Frame3">
       <Real Name="X">2.750000</Real>
-      <Sequence Name="Y">
-        <Int Name="Length">3</Int>
+      <DataValues>
+        <Int Name="Count">3</Int>
         <DataValue>
           <Real Name="Value">2.000000</Real>
         </DataValue>
@@ -170,7 +170,7 @@
         <DataValue>
           <Real Name="Value">1.000000</Real>
         </DataValue>
-      </Sequence>
+      </DataValues>
     </DataFrame>
   </AnalysisData>
 </ReferenceData>

diff --git a/src/gromacs/analysisdata/tests/refdata/BinAverageModuleTest_ComputesCorrectlyWithAll.xml b/src/gromacs/analysisdata/tests/refdata/BinAverageModuleTest_ComputesCorrectlyWithAll.xml
index ea5f17ececc5ba3b0ef6718979373698b10d44bf..dd97dc7bcb23c411e5dcd8f40fcfe4e002db8f37 100644 (file)
--- a/src/gromacs/analysisdata/tests/refdata/BinAverageModuleTest_ComputesCorrectlyWithAll.xml
+++ b/src/gromacs/analysisdata/tests/refdata/BinAverageModuleTest_ComputesCorrectlyWithAll.xml
@@ -4,8 +4,8 @@
   <AnalysisData Name="InputData">
     <DataFrame Name="Frame0">
       <Real Name="X">1.000000</Real>
-      <Sequence Name="Y">
-        <Int Name="Length">2</Int>
+      <DataValues>
+        <Int Name="Count">2</Int>
         <DataValue>
           <Real Name="Value">0.700000</Real>
           <Real Name="Error">0.000000</Real>
@@ -14,9 +14,9 @@
           <Real Name="Value">0.500000</Real>
           <Real Name="Error">0.000000</Real>
         </DataValue>
-      </Sequence>
-      <Sequence Name="Y">
-        <Int Name="Length">2</Int>
+      </DataValues>
+      <DataValues>
+        <Int Name="Count">2</Int>
         <DataValue>
           <Real Name="Value">1.100000</Real>
           <Real Name="Error">0.000000</Real>
@@ -25,9 +25,9 @@
           <Real Name="Value">1.000000</Real>
           <Real Name="Error">0.000000</Real>
         </DataValue>
-      </Sequence>
-      <Sequence Name="Y">
-        <Int Name="Length">2</Int>
+      </DataValues>
+      <DataValues>
+        <Int Name="Count">2</Int>
         <DataValue>
           <Real Name="Value">2.300000</Real>
           <Real Name="Error">0.000000</Real>
@@ -36,9 +36,9 @@
           <Real Name="Value">1.000000</Real>
           <Real Name="Error">0.000000</Real>
         </DataValue>
-      </Sequence>
-      <Sequence Name="Y">
-        <Int Name="Length">2</Int>
+      </DataValues>
+      <DataValues>
+        <Int Name="Count">2</Int>
         <DataValue>
           <Real Name="Value">2.900000</Real>
           <Real Name="Error">0.000000</Real>
@@ -47,12 +47,12 @@
           <Real Name="Value">2.000000</Real>
           <Real Name="Error">0.000000</Real>
         </DataValue>
-      </Sequence>
+      </DataValues>
     </DataFrame>
     <DataFrame Name="Frame1">
       <Real Name="X">2.000000</Real>
-      <Sequence Name="Y">
-        <Int Name="Length">2</Int>
+      <DataValues>
+        <Int Name="Count">2</Int>
         <DataValue>
           <Real Name="Value">1.300000</Real>
           <Real Name="Error">0.000000</Real>
@@ -61,9 +61,9 @@
           <Real Name="Value">1.000000</Real>
           <Real Name="Error">0.000000</Real>
         </DataValue>
-      </Sequence>
-      <Sequence Name="Y">
-        <Int Name="Length">2</Int>
+      </DataValues>
+      <DataValues>
+        <Int Name="Count">2</Int>
         <DataValue>
           <Real Name="Value">2.200000</Real>
           <Real Name="Error">0.000000</Real>
@@ -72,12 +72,12 @@
           <Real Name="Value">3.000000</Real>
           <Real Name="Error">0.000000</Real>
         </DataValue>
-      </Sequence>
+      </DataValues>
     </DataFrame>
     <DataFrame Name="Frame2">
       <Real Name="X">3.000000</Real>
-      <Sequence Name="Y">
-        <Int Name="Length">2</Int>
+      <DataValues>
+        <Int Name="Count">2</Int>
         <DataValue>
           <Real Name="Value">3.300000</Real>
           <Real Name="Error">0.000000</Real>
@@ -86,9 +86,9 @@
           <Real Name="Value">0.500000</Real>
           <Real Name="Error">0.000000</Real>
         </DataValue>
-      </Sequence>
-      <Sequence Name="Y">
-        <Int Name="Length">2</Int>
+      </DataValues>
+      <DataValues>
+        <Int Name="Count">2</Int>
         <DataValue>
           <Real Name="Value">1.200000</Real>
           <Real Name="Error">0.000000</Real>
@@ -97,9 +97,9 @@
           <Real Name="Value">2.000000</Real>
           <Real Name="Error">0.000000</Real>
         </DataValue>
-      </Sequence>
-      <Sequence Name="Y">
-        <Int Name="Length">2</Int>
+      </DataValues>
+      <DataValues>
+        <Int Name="Count">2</Int>
         <DataValue>
           <Real Name="Value">1.300000</Real>
           <Real Name="Error">0.000000</Real>
@@ -108,14 +108,14 @@
           <Real Name="Value">1.000000</Real>
           <Real Name="Error">0.000000</Real>
         </DataValue>
-      </Sequence>
+      </DataValues>
     </DataFrame>
   </AnalysisData>
   <AnalysisData Name="HistogramAverage">
     <DataFrame Name="Frame0">
       <Real Name="X">1.250000</Real>
-      <Sequence Name="Y">
-        <Int Name="Length">3</Int>
+      <DataValues>
+        <Int Name="Count">3</Int>
         <DataValue>
           <Real Name="Value">1.100000</Real>
         </DataValue>
@@ -125,12 +125,12 @@
         <DataValue>
           <Real Name="Value">5.000000</Real>
         </DataValue>
-      </Sequence>
+      </DataValues>
     </DataFrame>
     <DataFrame Name="Frame1">
       <Real Name="X">1.750000</Real>
-      <Sequence Name="Y">
-        <Int Name="Length">3</Int>
+      <DataValues>
+        <Int Name="Count">3</Int>
         <DataValue>
           <Real Name="Value">0.000000</Real>
         </DataValue>
@@ -140,12 +140,12 @@
         <DataValue>
           <Real Name="Value">0.000000</Real>
         </DataValue>
-      </Sequence>
+      </DataValues>
     </DataFrame>
     <DataFrame Name="Frame2">
       <Real Name="X">2.250000</Real>
-      <Sequence Name="Y">
-        <Int Name="Length">3</Int>
+      <DataValues>
+        <Int Name="Count">3</Int>
         <DataValue>
           <Real Name="Value">2.000000</Real>
         </DataValue>
@@ -155,12 +155,12 @@
         <DataValue>
           <Real Name="Value">2.000000</Real>
         </DataValue>
-      </Sequence>
+      </DataValues>
     </DataFrame>
     <DataFrame Name="Frame3">
       <Real Name="X">2.750000</Real>
-      <Sequence Name="Y">
-        <Int Name="Length">3</Int>
+      <DataValues>
+        <Int Name="Count">3</Int>
         <DataValue>
           <Real Name="Value">1.250000</Real>
         </DataValue>
@@ -170,7 +170,7 @@
         <DataValue>
           <Real Name="Value">2.000000</Real>
         </DataValue>
-      </Sequence>
+      </DataValues>
     </DataFrame>
   </AnalysisData>
 </ReferenceData>

diff --git a/src/gromacs/analysisdata/tests/refdata/FrameAverageModuleTest_BasicTest.xml b/src/gromacs/analysisdata/tests/refdata/FrameAverageModuleTest_BasicTest.xml
index 359d0123ef03d0fc9650d1000c187d5fd2ce742c..dea4a9f8e591371d3d82c2fc4ea5e0f80a8004cd 100644 (file)
--- a/src/gromacs/analysisdata/tests/refdata/FrameAverageModuleTest_BasicTest.xml
+++ b/src/gromacs/analysisdata/tests/refdata/FrameAverageModuleTest_BasicTest.xml
@@ -4,8 +4,8 @@
   <AnalysisData Name="InputData">
     <DataFrame Name="Frame0">
       <Real Name="X">1.000000</Real>
-      <Sequence Name="Y">
-        <Int Name="Length">3</Int>
+      <DataValues>
+        <Int Name="Count">3</Int>
         <DataValue>
           <Real Name="Value">0.000000</Real>
           <Real Name="Error">0.000000</Real>
@@ -18,12 +18,12 @@
           <Real Name="Value">2.000000</Real>
           <Real Name="Error">0.000000</Real>
         </DataValue>
-      </Sequence>
+      </DataValues>
     </DataFrame>
     <DataFrame Name="Frame1">
       <Real Name="X">2.000000</Real>
-      <Sequence Name="Y">
-        <Int Name="Length">3</Int>
+      <DataValues>
+        <Int Name="Count">3</Int>
         <DataValue>
           <Real Name="Value">1.000000</Real>
           <Real Name="Error">0.000000</Real>
@@ -36,12 +36,12 @@
           <Real Name="Value">1.000000</Real>
           <Real Name="Error">0.000000</Real>
         </DataValue>
-      </Sequence>
+      </DataValues>
     </DataFrame>
     <DataFrame Name="Frame2">
       <Real Name="X">3.000000</Real>
-      <Sequence Name="Y">
-        <Int Name="Length">3</Int>
+      <DataValues>
+        <Int Name="Count">3</Int>
         <DataValue>
           <Real Name="Value">2.000000</Real>
           <Real Name="Error">0.000000</Real>
@@ -54,36 +54,36 @@
           <Real Name="Value">0.000000</Real>
           <Real Name="Error">0.000000</Real>
         </DataValue>
-      </Sequence>
+      </DataValues>
     </DataFrame>
   </AnalysisData>
   <AnalysisData Name="FrameAverage">
     <DataFrame Name="Frame0">
       <Real Name="X">1.000000</Real>
-      <Sequence Name="Y">
-        <Int Name="Length">1</Int>
+      <DataValues>
+        <Int Name="Count">1</Int>
         <DataValue>
           <Real Name="Value">1.000000</Real>
         </DataValue>
-      </Sequence>
+      </DataValues>
     </DataFrame>
     <DataFrame Name="Frame1">
       <Real Name="X">2.000000</Real>
-      <Sequence Name="Y">
-        <Int Name="Length">1</Int>
+      <DataValues>
+        <Int Name="Count">1</Int>
         <DataValue>
           <Real Name="Value">1.000000</Real>
         </DataValue>
-      </Sequence>
+      </DataValues>
     </DataFrame>
     <DataFrame Name="Frame2">
       <Real Name="X">3.000000</Real>
-      <Sequence Name="Y">
-        <Int Name="Length">1</Int>
+      <DataValues>
+        <Int Name="Count">1</Int>
         <DataValue>
           <Real Name="Value">0.666667</Real>
         </DataValue>
-      </Sequence>
+      </DataValues>
     </DataFrame>
   </AnalysisData>
 </ReferenceData>

diff --git a/src/gromacs/analysisdata/tests/refdata/SimpleHistogramModuleTest_ComputesCorrectly.xml b/src/gromacs/analysisdata/tests/refdata/SimpleHistogramModuleTest_ComputesCorrectly.xml
index ceb629e9a94cf32a5f9d67951ee6b21d366c26bd..15c02759741d105aff654d5e842e871c62e07664 100644 (file)
--- a/src/gromacs/analysisdata/tests/refdata/SimpleHistogramModuleTest_ComputesCorrectly.xml
+++ b/src/gromacs/analysisdata/tests/refdata/SimpleHistogramModuleTest_ComputesCorrectly.xml
@@ -4,82 +4,82 @@
   <AnalysisData Name="InputData">
     <DataFrame Name="Frame0">
       <Real Name="X">1.000000</Real>
-      <Sequence Name="Y">
-        <Int Name="Length">1</Int>
+      <DataValues>
+        <Int Name="Count">1</Int>
         <DataValue>
           <Real Name="Value">0.700000</Real>
           <Real Name="Error">0.000000</Real>
         </DataValue>
-      </Sequence>
-      <Sequence Name="Y">
-        <Int Name="Length">1</Int>
+      </DataValues>
+      <DataValues>
+        <Int Name="Count">1</Int>
         <DataValue>
           <Real Name="Value">1.100000</Real>
           <Real Name="Error">0.000000</Real>
         </DataValue>
-      </Sequence>
-      <Sequence Name="Y">
-        <Int Name="Length">1</Int>
+      </DataValues>
+      <DataValues>
+        <Int Name="Count">1</Int>
         <DataValue>
           <Real Name="Value">2.300000</Real>
           <Real Name="Error">0.000000</Real>
         </DataValue>
-      </Sequence>
-      <Sequence Name="Y">
-        <Int Name="Length">1</Int>
+      </DataValues>
+      <DataValues>
+        <Int Name="Count">1</Int>
         <DataValue>
           <Real Name="Value">2.900000</Real>
           <Real Name="Error">0.000000</Real>
         </DataValue>
-      </Sequence>
+      </DataValues>
     </DataFrame>
     <DataFrame Name="Frame1">
       <Real Name="X">2.000000</Real>
-      <Sequence Name="Y">
-        <Int Name="Length">1</Int>
+      <DataValues>
+        <Int Name="Count">1</Int>
         <DataValue>
           <Real Name="Value">1.300000</Real>
           <Real Name="Error">0.000000</Real>
         </DataValue>
-      </Sequence>
-      <Sequence Name="Y">
-        <Int Name="Length">1</Int>
+      </DataValues>
+      <DataValues>
+        <Int Name="Count">1</Int>
         <DataValue>
           <Real Name="Value">2.200000</Real>
           <Real Name="Error">0.000000</Real>
         </DataValue>
-      </Sequence>
+      </DataValues>
     </DataFrame>
     <DataFrame Name="Frame2">
       <Real Name="X">3.000000</Real>
-      <Sequence Name="Y">
-        <Int Name="Length">1</Int>
+      <DataValues>
+        <Int Name="Count">1</Int>
         <DataValue>
           <Real Name="Value">3.300000</Real>
           <Real Name="Error">0.000000</Real>
         </DataValue>
-      </Sequence>
-      <Sequence Name="Y">
-        <Int Name="Length">1</Int>
+      </DataValues>
+      <DataValues>
+        <Int Name="Count">1</Int>
         <DataValue>
           <Real Name="Value">1.200000</Real>
           <Real Name="Error">0.000000</Real>
         </DataValue>
-      </Sequence>
-      <Sequence Name="Y">
-        <Int Name="Length">1</Int>
+      </DataValues>
+      <DataValues>
+        <Int Name="Count">1</Int>
         <DataValue>
           <Real Name="Value">1.300000</Real>
           <Real Name="Error">0.000000</Real>
         </DataValue>
-      </Sequence>
+      </DataValues>
     </DataFrame>
   </AnalysisData>
   <AnalysisData Name="Histogram">
     <DataFrame Name="Frame0">
       <Real Name="X">1.000000</Real>
-      <Sequence Name="Y">
-        <Int Name="Length">4</Int>
+      <DataValues>
+        <Int Name="Count">4</Int>
         <DataValue>
           <Real Name="Value">1.000000</Real>
         </DataValue>
@@ -92,12 +92,12 @@
         <DataValue>
           <Real Name="Value">1.000000</Real>
         </DataValue>
-      </Sequence>
+      </DataValues>
     </DataFrame>
     <DataFrame Name="Frame1">
       <Real Name="X">2.000000</Real>
-      <Sequence Name="Y">
-        <Int Name="Length">4</Int>
+      <DataValues>
+        <Int Name="Count">4</Int>
         <DataValue>
           <Real Name="Value">1.000000</Real>
         </DataValue>
@@ -110,12 +110,12 @@
         <DataValue>
           <Real Name="Value">0.000000</Real>
         </DataValue>
-      </Sequence>
+      </DataValues>
     </DataFrame>
     <DataFrame Name="Frame2">
       <Real Name="X">3.000000</Real>
-      <Sequence Name="Y">
-        <Int Name="Length">4</Int>
+      <DataValues>
+        <Int Name="Count">4</Int>
         <DataValue>
           <Real Name="Value">2.000000</Real>
         </DataValue>
@@ -128,57 +128,57 @@
         <DataValue>
           <Real Name="Value">0.000000</Real>
         </DataValue>
-      </Sequence>
+      </DataValues>
     </DataFrame>
   </AnalysisData>
   <AnalysisData Name="HistogramAverage">
     <DataFrame Name="Frame0">
       <Real Name="X">1.250000</Real>
-      <Sequence Name="Y">
-        <Int Name="Length">2</Int>
+      <DataValues>
+        <Int Name="Count">2</Int>
         <DataValue>
           <Real Name="Value">1.333333</Real>
         </DataValue>
         <DataValue>
           <Real Name="Value">0.577350</Real>
         </DataValue>
-      </Sequence>
+      </DataValues>
     </DataFrame>
     <DataFrame Name="Frame1">
       <Real Name="X">1.750000</Real>
-      <Sequence Name="Y">
-        <Int Name="Length">2</Int>
+      <DataValues>
+        <Int Name="Count">2</Int>
         <DataValue>
           <Real Name="Value">0.000000</Real>
         </DataValue>
         <DataValue>
           <Real Name="Value">0.000000</Real>
         </DataValue>
-      </Sequence>
+      </DataValues>
     </DataFrame>
     <DataFrame Name="Frame2">
       <Real Name="X">2.250000</Real>
-      <Sequence Name="Y">
-        <Int Name="Length">2</Int>
+      <DataValues>
+        <Int Name="Count">2</Int>
         <DataValue>
           <Real Name="Value">0.666667</Real>
         </DataValue>
         <DataValue>
           <Real Name="Value">0.577350</Real>
         </DataValue>
-      </Sequence>
+      </DataValues>
     </DataFrame>
     <DataFrame Name="Frame3">
       <Real Name="X">2.750000</Real>
-      <Sequence Name="Y">
-        <Int Name="Length">2</Int>
+      <DataValues>
+        <Int Name="Count">2</Int>
         <DataValue>
           <Real Name="Value">0.333333</Real>
         </DataValue>
         <DataValue>
           <Real Name="Value">0.577350</Real>
         </DataValue>
-      </Sequence>
+      </DataValues>
     </DataFrame>
   </AnalysisData>
 </ReferenceData>

diff --git a/src/gromacs/analysisdata/tests/refdata/SimpleHistogramModuleTest_ComputesCorrectlyWithAll.xml b/src/gromacs/analysisdata/tests/refdata/SimpleHistogramModuleTest_ComputesCorrectlyWithAll.xml
index 4a5ea3e3b10b593dbeb64ae23a2b34b6cd825400..5c8f6038167e5fdeda76c993a0c644541be1ee75 100644 (file)
--- a/src/gromacs/analysisdata/tests/refdata/SimpleHistogramModuleTest_ComputesCorrectlyWithAll.xml
+++ b/src/gromacs/analysisdata/tests/refdata/SimpleHistogramModuleTest_ComputesCorrectlyWithAll.xml
@@ -4,82 +4,82 @@
   <AnalysisData Name="InputData">
     <DataFrame Name="Frame0">
       <Real Name="X">1.000000</Real>
-      <Sequence Name="Y">
-        <Int Name="Length">1</Int>
+      <DataValues>
+        <Int Name="Count">1</Int>
         <DataValue>
           <Real Name="Value">0.700000</Real>
           <Real Name="Error">0.000000</Real>
         </DataValue>
-      </Sequence>
-      <Sequence Name="Y">
-        <Int Name="Length">1</Int>
+      </DataValues>
+      <DataValues>
+        <Int Name="Count">1</Int>
         <DataValue>
           <Real Name="Value">1.100000</Real>
           <Real Name="Error">0.000000</Real>
         </DataValue>
-      </Sequence>
-      <Sequence Name="Y">
-        <Int Name="Length">1</Int>
+      </DataValues>
+      <DataValues>
+        <Int Name="Count">1</Int>
         <DataValue>
           <Real Name="Value">2.300000</Real>
           <Real Name="Error">0.000000</Real>
         </DataValue>
-      </Sequence>
-      <Sequence Name="Y">
-        <Int Name="Length">1</Int>
+      </DataValues>
+      <DataValues>
+        <Int Name="Count">1</Int>
         <DataValue>
           <Real Name="Value">2.900000</Real>
           <Real Name="Error">0.000000</Real>
         </DataValue>
-      </Sequence>
+      </DataValues>
     </DataFrame>
     <DataFrame Name="Frame1">
       <Real Name="X">2.000000</Real>
-      <Sequence Name="Y">
-        <Int Name="Length">1</Int>
+      <DataValues>
+        <Int Name="Count">1</Int>
         <DataValue>
           <Real Name="Value">1.300000</Real>
           <Real Name="Error">0.000000</Real>
         </DataValue>
-      </Sequence>
-      <Sequence Name="Y">
-        <Int Name="Length">1</Int>
+      </DataValues>
+      <DataValues>
+        <Int Name="Count">1</Int>
         <DataValue>
           <Real Name="Value">2.200000</Real>
           <Real Name="Error">0.000000</Real>
         </DataValue>
-      </Sequence>
+      </DataValues>
     </DataFrame>
     <DataFrame Name="Frame2">
       <Real Name="X">3.000000</Real>
-      <Sequence Name="Y">
-        <Int Name="Length">1</Int>
+      <DataValues>
+        <Int Name="Count">1</Int>
         <DataValue>
           <Real Name="Value">3.300000</Real>
           <Real Name="Error">0.000000</Real>
         </DataValue>
-      </Sequence>
-      <Sequence Name="Y">
-        <Int Name="Length">1</Int>
+      </DataValues>
+      <DataValues>
+        <Int Name="Count">1</Int>
         <DataValue>
           <Real Name="Value">1.200000</Real>
           <Real Name="Error">0.000000</Real>
         </DataValue>
-      </Sequence>
-      <Sequence Name="Y">
-        <Int Name="Length">1</Int>
+      </DataValues>
+      <DataValues>
+        <Int Name="Count">1</Int>
         <DataValue>
           <Real Name="Value">1.300000</Real>
           <Real Name="Error">0.000000</Real>
         </DataValue>
-      </Sequence>
+      </DataValues>
     </DataFrame>
   </AnalysisData>
   <AnalysisData Name="Histogram">
     <DataFrame Name="Frame0">
       <Real Name="X">1.000000</Real>
-      <Sequence Name="Y">
-        <Int Name="Length">4</Int>
+      <DataValues>
+        <Int Name="Count">4</Int>
         <DataValue>
           <Real Name="Value">2.000000</Real>
         </DataValue>
@@ -92,12 +92,12 @@
         <DataValue>
           <Real Name="Value">1.000000</Real>
         </DataValue>
-      </Sequence>
+      </DataValues>
     </DataFrame>
     <DataFrame Name="Frame1">
       <Real Name="X">2.000000</Real>
-      <Sequence Name="Y">
-        <Int Name="Length">4</Int>
+      <DataValues>
+        <Int Name="Count">4</Int>
         <DataValue>
           <Real Name="Value">1.000000</Real>
         </DataValue>
@@ -110,12 +110,12 @@
         <DataValue>
           <Real Name="Value">0.000000</Real>
         </DataValue>
-      </Sequence>
+      </DataValues>
     </DataFrame>
     <DataFrame Name="Frame2">
       <Real Name="X">3.000000</Real>
-      <Sequence Name="Y">
-        <Int Name="Length">4</Int>
+      <DataValues>
+        <Int Name="Count">4</Int>
         <DataValue>
           <Real Name="Value">2.000000</Real>
         </DataValue>
@@ -128,57 +128,57 @@
         <DataValue>
           <Real Name="Value">1.000000</Real>
         </DataValue>
-      </Sequence>
+      </DataValues>
     </DataFrame>
   </AnalysisData>
   <AnalysisData Name="HistogramAverage">
     <DataFrame Name="Frame0">
       <Real Name="X">1.250000</Real>
-      <Sequence Name="Y">
-        <Int Name="Length">2</Int>
+      <DataValues>
+        <Int Name="Count">2</Int>
         <DataValue>
           <Real Name="Value">1.666667</Real>
         </DataValue>
         <DataValue>
           <Real Name="Value">0.577350</Real>
         </DataValue>
-      </Sequence>
+      </DataValues>
     </DataFrame>
     <DataFrame Name="Frame1">
       <Real Name="X">1.750000</Real>
-      <Sequence Name="Y">
-        <Int Name="Length">2</Int>
+      <DataValues>
+        <Int Name="Count">2</Int>
         <DataValue>
           <Real Name="Value">0.000000</Real>
         </DataValue>
         <DataValue>
           <Real Name="Value">0.000000</Real>
         </DataValue>
-      </Sequence>
+      </DataValues>
     </DataFrame>
     <DataFrame Name="Frame2">
       <Real Name="X">2.250000</Real>
-      <Sequence Name="Y">
-        <Int Name="Length">2</Int>
+      <DataValues>
+        <Int Name="Count">2</Int>
         <DataValue>
           <Real Name="Value">0.666667</Real>
         </DataValue>
         <DataValue>
           <Real Name="Value">0.577350</Real>
         </DataValue>
-      </Sequence>
+      </DataValues>
     </DataFrame>
     <DataFrame Name="Frame3">
       <Real Name="X">2.750000</Real>
-      <Sequence Name="Y">
-        <Int Name="Length">2</Int>
+      <DataValues>
+        <Int Name="Count">2</Int>
         <DataValue>
           <Real Name="Value">0.666667</Real>
         </DataValue>
         <DataValue>
           <Real Name="Value">0.577350</Real>
         </DataValue>
-      </Sequence>
+      </DataValues>
     </DataFrame>
   </AnalysisData>
 </ReferenceData>

diff --git a/src/gromacs/analysisdata/tests/refdata/WeightedHistogramModuleTest_ComputesCorrectly.xml b/src/gromacs/analysisdata/tests/refdata/WeightedHistogramModuleTest_ComputesCorrectly.xml
index a1280fe99b741be52e66dd992e12f5e88de16205..95af2f52ebc0a3f18e9611fc1cfa03f3b8a6415e 100644 (file)
--- a/src/gromacs/analysisdata/tests/refdata/WeightedHistogramModuleTest_ComputesCorrectly.xml
+++ b/src/gromacs/analysisdata/tests/refdata/WeightedHistogramModuleTest_ComputesCorrectly.xml
@@ -4,8 +4,8 @@
   <AnalysisData Name="InputData">
     <DataFrame Name="Frame0">
       <Real Name="X">1.000000</Real>
-      <Sequence Name="Y">
-        <Int Name="Length">2</Int>
+      <DataValues>
+        <Int Name="Count">2</Int>
         <DataValue>
           <Real Name="Value">0.700000</Real>
           <Real Name="Error">0.000000</Real>
@@ -14,9 +14,9 @@
           <Real Name="Value">0.500000</Real>
           <Real Name="Error">0.000000</Real>
         </DataValue>
-      </Sequence>
-      <Sequence Name="Y">
-        <Int Name="Length">2</Int>
+      </DataValues>
+      <DataValues>
+        <Int Name="Count">2</Int>
         <DataValue>
           <Real Name="Value">1.100000</Real>
           <Real Name="Error">0.000000</Real>
@@ -25,9 +25,9 @@
           <Real Name="Value">1.000000</Real>
           <Real Name="Error">0.000000</Real>
         </DataValue>
-      </Sequence>
-      <Sequence Name="Y">
-        <Int Name="Length">2</Int>
+      </DataValues>
+      <DataValues>
+        <Int Name="Count">2</Int>
         <DataValue>
           <Real Name="Value">2.300000</Real>
           <Real Name="Error">0.000000</Real>
@@ -36,9 +36,9 @@
           <Real Name="Value">1.000000</Real>
           <Real Name="Error">0.000000</Real>
         </DataValue>
-      </Sequence>
-      <Sequence Name="Y">
-        <Int Name="Length">2</Int>
+      </DataValues>
+      <DataValues>
+        <Int Name="Count">2</Int>
         <DataValue>
           <Real Name="Value">2.900000</Real>
           <Real Name="Error">0.000000</Real>
@@ -47,12 +47,12 @@
           <Real Name="Value">2.000000</Real>
           <Real Name="Error">0.000000</Real>
         </DataValue>
-      </Sequence>
+      </DataValues>
     </DataFrame>
     <DataFrame Name="Frame1">
       <Real Name="X">2.000000</Real>
-      <Sequence Name="Y">
-        <Int Name="Length">2</Int>
+      <DataValues>
+        <Int Name="Count">2</Int>
         <DataValue>
           <Real Name="Value">1.300000</Real>
           <Real Name="Error">0.000000</Real>
@@ -61,9 +61,9 @@
           <Real Name="Value">1.000000</Real>
           <Real Name="Error">0.000000</Real>
         </DataValue>
-      </Sequence>
-      <Sequence Name="Y">
-        <Int Name="Length">2</Int>
+      </DataValues>
+      <DataValues>
+        <Int Name="Count">2</Int>
         <DataValue>
           <Real Name="Value">2.200000</Real>
           <Real Name="Error">0.000000</Real>
@@ -72,12 +72,12 @@
           <Real Name="Value">3.000000</Real>
           <Real Name="Error">0.000000</Real>
         </DataValue>
-      </Sequence>
+      </DataValues>
     </DataFrame>
     <DataFrame Name="Frame2">
       <Real Name="X">3.000000</Real>
-      <Sequence Name="Y">
-        <Int Name="Length">2</Int>
+      <DataValues>
+        <Int Name="Count">2</Int>
         <DataValue>
           <Real Name="Value">3.300000</Real>
           <Real Name="Error">0.000000</Real>
@@ -86,9 +86,9 @@
           <Real Name="Value">0.500000</Real>
           <Real Name="Error">0.000000</Real>
         </DataValue>
-      </Sequence>
-      <Sequence Name="Y">
-        <Int Name="Length">2</Int>
+      </DataValues>
+      <DataValues>
+        <Int Name="Count">2</Int>
         <DataValue>
           <Real Name="Value">1.200000</Real>
           <Real Name="Error">0.000000</Real>
@@ -97,9 +97,9 @@
           <Real Name="Value">2.000000</Real>
           <Real Name="Error">0.000000</Real>
         </DataValue>
-      </Sequence>
-      <Sequence Name="Y">
-        <Int Name="Length">2</Int>
+      </DataValues>
+      <DataValues>
+        <Int Name="Count">2</Int>
         <DataValue>
           <Real Name="Value">1.300000</Real>
           <Real Name="Error">0.000000</Real>
@@ -108,14 +108,14 @@
           <Real Name="Value">1.000000</Real>
           <Real Name="Error">0.000000</Real>
         </DataValue>
-      </Sequence>
+      </DataValues>
     </DataFrame>
   </AnalysisData>
   <AnalysisData Name="Histogram">
     <DataFrame Name="Frame0">
       <Real Name="X">1.000000</Real>
-      <Sequence Name="Y">
-        <Int Name="Length">4</Int>
+      <DataValues>
+        <Int Name="Count">4</Int>
         <DataValue>
           <Real Name="Value">1.000000</Real>
         </DataValue>
@@ -128,12 +128,12 @@
         <DataValue>
           <Real Name="Value">2.000000</Real>
         </DataValue>
-      </Sequence>
+      </DataValues>
     </DataFrame>
     <DataFrame Name="Frame1">
       <Real Name="X">2.000000</Real>
-      <Sequence Name="Y">
-        <Int Name="Length">4</Int>
+      <DataValues>
+        <Int Name="Count">4</Int>
         <DataValue>
           <Real Name="Value">1.000000</Real>
         </DataValue>
@@ -146,12 +146,12 @@
         <DataValue>
           <Real Name="Value">0.000000</Real>
         </DataValue>
-      </Sequence>
+      </DataValues>
     </DataFrame>
     <DataFrame Name="Frame2">
       <Real Name="X">3.000000</Real>
-      <Sequence Name="Y">
-        <Int Name="Length">4</Int>
+      <DataValues>
+        <Int Name="Count">4</Int>
         <DataValue>
           <Real Name="Value">3.000000</Real>
         </DataValue>
@@ -164,57 +164,57 @@
         <DataValue>
           <Real Name="Value">0.000000</Real>
         </DataValue>
-      </Sequence>
+      </DataValues>
     </DataFrame>
   </AnalysisData>
   <AnalysisData Name="HistogramAverage">
     <DataFrame Name="Frame0">
       <Real Name="X">1.250000</Real>
-      <Sequence Name="Y">
-        <Int Name="Length">2</Int>
+      <DataValues>
+        <Int Name="Count">2</Int>
         <DataValue>
           <Real Name="Value">1.666667</Real>
         </DataValue>
         <DataValue>
           <Real Name="Value">1.154701</Real>
         </DataValue>
-      </Sequence>
+      </DataValues>
     </DataFrame>
     <DataFrame Name="Frame1">
       <Real Name="X">1.750000</Real>
-      <Sequence Name="Y">
-        <Int Name="Length">2</Int>
+      <DataValues>
+        <Int Name="Count">2</Int>
         <DataValue>
           <Real Name="Value">0.000000</Real>
         </DataValue>
         <DataValue>
           <Real Name="Value">0.000000</Real>
         </DataValue>
-      </Sequence>
+      </DataValues>
     </DataFrame>
     <DataFrame Name="Frame2">
       <Real Name="X">2.250000</Real>
-      <Sequence Name="Y">
-        <Int Name="Length">2</Int>
+      <DataValues>
+        <Int Name="Count">2</Int>
         <DataValue>
           <Real Name="Value">1.333333</Real>
         </DataValue>
         <DataValue>
           <Real Name="Value">1.527525</Real>
         </DataValue>
-      </Sequence>
+      </DataValues>
     </DataFrame>
     <DataFrame Name="Frame3">
       <Real Name="X">2.750000</Real>
-      <Sequence Name="Y">
-        <Int Name="Length">2</Int>
+      <DataValues>
+        <Int Name="Count">2</Int>
         <DataValue>
           <Real Name="Value">0.666667</Real>
         </DataValue>
         <DataValue>
           <Real Name="Value">1.154701</Real>
         </DataValue>
-      </Sequence>
+      </DataValues>
     </DataFrame>
   </AnalysisData>
 </ReferenceData>

diff --git a/src/gromacs/analysisdata/tests/refdata/WeightedHistogramModuleTest_ComputesCorrectlyWithAll.xml b/src/gromacs/analysisdata/tests/refdata/WeightedHistogramModuleTest_ComputesCorrectlyWithAll.xml
index 4962d39f52984e6b593f5debd235f959ee670c11..48d48130c915292683a901d24975700833e599ba 100644 (file)
--- a/src/gromacs/analysisdata/tests/refdata/WeightedHistogramModuleTest_ComputesCorrectlyWithAll.xml
+++ b/src/gromacs/analysisdata/tests/refdata/WeightedHistogramModuleTest_ComputesCorrectlyWithAll.xml
@@ -4,8 +4,8 @@
   <AnalysisData Name="InputData">
     <DataFrame Name="Frame0">
       <Real Name="X">1.000000</Real>
-      <Sequence Name="Y">
-        <Int Name="Length">2</Int>
+      <DataValues>
+        <Int Name="Count">2</Int>
         <DataValue>
           <Real Name="Value">0.700000</Real>
           <Real Name="Error">0.000000</Real>
@@ -14,9 +14,9 @@
           <Real Name="Value">0.500000</Real>
           <Real Name="Error">0.000000</Real>
         </DataValue>
-      </Sequence>
-      <Sequence Name="Y">
-        <Int Name="Length">2</Int>
+      </DataValues>
+      <DataValues>
+        <Int Name="Count">2</Int>
         <DataValue>
           <Real Name="Value">1.100000</Real>
           <Real Name="Error">0.000000</Real>
@@ -25,9 +25,9 @@
           <Real Name="Value">1.000000</Real>
           <Real Name="Error">0.000000</Real>
         </DataValue>
-      </Sequence>
-      <Sequence Name="Y">
-        <Int Name="Length">2</Int>
+      </DataValues>
+      <DataValues>
+        <Int Name="Count">2</Int>
         <DataValue>
           <Real Name="Value">2.300000</Real>
           <Real Name="Error">0.000000</Real>
@@ -36,9 +36,9 @@
           <Real Name="Value">1.000000</Real>
           <Real Name="Error">0.000000</Real>
         </DataValue>
-      </Sequence>
-      <Sequence Name="Y">
-        <Int Name="Length">2</Int>
+      </DataValues>
+      <DataValues>
+        <Int Name="Count">2</Int>
         <DataValue>
           <Real Name="Value">2.900000</Real>
           <Real Name="Error">0.000000</Real>
@@ -47,12 +47,12 @@
           <Real Name="Value">2.000000</Real>
           <Real Name="Error">0.000000</Real>
         </DataValue>
-      </Sequence>
+      </DataValues>
     </DataFrame>
     <DataFrame Name="Frame1">
       <Real Name="X">2.000000</Real>
-      <Sequence Name="Y">
-        <Int Name="Length">2</Int>
+      <DataValues>
+        <Int Name="Count">2</Int>
         <DataValue>
           <Real Name="Value">1.300000</Real>
           <Real Name="Error">0.000000</Real>
@@ -61,9 +61,9 @@
           <Real Name="Value">1.000000</Real>
           <Real Name="Error">0.000000</Real>
         </DataValue>
-      </Sequence>
-      <Sequence Name="Y">
-        <Int Name="Length">2</Int>
+      </DataValues>
+      <DataValues>
+        <Int Name="Count">2</Int>
         <DataValue>
           <Real Name="Value">2.200000</Real>
           <Real Name="Error">0.000000</Real>
@@ -72,12 +72,12 @@
           <Real Name="Value">3.000000</Real>
           <Real Name="Error">0.000000</Real>
         </DataValue>
-      </Sequence>
+      </DataValues>
     </DataFrame>
     <DataFrame Name="Frame2">
       <Real Name="X">3.000000</Real>
-      <Sequence Name="Y">
-        <Int Name="Length">2</Int>
+      <DataValues>
+        <Int Name="Count">2</Int>
         <DataValue>
           <Real Name="Value">3.300000</Real>
           <Real Name="Error">0.000000</Real>
@@ -86,9 +86,9 @@
           <Real Name="Value">0.500000</Real>
           <Real Name="Error">0.000000</Real>
         </DataValue>
-      </Sequence>
-      <Sequence Name="Y">
-        <Int Name="Length">2</Int>
+      </DataValues>
+      <DataValues>
+        <Int Name="Count">2</Int>
         <DataValue>
           <Real Name="Value">1.200000</Real>
           <Real Name="Error">0.000000</Real>
@@ -97,9 +97,9 @@
           <Real Name="Value">2.000000</Real>
           <Real Name="Error">0.000000</Real>
         </DataValue>
-      </Sequence>
-      <Sequence Name="Y">
-        <Int Name="Length">2</Int>
+      </DataValues>
+      <DataValues>
+        <Int Name="Count">2</Int>
         <DataValue>
           <Real Name="Value">1.300000</Real>
           <Real Name="Error">0.000000</Real>
@@ -108,14 +108,14 @@
           <Real Name="Value">1.000000</Real>
           <Real Name="Error">0.000000</Real>
         </DataValue>
-      </Sequence>
+      </DataValues>
     </DataFrame>
   </AnalysisData>
   <AnalysisData Name="Histogram">
     <DataFrame Name="Frame0">
       <Real Name="X">1.000000</Real>
-      <Sequence Name="Y">
-        <Int Name="Length">4</Int>
+      <DataValues>
+        <Int Name="Count">4</Int>
         <DataValue>
           <Real Name="Value">1.500000</Real>
         </DataValue>
@@ -128,12 +128,12 @@
         <DataValue>
           <Real Name="Value">2.000000</Real>
         </DataValue>
-      </Sequence>
+      </DataValues>
     </DataFrame>
     <DataFrame Name="Frame1">
       <Real Name="X">2.000000</Real>
-      <Sequence Name="Y">
-        <Int Name="Length">4</Int>
+      <DataValues>
+        <Int Name="Count">4</Int>
         <DataValue>
           <Real Name="Value">1.000000</Real>
         </DataValue>
@@ -146,12 +146,12 @@
         <DataValue>
           <Real Name="Value">0.000000</Real>
         </DataValue>
-      </Sequence>
+      </DataValues>
     </DataFrame>
     <DataFrame Name="Frame2">
       <Real Name="X">3.000000</Real>
-      <Sequence Name="Y">
-        <Int Name="Length">4</Int>
+      <DataValues>
+        <Int Name="Count">4</Int>
         <DataValue>
           <Real Name="Value">3.000000</Real>
         </DataValue>
@@ -164,57 +164,57 @@
         <DataValue>
           <Real Name="Value">0.500000</Real>
         </DataValue>
-      </Sequence>
+      </DataValues>
     </DataFrame>
   </AnalysisData>
   <AnalysisData Name="HistogramAverage">
     <DataFrame Name="Frame0">
       <Real Name="X">1.250000</Real>
-      <Sequence Name="Y">
-        <Int Name="Length">2</Int>
+      <DataValues>
+        <Int Name="Count">2</Int>
         <DataValue>
           <Real Name="Value">1.833333</Real>
         </DataValue>
         <DataValue>
           <Real Name="Value">1.040833</Real>
         </DataValue>
-      </Sequence>
+      </DataValues>
     </DataFrame>
     <DataFrame Name="Frame1">
       <Real Name="X">1.750000</Real>
-      <Sequence Name="Y">
-        <Int Name="Length">2</Int>
+      <DataValues>
+        <Int Name="Count">2</Int>
         <DataValue>
           <Real Name="Value">0.000000</Real>
         </DataValue>
         <DataValue>
           <Real Name="Value">0.000000</Real>
         </DataValue>
-      </Sequence>
+      </DataValues>
     </DataFrame>
     <DataFrame Name="Frame2">
       <Real Name="X">2.250000</Real>
-      <Sequence Name="Y">
-        <Int Name="Length">2</Int>
+      <DataValues>
+        <Int Name="Count">2</Int>
         <DataValue>
           <Real Name="Value">1.333333</Real>
         </DataValue>
         <DataValue>
           <Real Name="Value">1.527525</Real>
         </DataValue>
-      </Sequence>
+      </DataValues>
     </DataFrame>
     <DataFrame Name="Frame3">
       <Real Name="X">2.750000</Real>
-      <Sequence Name="Y">
-        <Int Name="Length">2</Int>
+      <DataValues>
+        <Int Name="Count">2</Int>
         <DataValue>
           <Real Name="Value">0.833333</Real>
         </DataValue>
         <DataValue>
           <Real Name="Value">1.040833</Real>
         </DataValue>
-      </Sequence>
+      </DataValues>
     </DataFrame>
   </AnalysisData>
 </ReferenceData>

diff --git a/src/gromacs/analysisdata/tests/refdata/analysisdata-referencedata.xsl b/src/gromacs/analysisdata/tests/refdata/analysisdata-referencedata.xsl
index 099384f36dcf2dd21986f415edfb29cea1928da9..abad36c26ad0cb0afb66fb9e89ea03b97c6a1cc7 100644 (file)
--- a/src/gromacs/analysisdata/tests/refdata/analysisdata-referencedata.xsl
+++ b/src/gromacs/analysisdata/tests/refdata/analysisdata-referencedata.xsl
@@ -14,7 +14,7 @@ and use the copy_xsl.sh script to copy it to relevant locations.
 
 <xsl:template match="AnalysisData">
     <xsl:variable name="has-columnspec"
-                  select="DataFrame/Sequence[@Name='Y']/Int[@Name='FirstColumn']"/>
+                  select="DataFrame/DataValues/Int[@Name='FirstColumn']"/>
     <table border="1">
         <tr>
             <th>Frame</th>
@@ -24,7 +24,7 @@ and use the copy_xsl.sh script to copy it to relevant locations.
             </xsl:if>
             <th>Values</th>
         </tr>
-        <xsl:for-each select="DataFrame/Sequence[@Name='Y']">
+        <xsl:for-each select="DataFrame/DataValues">
         <tr>
             <td><xsl:value-of select="../@Name"/></td>
             <td><xsl:value-of select="../Real[@Name='X']"/></td>

diff --git a/src/gromacs/selection/tests/selectioncollection.cpp b/src/gromacs/selection/tests/selectioncollection.cpp
index 1038ce309711acf6d448b990d0d582ec0afe4973..73b83a646e0bde484f3ed1f8ea2fa194be5f290a 100644 (file)
--- a/src/gromacs/selection/tests/selectioncollection.cpp
+++ b/src/gromacs/selection/tests/selectioncollection.cpp
@@ -364,10 +364,7 @@ void
 SelectionCollectionDataTest::runEvaluateFinal()
 {
     ASSERT_NO_THROW_GMX(sc_.evaluateFinal(framenr_));
-    if (!checker_.isWriteMode())
-    {
-        checkCompiled();
-    }
+    checkCompiled();
 }
 
 

diff --git a/src/gromacs/trajectoryanalysis/tests/refdata/AngleModuleTest_ComputesDihedrals.xml b/src/gromacs/trajectoryanalysis/tests/refdata/AngleModuleTest_ComputesDihedrals.xml
index a14807f685a0fddbbd3e44ce8a1d0a4faf769df5..cead6c4759fe4da52a9b17980ea0ff165c82ddc9 100644 (file)
--- a/src/gromacs/trajectoryanalysis/tests/refdata/AngleModuleTest_ComputesDihedrals.xml
+++ b/src/gromacs/trajectoryanalysis/tests/refdata/AngleModuleTest_ComputesDihedrals.xml
@@ -6,8 +6,8 @@
     <AnalysisData Name="angle">
       <DataFrame Name="Frame0">
         <Real Name="X">0.000000</Real>
-        <Sequence Name="Y">
-          <Int Name="Length">3</Int>
+        <DataValues>
+          <Int Name="Count">3</Int>
           <DataValue>
             <Real Name="Value">-135.000000</Real>
           </DataValue>
@@ -17,56 +17,56 @@
           <DataValue>
             <Real Name="Value">180.000000</Real>
           </DataValue>
-        </Sequence>
+        </DataValues>
       </DataFrame>
     </AnalysisData>
     <AnalysisData Name="average">
       <DataFrame Name="Frame0">
         <Real Name="X">0.000000</Real>
-        <Sequence Name="Y">
-          <Int Name="Length">1</Int>
+        <DataValues>
+          <Int Name="Count">1</Int>
           <DataValue>
             <Real Name="Value">30.000000</Real>
           </DataValue>
-        </Sequence>
+        </DataValues>
       </DataFrame>
     </AnalysisData>
     <AnalysisData Name="histogram">
       <DataFrame Name="Frame0">
         <Real Name="X">-120.000000</Real>
-        <Sequence Name="Y">
-          <Int Name="Length">2</Int>
+        <DataValues>
+          <Int Name="Count">2</Int>
           <DataValue>
             <Real Name="Value">0.002778</Real>
           </DataValue>
           <DataValue>
             <Real Name="Value">0.000000</Real>
           </DataValue>
-        </Sequence>
+        </DataValues>
       </DataFrame>
       <DataFrame Name="Frame1">
         <Real Name="X">0.000000</Real>
-        <Sequence Name="Y">
-          <Int Name="Length">2</Int>
+        <DataValues>
+          <Int Name="Count">2</Int>
           <DataValue>
             <Real Name="Value">0.002778</Real>
           </DataValue>
           <DataValue>
             <Real Name="Value">0.000000</Real>
           </DataValue>
-        </Sequence>
+        </DataValues>
       </DataFrame>
       <DataFrame Name="Frame2">
         <Real Name="X">120.000000</Real>
-        <Sequence Name="Y">
-          <Int Name="Length">2</Int>
+        <DataValues>
+          <Int Name="Count">2</Int>
           <DataValue>
             <Real Name="Value">0.002778</Real>
           </DataValue>
           <DataValue>
             <Real Name="Value">0.000000</Real>
           </DataValue>
-        </Sequence>
+        </DataValues>
       </DataFrame>
     </AnalysisData>
   </OutputData>

diff --git a/src/gromacs/trajectoryanalysis/tests/refdata/AngleModuleTest_ComputesPlaneZAxisAngles.xml b/src/gromacs/trajectoryanalysis/tests/refdata/AngleModuleTest_ComputesPlaneZAxisAngles.xml
index b8ac353b4b1c693d2cb825b21fe28e6d5efbb68e..cdf24955d9daa491b3cef1ff762f34c0d7ad3532 100644 (file)
--- a/src/gromacs/trajectoryanalysis/tests/refdata/AngleModuleTest_ComputesPlaneZAxisAngles.xml
+++ b/src/gromacs/trajectoryanalysis/tests/refdata/AngleModuleTest_ComputesPlaneZAxisAngles.xml
@@ -6,64 +6,64 @@
     <AnalysisData Name="angle">
       <DataFrame Name="Frame0">
         <Real Name="X">0.000000</Real>
-        <Sequence Name="Y">
-          <Int Name="Length">2</Int>
+        <DataValues>
+          <Int Name="Count">2</Int>
           <DataValue>
             <Real Name="Value">180.000000</Real>
           </DataValue>
           <DataValue>
             <Real Name="Value">45.000000</Real>
           </DataValue>
-        </Sequence>
+        </DataValues>
       </DataFrame>
     </AnalysisData>
     <AnalysisData Name="average">
       <DataFrame Name="Frame0">
         <Real Name="X">0.000000</Real>
-        <Sequence Name="Y">
-          <Int Name="Length">1</Int>
+        <DataValues>
+          <Int Name="Count">1</Int>
           <DataValue>
             <Real Name="Value">112.500000</Real>
           </DataValue>
-        </Sequence>
+        </DataValues>
       </DataFrame>
     </AnalysisData>
     <AnalysisData Name="histogram">
       <DataFrame Name="Frame0">
         <Real Name="X">30.000000</Real>
-        <Sequence Name="Y">
-          <Int Name="Length">2</Int>
+        <DataValues>
+          <Int Name="Count">2</Int>
           <DataValue>
             <Real Name="Value">0.008333</Real>
           </DataValue>
           <DataValue>
             <Real Name="Value">0.000000</Real>
           </DataValue>
-        </Sequence>
+        </DataValues>
       </DataFrame>
       <DataFrame Name="Frame1">
         <Real Name="X">90.000000</Real>
-        <Sequence Name="Y">
-          <Int Name="Length">2</Int>
+        <DataValues>
+          <Int Name="Count">2</Int>
           <DataValue>
             <Real Name="Value">0.000000</Real>
           </DataValue>
           <DataValue>
             <Real Name="Value">0.000000</Real>
           </DataValue>
-        </Sequence>
+        </DataValues>
       </DataFrame>
       <DataFrame Name="Frame2">
         <Real Name="X">150.000000</Real>
-        <Sequence Name="Y">
-          <Int Name="Length">2</Int>
+        <DataValues>
+          <Int Name="Count">2</Int>
           <DataValue>
             <Real Name="Value">0.008333</Real>
           </DataValue>
           <DataValue>
             <Real Name="Value">0.000000</Real>
           </DataValue>
-        </Sequence>
+        </DataValues>
       </DataFrame>
     </AnalysisData>
   </OutputData>

diff --git a/src/gromacs/trajectoryanalysis/tests/refdata/AngleModuleTest_ComputesSimpleAngles.xml b/src/gromacs/trajectoryanalysis/tests/refdata/AngleModuleTest_ComputesSimpleAngles.xml
index edb5458fc90b255787940092d393eff83a6d2ca6..b995df6b81f9769db5e9e843cb90cccd3eb5be99 100644 (file)
--- a/src/gromacs/trajectoryanalysis/tests/refdata/AngleModuleTest_ComputesSimpleAngles.xml
+++ b/src/gromacs/trajectoryanalysis/tests/refdata/AngleModuleTest_ComputesSimpleAngles.xml
@@ -6,64 +6,64 @@
     <AnalysisData Name="angle">
       <DataFrame Name="Frame0">
         <Real Name="X">0.000000</Real>
-        <Sequence Name="Y">
-          <Int Name="Length">2</Int>
+        <DataValues>
+          <Int Name="Count">2</Int>
           <DataValue>
             <Real Name="Value">135.000000</Real>
           </DataValue>
           <DataValue>
             <Real Name="Value">45.000000</Real>
           </DataValue>
-        </Sequence>
+        </DataValues>
       </DataFrame>
     </AnalysisData>
     <AnalysisData Name="average">
       <DataFrame Name="Frame0">
         <Real Name="X">0.000000</Real>
-        <Sequence Name="Y">
-          <Int Name="Length">1</Int>
+        <DataValues>
+          <Int Name="Count">1</Int>
           <DataValue>
             <Real Name="Value">90.000000</Real>
           </DataValue>
-        </Sequence>
+        </DataValues>
       </DataFrame>
     </AnalysisData>
     <AnalysisData Name="histogram">
       <DataFrame Name="Frame0">
         <Real Name="X">30.000000</Real>
-        <Sequence Name="Y">
-          <Int Name="Length">2</Int>
+        <DataValues>
+          <Int Name="Count">2</Int>
           <DataValue>
             <Real Name="Value">0.008333</Real>
           </DataValue>
           <DataValue>
             <Real Name="Value">0.000000</Real>
           </DataValue>
-        </Sequence>
+        </DataValues>
       </DataFrame>
       <DataFrame Name="Frame1">
         <Real Name="X">90.000000</Real>
-        <Sequence Name="Y">
-          <Int Name="Length">2</Int>
+        <DataValues>
+          <Int Name="Count">2</Int>
           <DataValue>
             <Real Name="Value">0.000000</Real>
           </DataValue>
           <DataValue>
             <Real Name="Value">0.000000</Real>
           </DataValue>
-        </Sequence>
+        </DataValues>
       </DataFrame>
       <DataFrame Name="Frame2">
         <Real Name="X">150.000000</Real>
-        <Sequence Name="Y">
-          <Int Name="Length">2</Int>
+        <DataValues>
+          <Int Name="Count">2</Int>
           <DataValue>
             <Real Name="Value">0.008333</Real>
           </DataValue>
           <DataValue>
             <Real Name="Value">0.000000</Real>
           </DataValue>
-        </Sequence>
+        </DataValues>
       </DataFrame>
     </AnalysisData>
   </OutputData>

diff --git a/src/gromacs/trajectoryanalysis/tests/refdata/AngleModuleTest_ComputesVectorPairAngles.xml b/src/gromacs/trajectoryanalysis/tests/refdata/AngleModuleTest_ComputesVectorPairAngles.xml
index aa10e3d70cb22c21572b23054aac014784c0f4c8..1600814cb0affb0e790b2840c4e39668de8e13ba 100644 (file)
--- a/src/gromacs/trajectoryanalysis/tests/refdata/AngleModuleTest_ComputesVectorPairAngles.xml
+++ b/src/gromacs/trajectoryanalysis/tests/refdata/AngleModuleTest_ComputesVectorPairAngles.xml
@@ -6,64 +6,64 @@
     <AnalysisData Name="angle">
       <DataFrame Name="Frame0">
         <Real Name="X">0.000000</Real>
-        <Sequence Name="Y">
-          <Int Name="Length">2</Int>
+        <DataValues>
+          <Int Name="Count">2</Int>
           <DataValue>
             <Real Name="Value">45.000000</Real>
           </DataValue>
           <DataValue>
             <Real Name="Value">90.000000</Real>
           </DataValue>
-        </Sequence>
+        </DataValues>
       </DataFrame>
     </AnalysisData>
     <AnalysisData Name="average">
       <DataFrame Name="Frame0">
         <Real Name="X">0.000000</Real>
-        <Sequence Name="Y">
-          <Int Name="Length">1</Int>
+        <DataValues>
+          <Int Name="Count">1</Int>
           <DataValue>
             <Real Name="Value">67.500000</Real>
           </DataValue>
-        </Sequence>
+        </DataValues>
       </DataFrame>
     </AnalysisData>
     <AnalysisData Name="histogram">
       <DataFrame Name="Frame0">
         <Real Name="X">30.000000</Real>
-        <Sequence Name="Y">
-          <Int Name="Length">2</Int>
+        <DataValues>
+          <Int Name="Count">2</Int>
           <DataValue>
             <Real Name="Value">0.008333</Real>
           </DataValue>
           <DataValue>
             <Real Name="Value">0.000000</Real>
           </DataValue>
-        </Sequence>
+        </DataValues>
       </DataFrame>
       <DataFrame Name="Frame1">
         <Real Name="X">90.000000</Real>
-        <Sequence Name="Y">
-          <Int Name="Length">2</Int>
+        <DataValues>
+          <Int Name="Count">2</Int>
           <DataValue>
             <Real Name="Value">0.008333</Real>
           </DataValue>
           <DataValue>
             <Real Name="Value">0.000000</Real>
           </DataValue>
-        </Sequence>
+        </DataValues>
       </DataFrame>
       <DataFrame Name="Frame2">
         <Real Name="X">150.000000</Real>
-        <Sequence Name="Y">
-          <Int Name="Length">2</Int>
+        <DataValues>
+          <Int Name="Count">2</Int>
           <DataValue>
             <Real Name="Value">0.000000</Real>
           </DataValue>
           <DataValue>
             <Real Name="Value">0.000000</Real>
           </DataValue>
-        </Sequence>
+        </DataValues>
       </DataFrame>
     </AnalysisData>
   </OutputData>

diff --git a/src/gromacs/trajectoryanalysis/tests/refdata/AngleModuleTest_ComputesVectorPlanePairAngles.xml b/src/gromacs/trajectoryanalysis/tests/refdata/AngleModuleTest_ComputesVectorPlanePairAngles.xml
index 6e684aa8caa7b45d1b4e2aff1ed43e08cbe3301f..255d191b9243c1d266c31c6e2613876b5314af40 100644 (file)
--- a/src/gromacs/trajectoryanalysis/tests/refdata/AngleModuleTest_ComputesVectorPlanePairAngles.xml
+++ b/src/gromacs/trajectoryanalysis/tests/refdata/AngleModuleTest_ComputesVectorPlanePairAngles.xml
@@ -6,64 +6,64 @@
     <AnalysisData Name="angle">
       <DataFrame Name="Frame0">
         <Real Name="X">0.000000</Real>
-        <Sequence Name="Y">
-          <Int Name="Length">2</Int>
+        <DataValues>
+          <Int Name="Count">2</Int>
           <DataValue>
             <Real Name="Value">90.000000</Real>
           </DataValue>
           <DataValue>
             <Real Name="Value">45.000000</Real>
           </DataValue>
-        </Sequence>
+        </DataValues>
       </DataFrame>
     </AnalysisData>
     <AnalysisData Name="average">
       <DataFrame Name="Frame0">
         <Real Name="X">0.000000</Real>
-        <Sequence Name="Y">
-          <Int Name="Length">1</Int>
+        <DataValues>
+          <Int Name="Count">1</Int>
           <DataValue>
             <Real Name="Value">67.500000</Real>
           </DataValue>
-        </Sequence>
+        </DataValues>
       </DataFrame>
     </AnalysisData>
     <AnalysisData Name="histogram">
       <DataFrame Name="Frame0">
         <Real Name="X">30.000000</Real>
-        <Sequence Name="Y">
-          <Int Name="Length">2</Int>
+        <DataValues>
+          <Int Name="Count">2</Int>
           <DataValue>
             <Real Name="Value">0.008333</Real>
           </DataValue>
           <DataValue>
             <Real Name="Value">0.000000</Real>
           </DataValue>
-        </Sequence>
+        </DataValues>
       </DataFrame>
       <DataFrame Name="Frame1">
         <Real Name="X">90.000000</Real>
-        <Sequence Name="Y">
-          <Int Name="Length">2</Int>
+        <DataValues>
+          <Int Name="Count">2</Int>
           <DataValue>
             <Real Name="Value">0.008333</Real>
           </DataValue>
           <DataValue>
             <Real Name="Value">0.000000</Real>
           </DataValue>
-        </Sequence>
+        </DataValues>
       </DataFrame>
       <DataFrame Name="Frame2">
         <Real Name="X">150.000000</Real>
-        <Sequence Name="Y">
-          <Int Name="Length">2</Int>
+        <DataValues>
+          <Int Name="Count">2</Int>
           <DataValue>
             <Real Name="Value">0.000000</Real>
           </DataValue>
           <DataValue>
             <Real Name="Value">0.000000</Real>
           </DataValue>
-        </Sequence>
+        </DataValues>
       </DataFrame>
     </AnalysisData>
   </OutputData>

diff --git a/src/gromacs/trajectoryanalysis/tests/refdata/AngleModuleTest_ComputesVectorSphereNormalZAxisAngles.xml b/src/gromacs/trajectoryanalysis/tests/refdata/AngleModuleTest_ComputesVectorSphereNormalZAxisAngles.xml
index 16888871eb4ce680b6f45c5931d62f0ee145eb78..5392df1bb2482ce288f817299cf977c94a1c9210 100644 (file)
--- a/src/gromacs/trajectoryanalysis/tests/refdata/AngleModuleTest_ComputesVectorSphereNormalZAxisAngles.xml
+++ b/src/gromacs/trajectoryanalysis/tests/refdata/AngleModuleTest_ComputesVectorSphereNormalZAxisAngles.xml
@@ -6,64 +6,64 @@
     <AnalysisData Name="angle">
       <DataFrame Name="Frame0">
         <Real Name="X">0.000000</Real>
-        <Sequence Name="Y">
-          <Int Name="Length">2</Int>
+        <DataValues>
+          <Int Name="Count">2</Int>
           <DataValue>
             <Real Name="Value">33.690067</Real>
           </DataValue>
           <DataValue>
             <Real Name="Value">79.975014</Real>
           </DataValue>
-        </Sequence>
+        </DataValues>
       </DataFrame>
     </AnalysisData>
     <AnalysisData Name="average">
       <DataFrame Name="Frame0">
         <Real Name="X">0.000000</Real>
-        <Sequence Name="Y">
-          <Int Name="Length">1</Int>
+        <DataValues>
+          <Int Name="Count">1</Int>
           <DataValue>
             <Real Name="Value">56.832542</Real>
           </DataValue>
-        </Sequence>
+        </DataValues>
       </DataFrame>
     </AnalysisData>
     <AnalysisData Name="histogram">
       <DataFrame Name="Frame0">
         <Real Name="X">30.000000</Real>
-        <Sequence Name="Y">
-          <Int Name="Length">2</Int>
+        <DataValues>
+          <Int Name="Count">2</Int>
           <DataValue>
             <Real Name="Value">0.008333</Real>
           </DataValue>
           <DataValue>
             <Real Name="Value">0.000000</Real>
           </DataValue>
-        </Sequence>
+        </DataValues>
       </DataFrame>
       <DataFrame Name="Frame1">
         <Real Name="X">90.000000</Real>
-        <Sequence Name="Y">
-          <Int Name="Length">2</Int>
+        <DataValues>
+          <Int Name="Count">2</Int>
           <DataValue>
             <Real Name="Value">0.008333</Real>
           </DataValue>
           <DataValue>
             <Real Name="Value">0.000000</Real>
           </DataValue>
-        </Sequence>
+        </DataValues>
       </DataFrame>
       <DataFrame Name="Frame2">
         <Real Name="X">150.000000</Real>
-        <Sequence Name="Y">
-          <Int Name="Length">2</Int>
+        <DataValues>
+          <Int Name="Count">2</Int>
           <DataValue>
             <Real Name="Value">0.000000</Real>
           </DataValue>
           <DataValue>
             <Real Name="Value">0.000000</Real>
           </DataValue>
-        </Sequence>
+        </DataValues>
       </DataFrame>
     </AnalysisData>
   </OutputData>

diff --git a/src/gromacs/trajectoryanalysis/tests/refdata/AngleModuleTest_ComputesVectorTimeZeroAngles.xml b/src/gromacs/trajectoryanalysis/tests/refdata/AngleModuleTest_ComputesVectorTimeZeroAngles.xml
index 2a7e621aff0a2f220a29a10aaca953106619b806..50ca1d66c794f61204617c205049f4b511bddc8f 100644 (file)
--- a/src/gromacs/trajectoryanalysis/tests/refdata/AngleModuleTest_ComputesVectorTimeZeroAngles.xml
+++ b/src/gromacs/trajectoryanalysis/tests/refdata/AngleModuleTest_ComputesVectorTimeZeroAngles.xml
@@ -6,8 +6,8 @@
     <AnalysisData Name="angle">
       <DataFrame Name="Frame0">
         <Real Name="X">0.000000</Real>
-        <Sequence Name="Y">
-          <Int Name="Length">4</Int>
+        <DataValues>
+          <Int Name="Count">4</Int>
           <DataValue>
             <Real Name="Value">0.000000</Real>
           </DataValue>
@@ -20,12 +20,12 @@
           <DataValue>
             <Real Name="Value">0.000000</Real>
           </DataValue>
-        </Sequence>
+        </DataValues>
       </DataFrame>
       <DataFrame Name="Frame1">
         <Real Name="X">0.000000</Real>
-        <Sequence Name="Y">
-          <Int Name="Length">4</Int>
+        <DataValues>
+          <Int Name="Count">4</Int>
           <DataValue>
             <Real Name="Value">0.000000</Real>
           </DataValue>
@@ -38,65 +38,65 @@
           <DataValue>
             <Real Name="Value">90.000000</Real>
           </DataValue>
-        </Sequence>
+        </DataValues>
       </DataFrame>
     </AnalysisData>
     <AnalysisData Name="average">
       <DataFrame Name="Frame0">
         <Real Name="X">0.000000</Real>
-        <Sequence Name="Y">
-          <Int Name="Length">1</Int>
+        <DataValues>
+          <Int Name="Count">1</Int>
           <DataValue>
             <Real Name="Value">0.000000</Real>
           </DataValue>
-        </Sequence>
+        </DataValues>
       </DataFrame>
       <DataFrame Name="Frame1">
         <Real Name="X">0.000000</Real>
-        <Sequence Name="Y">
-          <Int Name="Length">1</Int>
+        <DataValues>
+          <Int Name="Count">1</Int>
           <DataValue>
             <Real Name="Value">78.750000</Real>
           </DataValue>
-        </Sequence>
+        </DataValues>
       </DataFrame>
     </AnalysisData>
     <AnalysisData Name="histogram">
       <DataFrame Name="Frame0">
         <Real Name="X">30.000000</Real>
-        <Sequence Name="Y">
-          <Int Name="Length">2</Int>
+        <DataValues>
+          <Int Name="Count">2</Int>
           <DataValue>
             <Real Name="Value">0.012500</Real>
           </DataValue>
           <DataValue>
             <Real Name="Value">0.005893</Real>
           </DataValue>
-        </Sequence>
+        </DataValues>
       </DataFrame>
       <DataFrame Name="Frame1">
         <Real Name="X">90.000000</Real>
-        <Sequence Name="Y">
-          <Int Name="Length">2</Int>
+        <DataValues>
+          <Int Name="Count">2</Int>
           <DataValue>
             <Real Name="Value">0.002083</Real>
           </DataValue>
           <DataValue>
             <Real Name="Value">0.002946</Real>
           </DataValue>
-        </Sequence>
+        </DataValues>
       </DataFrame>
       <DataFrame Name="Frame2">
         <Real Name="X">150.000000</Real>
-        <Sequence Name="Y">
-          <Int Name="Length">2</Int>
+        <DataValues>
+          <Int Name="Count">2</Int>
           <DataValue>
             <Real Name="Value">0.002083</Real>
           </DataValue>
           <DataValue>
             <Real Name="Value">0.002946</Real>
           </DataValue>
-        </Sequence>
+        </DataValues>
       </DataFrame>
     </AnalysisData>
   </OutputData>

diff --git a/src/gromacs/trajectoryanalysis/tests/refdata/FreeVolumeModuleTest_ComputesFreeVolume.xml b/src/gromacs/trajectoryanalysis/tests/refdata/FreeVolumeModuleTest_ComputesFreeVolume.xml
index a423d2cfdc7de9d8c7fdde832ef2939c1ee3e9a1..f2d1629d56776300b387a461ad8235acb3b47d23 100644 (file)
--- a/src/gromacs/trajectoryanalysis/tests/refdata/FreeVolumeModuleTest_ComputesFreeVolume.xml
+++ b/src/gromacs/trajectoryanalysis/tests/refdata/FreeVolumeModuleTest_ComputesFreeVolume.xml
@@ -6,15 +6,15 @@
     <AnalysisData Name="freevolume">
       <DataFrame Name="Frame0">
         <Real Name="X">0.000000</Real>
-        <Sequence Name="Y">
-          <Int Name="Length">2</Int>
+        <DataValues>
+          <Int Name="Count">2</Int>
           <DataValue>
             <Real Name="Value">37.199112</Real>
           </DataValue>
           <DataValue>
             <Real Name="Value">68.921501</Real>
           </DataValue>
-        </Sequence>
+        </DataValues>
       </DataFrame>
     </AnalysisData>
   </OutputData>

diff --git a/src/gromacs/trajectoryanalysis/tests/refdata/FreeVolumeModuleTest_ComputesFreeVolumeSelection.xml b/src/gromacs/trajectoryanalysis/tests/refdata/FreeVolumeModuleTest_ComputesFreeVolumeSelection.xml
index a0f75cb0b73180673a4e2466083f861ecee02c99..0b4656ad7ba85fead2b57092db81baa33ae77949 100644 (file)
--- a/src/gromacs/trajectoryanalysis/tests/refdata/FreeVolumeModuleTest_ComputesFreeVolumeSelection.xml
+++ b/src/gromacs/trajectoryanalysis/tests/refdata/FreeVolumeModuleTest_ComputesFreeVolumeSelection.xml
@@ -6,15 +6,15 @@
     <AnalysisData Name="freevolume">
       <DataFrame Name="Frame0">
         <Real Name="X">0.000000</Real>
-        <Sequence Name="Y">
-          <Int Name="Length">2</Int>
+        <DataValues>
+          <Int Name="Count">2</Int>
           <DataValue>
             <Real Name="Value">38.779182</Real>
           </DataValue>
           <DataValue>
             <Real Name="Value">68.921501</Real>
           </DataValue>
-        </Sequence>
+        </DataValues>
       </DataFrame>
     </AnalysisData>
   </OutputData>

diff --git a/src/gromacs/trajectoryanalysis/tests/refdata/SelectModuleTest_BasicTest.xml b/src/gromacs/trajectoryanalysis/tests/refdata/SelectModuleTest_BasicTest.xml
index d3b4239f2b0ba547b941afbd303c563a1318a072..2854405eb8dd085d805435568224caaa937da9d3 100644 (file)
--- a/src/gromacs/trajectoryanalysis/tests/refdata/SelectModuleTest_BasicTest.xml
+++ b/src/gromacs/trajectoryanalysis/tests/refdata/SelectModuleTest_BasicTest.xml
@@ -6,272 +6,272 @@
     <AnalysisData Name="index">
       <DataFrame Name="Frame0">
         <Real Name="X">0.000000</Real>
-        <Sequence Name="Y">
-          <Int Name="Length">1</Int>
+        <DataValues>
+          <Int Name="Count">1</Int>
           <Int Name="FirstColumn">0</Int>
           <Int Name="LastColumn">0</Int>
           <DataValue>
             <Real Name="Value">8.000000</Real>
           </DataValue>
-        </Sequence>
-        <Sequence Name="Y">
-          <Int Name="Length">1</Int>
+        </DataValues>
+        <DataValues>
+          <Int Name="Count">1</Int>
           <Int Name="FirstColumn">1</Int>
           <Int Name="LastColumn">1</Int>
           <DataValue>
             <Real Name="Value">1.000000</Real>
           </DataValue>
-        </Sequence>
-        <Sequence Name="Y">
-          <Int Name="Length">1</Int>
+        </DataValues>
+        <DataValues>
+          <Int Name="Count">1</Int>
           <Int Name="FirstColumn">1</Int>
           <Int Name="LastColumn">1</Int>
           <DataValue>
             <Real Name="Value">2.000000</Real>
           </DataValue>
-        </Sequence>
-        <Sequence Name="Y">
-          <Int Name="Length">1</Int>
+        </DataValues>
+        <DataValues>
+          <Int Name="Count">1</Int>
           <Int Name="FirstColumn">1</Int>
           <Int Name="LastColumn">1</Int>
           <DataValue>
             <Real Name="Value">5.000000</Real>
           </DataValue>
-        </Sequence>
-        <Sequence Name="Y">
-          <Int Name="Length">1</Int>
+        </DataValues>
+        <DataValues>
+          <Int Name="Count">1</Int>
           <Int Name="FirstColumn">1</Int>
           <Int Name="LastColumn">1</Int>
           <DataValue>
             <Real Name="Value">6.000000</Real>
           </DataValue>
-        </Sequence>
-        <Sequence Name="Y">
-          <Int Name="Length">1</Int>
+        </DataValues>
+        <DataValues>
+          <Int Name="Count">1</Int>
           <Int Name="FirstColumn">1</Int>
           <Int Name="LastColumn">1</Int>
           <DataValue>
             <Real Name="Value">9.000000</Real>
           </DataValue>
-        </Sequence>
-        <Sequence Name="Y">
-          <Int Name="Length">1</Int>
+        </DataValues>
+        <DataValues>
+          <Int Name="Count">1</Int>
           <Int Name="FirstColumn">1</Int>
           <Int Name="LastColumn">1</Int>
           <DataValue>
             <Real Name="Value">10.000000</Real>
           </DataValue>
-        </Sequence>
-        <Sequence Name="Y">
-          <Int Name="Length">1</Int>
+        </DataValues>
+        <DataValues>
+          <Int Name="Count">1</Int>
           <Int Name="FirstColumn">1</Int>
           <Int Name="LastColumn">1</Int>
           <DataValue>
             <Real Name="Value">13.000000</Real>
           </DataValue>
-        </Sequence>
-        <Sequence Name="Y">
-          <Int Name="Length">1</Int>
+        </DataValues>
+        <DataValues>
+          <Int Name="Count">1</Int>
           <Int Name="FirstColumn">1</Int>
           <Int Name="LastColumn">1</Int>
           <DataValue>
             <Real Name="Value">14.000000</Real>
           </DataValue>
-        </Sequence>
-        <Sequence Name="Y">
-          <Int Name="Length">1</Int>
+        </DataValues>
+        <DataValues>
+          <Int Name="Count">1</Int>
           <Int Name="FirstColumn">0</Int>
           <Int Name="LastColumn">0</Int>
           <DataValue>
             <Real Name="Value">6.000000</Real>
           </DataValue>
-        </Sequence>
-        <Sequence Name="Y">
-          <Int Name="Length">1</Int>
+        </DataValues>
+        <DataValues>
+          <Int Name="Count">1</Int>
           <Int Name="FirstColumn">1</Int>
           <Int Name="LastColumn">1</Int>
           <DataValue>
             <Real Name="Value">1.000000</Real>
           </DataValue>
-        </Sequence>
-        <Sequence Name="Y">
-          <Int Name="Length">1</Int>
+        </DataValues>
+        <DataValues>
+          <Int Name="Count">1</Int>
           <Int Name="FirstColumn">1</Int>
           <Int Name="LastColumn">1</Int>
           <DataValue>
             <Real Name="Value">2.000000</Real>
           </DataValue>
-        </Sequence>
-        <Sequence Name="Y">
-          <Int Name="Length">1</Int>
+        </DataValues>
+        <DataValues>
+          <Int Name="Count">1</Int>
           <Int Name="FirstColumn">1</Int>
           <Int Name="LastColumn">1</Int>
           <DataValue>
             <Real Name="Value">3.000000</Real>
           </DataValue>
-        </Sequence>
-        <Sequence Name="Y">
-          <Int Name="Length">1</Int>
+        </DataValues>
+        <DataValues>
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           <Int Name="FirstColumn">1</Int>
           <Int Name="LastColumn">1</Int>
           <DataValue>
             <Real Name="Value">7.000000</Real>
           </DataValue>
-        </Sequence>
-        <Sequence Name="Y">
-          <Int Name="Length">1</Int>
+        </DataValues>
+        <DataValues>
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           <Int Name="FirstColumn">1</Int>
           <Int Name="LastColumn">1</Int>
           <DataValue>
             <Real Name="Value">8.000000</Real>
           </DataValue>
-        </Sequence>
-        <Sequence Name="Y">
-          <Int Name="Length">1</Int>
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+        <DataValues>
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           <Int Name="LastColumn">1</Int>
           <DataValue>
             <Real Name="Value">9.000000</Real>
           </DataValue>
-        </Sequence>
+        </DataValues>
       </DataFrame>
       <DataFrame Name="Frame1">
         <Real Name="X">0.000000</Real>
-        <Sequence Name="Y">
-          <Int Name="Length">1</Int>
+        <DataValues>
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           <Int Name="LastColumn">0</Int>
           <DataValue>
             <Real Name="Value">8.000000</Real>
           </DataValue>
-        </Sequence>
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           <DataValue>
             <Real Name="Value">1.000000</Real>
           </DataValue>
-        </Sequence>
-        <Sequence Name="Y">
-          <Int Name="Length">1</Int>
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           <DataValue>
             <Real Name="Value">3.000000</Real>
           </DataValue>
-        </Sequence>
-        <Sequence Name="Y">
-          <Int Name="Length">1</Int>
+        </DataValues>
+        <DataValues>
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           <Int Name="LastColumn">1</Int>
           <DataValue>
             <Real Name="Value">4.000000</Real>
           </DataValue>
-        </Sequence>
-        <Sequence Name="Y">
-          <Int Name="Length">1</Int>
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+        <DataValues>
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           <Int Name="LastColumn">1</Int>
           <DataValue>
             <Real Name="Value">7.000000</Real>
           </DataValue>
-        </Sequence>
-        <Sequence Name="Y">
-          <Int Name="Length">1</Int>
+        </DataValues>
+        <DataValues>
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           <DataValue>
             <Real Name="Value">8.000000</Real>
           </DataValue>
-        </Sequence>
-        <Sequence Name="Y">
-          <Int Name="Length">1</Int>
+        </DataValues>
+        <DataValues>
+          <Int Name="Count">1</Int>
           <Int Name="FirstColumn">1</Int>
           <Int Name="LastColumn">1</Int>
           <DataValue>
             <Real Name="Value">9.000000</Real>
           </DataValue>
-        </Sequence>
-        <Sequence Name="Y">
-          <Int Name="Length">1</Int>
+        </DataValues>
+        <DataValues>
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           <Int Name="LastColumn">1</Int>
           <DataValue>
             <Real Name="Value">12.000000</Real>
           </DataValue>
-        </Sequence>
-        <Sequence Name="Y">
-          <Int Name="Length">1</Int>
+        </DataValues>
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           <DataValue>
             <Real Name="Value">13.000000</Real>
           </DataValue>
-        </Sequence>
-        <Sequence Name="Y">
-          <Int Name="Length">1</Int>
+        </DataValues>
+        <DataValues>
+          <Int Name="Count">1</Int>
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           <Int Name="LastColumn">0</Int>
           <DataValue>
             <Real Name="Value">6.000000</Real>
           </DataValue>
-        </Sequence>
-        <Sequence Name="Y">
-          <Int Name="Length">1</Int>
+        </DataValues>
+        <DataValues>
+          <Int Name="Count">1</Int>
           <Int Name="FirstColumn">1</Int>
           <Int Name="LastColumn">1</Int>
           <DataValue>
             <Real Name="Value">1.000000</Real>
           </DataValue>
-        </Sequence>
-        <Sequence Name="Y">
-          <Int Name="Length">1</Int>
+        </DataValues>
+        <DataValues>
+          <Int Name="Count">1</Int>
           <Int Name="FirstColumn">1</Int>
           <Int Name="LastColumn">1</Int>
           <DataValue>
             <Real Name="Value">2.000000</Real>
           </DataValue>
-        </Sequence>
-        <Sequence Name="Y">
-          <Int Name="Length">1</Int>
+        </DataValues>
+        <DataValues>
+          <Int Name="Count">1</Int>
           <Int Name="FirstColumn">1</Int>
           <Int Name="LastColumn">1</Int>
           <DataValue>
             <Real Name="Value">3.000000</Real>
           </DataValue>
-        </Sequence>
-        <Sequence Name="Y">
-          <Int Name="Length">1</Int>
+        </DataValues>
+        <DataValues>
+          <Int Name="Count">1</Int>
           <Int Name="FirstColumn">1</Int>
           <Int Name="LastColumn">1</Int>
           <DataValue>
             <Real Name="Value">7.000000</Real>
           </DataValue>
-        </Sequence>
-        <Sequence Name="Y">
-          <Int Name="Length">1</Int>
+        </DataValues>
+        <DataValues>
+          <Int Name="Count">1</Int>
           <Int Name="FirstColumn">1</Int>
           <Int Name="LastColumn">1</Int>
           <DataValue>
             <Real Name="Value">8.000000</Real>
           </DataValue>
-        </Sequence>
-        <Sequence Name="Y">
-          <Int Name="Length">1</Int>
+        </DataValues>
+        <DataValues>
+          <Int Name="Count">1</Int>
           <Int Name="FirstColumn">1</Int>
           <Int Name="LastColumn">1</Int>
           <DataValue>
             <Real Name="Value">9.000000</Real>
           </DataValue>
-        </Sequence>
+        </DataValues>
       </DataFrame>
     </AnalysisData>
     <AnalysisData Name="mask">
       <DataFrame Name="Frame0">
         <Real Name="X">0.000000</Real>
-        <Sequence Name="Y">
-          <Int Name="Length">15</Int>
+        <DataValues>
+          <Int Name="Count">15</Int>
           <DataValue>
             <Real Name="Value">1.000000</Real>
           </DataValue>
@@ -317,12 +317,12 @@
           <DataValue>
             <Real Name="Value">0.000000</Real>
           </DataValue>
-        </Sequence>
+        </DataValues>
       </DataFrame>
       <DataFrame Name="Frame1">
         <Real Name="X">0.000000</Real>
-        <Sequence Name="Y">
-          <Int Name="Length">15</Int>
+        <DataValues>
+          <Int Name="Count">15</Int>
           <DataValue>
             <Real Name="Value">1.000000</Real>
           </DataValue>
@@ -368,215 +368,215 @@
           <DataValue>
             <Real Name="Value">0.000000</Real>
           </DataValue>
-        </Sequence>
+        </DataValues>
       </DataFrame>
     </AnalysisData>
     <AnalysisData Name="occupancy">
       <DataFrame Name="Frame0">
         <Real Name="X">1.000000</Real>
-        <Sequence Name="Y">
-          <Int Name="Length">2</Int>
+        <DataValues>
+          <Int Name="Count">2</Int>
           <DataValue>
             <Real Name="Value">1.000000</Real>
           </DataValue>
           <DataValue>
             <Real Name="Value">0.000000</Real>
           </DataValue>
-        </Sequence>
+        </DataValues>
       </DataFrame>
       <DataFrame Name="Frame1">
         <Real Name="X">2.000000</Real>
-        <Sequence Name="Y">
-          <Int Name="Length">2</Int>
+        <DataValues>
+          <Int Name="Count">2</Int>
           <DataValue>
             <Real Name="Value">0.500000</Real>
           </DataValue>
           <DataValue>
             <Real Name="Value">0.707107</Real>
           </DataValue>
-        </Sequence>
+        </DataValues>
       </DataFrame>
       <DataFrame Name="Frame2">
         <Real Name="X">3.000000</Real>
-        <Sequence Name="Y">
-          <Int Name="Length">2</Int>
+        <DataValues>
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           <DataValue>
             <Real Name="Value">0.500000</Real>
           </DataValue>
           <DataValue>
             <Real Name="Value">0.707107</Real>
           </DataValue>
-        </Sequence>
+        </DataValues>
       </DataFrame>
       <DataFrame Name="Frame3">
         <Real Name="X">4.000000</Real>
-        <Sequence Name="Y">
-          <Int Name="Length">2</Int>
+        <DataValues>
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           <DataValue>
             <Real Name="Value">0.500000</Real>
           </DataValue>
           <DataValue>
             <Real Name="Value">0.707107</Real>
           </DataValue>
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       </DataFrame>
       <DataFrame Name="Frame4">
         <Real Name="X">5.000000</Real>
-        <Sequence Name="Y">
-          <Int Name="Length">2</Int>
+        <DataValues>
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             <Real Name="Value">0.500000</Real>
           </DataValue>
           <DataValue>
             <Real Name="Value">0.707107</Real>
           </DataValue>
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       </DataFrame>
       <DataFrame Name="Frame5">
         <Real Name="X">6.000000</Real>
-        <Sequence Name="Y">
-          <Int Name="Length">2</Int>
+        <DataValues>
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           <DataValue>
             <Real Name="Value">0.500000</Real>
           </DataValue>
           <DataValue>
             <Real Name="Value">0.707107</Real>
           </DataValue>
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       </DataFrame>
       <DataFrame Name="Frame6">
         <Real Name="X">7.000000</Real>
-        <Sequence Name="Y">
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+        <DataValues>
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           </DataValue>
           <DataValue>
             <Real Name="Value">0.707107</Real>
           </DataValue>
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       <DataFrame Name="Frame7">
         <Real Name="X">8.000000</Real>
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           </DataValue>
           <DataValue>
             <Real Name="Value">0.707107</Real>
           </DataValue>
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       <DataFrame Name="Frame8">
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           </DataValue>
           <DataValue>
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           </DataValue>
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           </DataValue>
           <DataValue>
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       </DataFrame>
       <DataFrame Name="Frame11">
         <Real Name="X">12.000000</Real>
-        <Sequence Name="Y">
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           </DataValue>
           <DataValue>
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           </DataValue>
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         <Real Name="X">13.000000</Real>
-        <Sequence Name="Y">
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+        <DataValues>
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           </DataValue>
           <DataValue>
             <Real Name="Value">0.000000</Real>
           </DataValue>
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       </DataFrame>
       <DataFrame Name="Frame13">
         <Real Name="X">14.000000</Real>
-        <Sequence Name="Y">
-          <Int Name="Length">2</Int>
+        <DataValues>
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             <Real Name="Value">0.500000</Real>
           </DataValue>
           <DataValue>
             <Real Name="Value">0.707107</Real>
           </DataValue>
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       </DataFrame>
       <DataFrame Name="Frame14">
         <Real Name="X">15.000000</Real>
-        <Sequence Name="Y">
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           </DataValue>
           <DataValue>
             <Real Name="Value">0.000000</Real>
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     <AnalysisData Name="size">
       <DataFrame Name="Frame0">
         <Real Name="X">0.000000</Real>
-        <Sequence Name="Y">
-          <Int Name="Length">2</Int>
+        <DataValues>
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           </DataValue>
           <DataValue>
             <Real Name="Value">6.000000</Real>
           </DataValue>
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       </DataFrame>
       <DataFrame Name="Frame1">
         <Real Name="X">0.000000</Real>
-        <Sequence Name="Y">
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+        <DataValues>
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           <DataValue>
             <Real Name="Value">6.000000</Real>
           </DataValue>
-        </Sequence>
+        </DataValues>
       </DataFrame>
     </AnalysisData>
   </OutputData>

diff --git a/src/gromacs/trajectoryanalysis/tests/refdata/SelectModuleTest_HandlesDumpOption.xml b/src/gromacs/trajectoryanalysis/tests/refdata/SelectModuleTest_HandlesDumpOption.xml
index 8f2e0bcd1e6026b98bb8350ff0523bd1269e459a..761e20de141e3e935a68f34abc1f83b2ffcd2193 100644 (file)
--- a/src/gromacs/trajectoryanalysis/tests/refdata/SelectModuleTest_HandlesDumpOption.xml
+++ b/src/gromacs/trajectoryanalysis/tests/refdata/SelectModuleTest_HandlesDumpOption.xml
@@ -6,78 +6,78 @@
     <AnalysisData Name="index">
       <DataFrame Name="Frame0">
         <Real Name="X">0.000000</Real>
-        <Sequence Name="Y">
-          <Int Name="Length">1</Int>
+        <DataValues>
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           <Int Name="LastColumn">0</Int>
           <DataValue>
             <Real Name="Value">8.000000</Real>
           </DataValue>
-        </Sequence>
-        <Sequence Name="Y">
-          <Int Name="Length">1</Int>
+        </DataValues>
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             <Real Name="Value">1.000000</Real>
           </DataValue>
-        </Sequence>
-        <Sequence Name="Y">
-          <Int Name="Length">1</Int>
+        </DataValues>
+        <DataValues>
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           <Int Name="FirstColumn">1</Int>
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           <DataValue>
             <Real Name="Value">2.000000</Real>
           </DataValue>
-        </Sequence>
-        <Sequence Name="Y">
-          <Int Name="Length">1</Int>
+        </DataValues>
+        <DataValues>
+          <Int Name="Count">1</Int>
           <Int Name="FirstColumn">1</Int>
           <Int Name="LastColumn">1</Int>
           <DataValue>
             <Real Name="Value">5.000000</Real>
           </DataValue>
-        </Sequence>
-        <Sequence Name="Y">
-          <Int Name="Length">1</Int>
+        </DataValues>
+        <DataValues>
+          <Int Name="Count">1</Int>
           <Int Name="FirstColumn">1</Int>
           <Int Name="LastColumn">1</Int>
           <DataValue>
             <Real Name="Value">6.000000</Real>
           </DataValue>
-        </Sequence>
-        <Sequence Name="Y">
-          <Int Name="Length">1</Int>
+        </DataValues>
+        <DataValues>
+          <Int Name="Count">1</Int>
           <Int Name="FirstColumn">1</Int>
           <Int Name="LastColumn">1</Int>
           <DataValue>
             <Real Name="Value">9.000000</Real>
           </DataValue>
-        </Sequence>
-        <Sequence Name="Y">
-          <Int Name="Length">1</Int>
+        </DataValues>
+        <DataValues>
+          <Int Name="Count">1</Int>
           <Int Name="FirstColumn">1</Int>
           <Int Name="LastColumn">1</Int>
           <DataValue>
             <Real Name="Value">10.000000</Real>
           </DataValue>
-        </Sequence>
-        <Sequence Name="Y">
-          <Int Name="Length">1</Int>
+        </DataValues>
+        <DataValues>
+          <Int Name="Count">1</Int>
           <Int Name="FirstColumn">1</Int>
           <Int Name="LastColumn">1</Int>
           <DataValue>
             <Real Name="Value">13.000000</Real>
           </DataValue>
-        </Sequence>
-        <Sequence Name="Y">
-          <Int Name="Length">1</Int>
+        </DataValues>
+        <DataValues>
+          <Int Name="Count">1</Int>
           <Int Name="FirstColumn">1</Int>
           <Int Name="LastColumn">1</Int>
           <DataValue>
             <Real Name="Value">14.000000</Real>
           </DataValue>
-        </Sequence>
+        </DataValues>
       </DataFrame>
     </AnalysisData>
   </OutputData>

diff --git a/src/gromacs/trajectoryanalysis/tests/refdata/SelectModuleTest_HandlesMaxPDBOutput.xml b/src/gromacs/trajectoryanalysis/tests/refdata/SelectModuleTest_HandlesMaxPDBOutput.xml
index 814b8c3683bbcef5ea4644c8a7602f9f43931014..e41478da2d6987b244699dfff95354a9eca29579 100644 (file)
--- a/src/gromacs/trajectoryanalysis/tests/refdata/SelectModuleTest_HandlesMaxPDBOutput.xml
+++ b/src/gromacs/trajectoryanalysis/tests/refdata/SelectModuleTest_HandlesMaxPDBOutput.xml
@@ -6,111 +6,111 @@
     <AnalysisData Name="occupancy">
       <DataFrame Name="Frame0">
         <Real Name="X">1.000000</Real>
-        <Sequence Name="Y">
-          <Int Name="Length">2</Int>
+        <DataValues>
+          <Int Name="Count">2</Int>
           <DataValue>
             <Real Name="Value">1.000000</Real>
           </DataValue>
           <DataValue>
             <Real Name="Value">0.000000</Real>
           </DataValue>
-        </Sequence>
+        </DataValues>
       </DataFrame>
       <DataFrame Name="Frame1">
         <Real Name="X">2.000000</Real>
-        <Sequence Name="Y">
-          <Int Name="Length">2</Int>
+        <DataValues>
+          <Int Name="Count">2</Int>
           <DataValue>
             <Real Name="Value">0.500000</Real>
           </DataValue>
           <DataValue>
             <Real Name="Value">0.707107</Real>
           </DataValue>
-        </Sequence>
+        </DataValues>
       </DataFrame>
       <DataFrame Name="Frame2">
         <Real Name="X">3.000000</Real>
-        <Sequence Name="Y">
-          <Int Name="Length">2</Int>
+        <DataValues>
+          <Int Name="Count">2</Int>
           <DataValue>
             <Real Name="Value">0.500000</Real>
           </DataValue>
           <DataValue>
             <Real Name="Value">0.707107</Real>
           </DataValue>
-        </Sequence>
+        </DataValues>
       </DataFrame>
       <DataFrame Name="Frame3">
         <Real Name="X">4.000000</Real>
-        <Sequence Name="Y">
-          <Int Name="Length">2</Int>
+        <DataValues>
+          <Int Name="Count">2</Int>
           <DataValue>
             <Real Name="Value">0.500000</Real>
           </DataValue>
           <DataValue>
             <Real Name="Value">0.707107</Real>
           </DataValue>
-        </Sequence>
+        </DataValues>
       </DataFrame>
       <DataFrame Name="Frame4">
         <Real Name="X">5.000000</Real>
-        <Sequence Name="Y">
-          <Int Name="Length">2</Int>
+        <DataValues>
+          <Int Name="Count">2</Int>
           <DataValue>
             <Real Name="Value">0.500000</Real>
           </DataValue>
           <DataValue>
             <Real Name="Value">0.707107</Real>
           </DataValue>
-        </Sequence>
+        </DataValues>
       </DataFrame>
       <DataFrame Name="Frame5">
         <Real Name="X">6.000000</Real>
-        <Sequence Name="Y">
-          <Int Name="Length">2</Int>
+        <DataValues>
+          <Int Name="Count">2</Int>
           <DataValue>
             <Real Name="Value">1.000000</Real>
           </DataValue>
           <DataValue>
             <Real Name="Value">0.000000</Real>
           </DataValue>
-        </Sequence>
+        </DataValues>
       </DataFrame>
       <DataFrame Name="Frame6">
         <Real Name="X">7.000000</Real>
-        <Sequence Name="Y">
-          <Int Name="Length">2</Int>
+        <DataValues>
+          <Int Name="Count">2</Int>
           <DataValue>
             <Real Name="Value">1.000000</Real>
           </DataValue>
           <DataValue>
             <Real Name="Value">0.000000</Real>
           </DataValue>
-        </Sequence>
+        </DataValues>
       </DataFrame>
       <DataFrame Name="Frame7">
         <Real Name="X">8.000000</Real>
-        <Sequence Name="Y">
-          <Int Name="Length">2</Int>
+        <DataValues>
+          <Int Name="Count">2</Int>
           <DataValue>
             <Real Name="Value">0.500000</Real>
           </DataValue>
           <DataValue>
             <Real Name="Value">0.707107</Real>
           </DataValue>
-        </Sequence>
+        </DataValues>
       </DataFrame>
       <DataFrame Name="Frame8">
         <Real Name="X">9.000000</Real>
-        <Sequence Name="Y">
-          <Int Name="Length">2</Int>
+        <DataValues>
+          <Int Name="Count">2</Int>
           <DataValue>
             <Real Name="Value">0.000000</Real>
           </DataValue>
           <DataValue>
             <Real Name="Value">0.000000</Real>
           </DataValue>
-        </Sequence>
+        </DataValues>
       </DataFrame>
     </AnalysisData>
   </OutputData>

diff --git a/src/gromacs/trajectoryanalysis/tests/refdata/SelectModuleTest_HandlesPDBOutputWithNonPDBInput.xml b/src/gromacs/trajectoryanalysis/tests/refdata/SelectModuleTest_HandlesPDBOutputWithNonPDBInput.xml
index 909d736d48e49f4e6885b9920eb18742758e0081..b53341d8144a891ac1cb91330e9126fe692af446 100644 (file)
--- a/src/gromacs/trajectoryanalysis/tests/refdata/SelectModuleTest_HandlesPDBOutputWithNonPDBInput.xml
+++ b/src/gromacs/trajectoryanalysis/tests/refdata/SelectModuleTest_HandlesPDBOutputWithNonPDBInput.xml
@@ -6,111 +6,111 @@
     <AnalysisData Name="occupancy">
       <DataFrame Name="Frame0">
         <Real Name="X">1.000000</Real>
-        <Sequence Name="Y">
-          <Int Name="Length">2</Int>
+        <DataValues>
+          <Int Name="Count">2</Int>
           <DataValue>
             <Real Name="Value">1.000000</Real>
           </DataValue>
           <DataValue>
             <Real Name="Value">0.000000</Real>
           </DataValue>
-        </Sequence>
+        </DataValues>
       </DataFrame>
       <DataFrame Name="Frame1">
         <Real Name="X">2.000000</Real>
-        <Sequence Name="Y">
-          <Int Name="Length">2</Int>
+        <DataValues>
+          <Int Name="Count">2</Int>
           <DataValue>
             <Real Name="Value">0.500000</Real>
           </DataValue>
           <DataValue>
             <Real Name="Value">0.707107</Real>
           </DataValue>
-        </Sequence>
+        </DataValues>
       </DataFrame>
       <DataFrame Name="Frame2">
         <Real Name="X">3.000000</Real>
-        <Sequence Name="Y">
-          <Int Name="Length">2</Int>
+        <DataValues>
+          <Int Name="Count">2</Int>
           <DataValue>
             <Real Name="Value">0.500000</Real>
           </DataValue>
           <DataValue>
             <Real Name="Value">0.707107</Real>
           </DataValue>
-        </Sequence>
+        </DataValues>
       </DataFrame>
       <DataFrame Name="Frame3">
         <Real Name="X">4.000000</Real>
-        <Sequence Name="Y">
-          <Int Name="Length">2</Int>
+        <DataValues>
+          <Int Name="Count">2</Int>
           <DataValue>
             <Real Name="Value">0.500000</Real>
           </DataValue>
           <DataValue>
             <Real Name="Value">0.707107</Real>
           </DataValue>
-        </Sequence>
+        </DataValues>
       </DataFrame>
       <DataFrame Name="Frame4">
         <Real Name="X">5.000000</Real>
-        <Sequence Name="Y">
-          <Int Name="Length">2</Int>
+        <DataValues>
+          <Int Name="Count">2</Int>
           <DataValue>
             <Real Name="Value">0.500000</Real>
           </DataValue>
           <DataValue>
             <Real Name="Value">0.707107</Real>
           </DataValue>
-        </Sequence>
+        </DataValues>
       </DataFrame>
       <DataFrame Name="Frame5">
         <Real Name="X">6.000000</Real>
-        <Sequence Name="Y">
-          <Int Name="Length">2</Int>
+        <DataValues>
+          <Int Name="Count">2</Int>
           <DataValue>
             <Real Name="Value">1.000000</Real>
           </DataValue>
           <DataValue>
             <Real Name="Value">0.000000</Real>
           </DataValue>
-        </Sequence>
+        </DataValues>
       </DataFrame>
       <DataFrame Name="Frame6">
         <Real Name="X">7.000000</Real>
-        <Sequence Name="Y">
-          <Int Name="Length">2</Int>
+        <DataValues>
+          <Int Name="Count">2</Int>
           <DataValue>
             <Real Name="Value">1.000000</Real>
           </DataValue>
           <DataValue>
             <Real Name="Value">0.000000</Real>
           </DataValue>
-        </Sequence>
+        </DataValues>
       </DataFrame>
       <DataFrame Name="Frame7">
         <Real Name="X">8.000000</Real>
-        <Sequence Name="Y">
-          <Int Name="Length">2</Int>
+        <DataValues>
+          <Int Name="Count">2</Int>
           <DataValue>
             <Real Name="Value">0.500000</Real>
           </DataValue>
           <DataValue>
             <Real Name="Value">0.707107</Real>
           </DataValue>
-        </Sequence>
+        </DataValues>
       </DataFrame>
       <DataFrame Name="Frame8">
         <Real Name="X">9.000000</Real>
-        <Sequence Name="Y">
-          <Int Name="Length">2</Int>
+        <DataValues>
+          <Int Name="Count">2</Int>
           <DataValue>
             <Real Name="Value">0.000000</Real>
           </DataValue>
           <DataValue>
             <Real Name="Value">0.000000</Real>
           </DataValue>
-        </Sequence>
+        </DataValues>
       </DataFrame>
     </AnalysisData>
   </OutputData>

diff --git a/src/gromacs/trajectoryanalysis/tests/refdata/SelectModuleTest_HandlesPDBOutputWithPDBInput.xml b/src/gromacs/trajectoryanalysis/tests/refdata/SelectModuleTest_HandlesPDBOutputWithPDBInput.xml
index 688f3f859937fd146b9603b6492feb5d3223f559..695c7276549d3025eff5d0b51b9ecb948c0e52d8 100644 (file)
--- a/src/gromacs/trajectoryanalysis/tests/refdata/SelectModuleTest_HandlesPDBOutputWithPDBInput.xml
+++ b/src/gromacs/trajectoryanalysis/tests/refdata/SelectModuleTest_HandlesPDBOutputWithPDBInput.xml
@@ -6,111 +6,111 @@
     <AnalysisData Name="occupancy">
       <DataFrame Name="Frame0">
         <Real Name="X">1.000000</Real>
-        <Sequence Name="Y">
-          <Int Name="Length">2</Int>
+        <DataValues>
+          <Int Name="Count">2</Int>
           <DataValue>
             <Real Name="Value">1.000000</Real>
           </DataValue>
           <DataValue>
             <Real Name="Value">0.000000</Real>
           </DataValue>
-        </Sequence>
+        </DataValues>
       </DataFrame>
       <DataFrame Name="Frame1">
         <Real Name="X">2.000000</Real>
-        <Sequence Name="Y">
-          <Int Name="Length">2</Int>
+        <DataValues>
+          <Int Name="Count">2</Int>
           <DataValue>
             <Real Name="Value">0.500000</Real>
           </DataValue>
           <DataValue>
             <Real Name="Value">0.707107</Real>
           </DataValue>
-        </Sequence>
+        </DataValues>
       </DataFrame>
       <DataFrame Name="Frame2">
         <Real Name="X">3.000000</Real>
-        <Sequence Name="Y">
-          <Int Name="Length">2</Int>
+        <DataValues>
+          <Int Name="Count">2</Int>
           <DataValue>
             <Real Name="Value">0.500000</Real>
           </DataValue>
           <DataValue>
             <Real Name="Value">0.707107</Real>
           </DataValue>
-        </Sequence>
+        </DataValues>
       </DataFrame>
       <DataFrame Name="Frame3">
         <Real Name="X">4.000000</Real>
-        <Sequence Name="Y">
-          <Int Name="Length">2</Int>
+        <DataValues>
+          <Int Name="Count">2</Int>
           <DataValue>
             <Real Name="Value">0.500000</Real>
           </DataValue>
           <DataValue>
             <Real Name="Value">0.707107</Real>
           </DataValue>
-        </Sequence>
+        </DataValues>
       </DataFrame>
       <DataFrame Name="Frame4">
         <Real Name="X">5.000000</Real>
-        <Sequence Name="Y">
-          <Int Name="Length">2</Int>
+        <DataValues>
+          <Int Name="Count">2</Int>
           <DataValue>
             <Real Name="Value">0.500000</Real>
           </DataValue>
           <DataValue>
             <Real Name="Value">0.707107</Real>
           </DataValue>
-        </Sequence>
+        </DataValues>
       </DataFrame>
       <DataFrame Name="Frame5">
         <Real Name="X">6.000000</Real>
-        <Sequence Name="Y">
-          <Int Name="Length">2</Int>
+        <DataValues>
+          <Int Name="Count">2</Int>
           <DataValue>
             <Real Name="Value">1.000000</Real>
           </DataValue>
           <DataValue>
             <Real Name="Value">0.000000</Real>
           </DataValue>
-        </Sequence>
+        </DataValues>
       </DataFrame>
       <DataFrame Name="Frame6">
         <Real Name="X">7.000000</Real>
-        <Sequence Name="Y">
-          <Int Name="Length">2</Int>
+        <DataValues>
+          <Int Name="Count">2</Int>
           <DataValue>
             <Real Name="Value">1.000000</Real>
           </DataValue>
           <DataValue>
             <Real Name="Value">0.000000</Real>
           </DataValue>
-        </Sequence>
+        </DataValues>
       </DataFrame>
       <DataFrame Name="Frame7">
         <Real Name="X">8.000000</Real>
-        <Sequence Name="Y">
-          <Int Name="Length">2</Int>
+        <DataValues>
+          <Int Name="Count">2</Int>
           <DataValue>
             <Real Name="Value">0.500000</Real>
           </DataValue>
           <DataValue>
             <Real Name="Value">0.707107</Real>
           </DataValue>
-        </Sequence>
+        </DataValues>
       </DataFrame>
       <DataFrame Name="Frame8">
         <Real Name="X">9.000000</Real>
-        <Sequence Name="Y">
-          <Int Name="Length">2</Int>
+        <DataValues>
+          <Int Name="Count">2</Int>
           <DataValue>
             <Real Name="Value">0.000000</Real>
           </DataValue>
           <DataValue>
             <Real Name="Value">0.000000</Real>
           </DataValue>
-        </Sequence>
+        </DataValues>
       </DataFrame>
     </AnalysisData>
   </OutputData>

diff --git a/src/gromacs/trajectoryanalysis/tests/refdata/SelectModuleTest_HandlesSelectedPDBOutput.xml b/src/gromacs/trajectoryanalysis/tests/refdata/SelectModuleTest_HandlesSelectedPDBOutput.xml
index a37d3db5cb6f037a0e2f8ac415a9106d1b0c03ae..af440d331b54f8548e6dd0625dbcda9d1de4a827 100644 (file)
--- a/src/gromacs/trajectoryanalysis/tests/refdata/SelectModuleTest_HandlesSelectedPDBOutput.xml
+++ b/src/gromacs/trajectoryanalysis/tests/refdata/SelectModuleTest_HandlesSelectedPDBOutput.xml
@@ -6,111 +6,111 @@
     <AnalysisData Name="occupancy">
       <DataFrame Name="Frame0">
         <Real Name="X">1.000000</Real>
-        <Sequence Name="Y">
-          <Int Name="Length">2</Int>
+        <DataValues>
+          <Int Name="Count">2</Int>
           <DataValue>
             <Real Name="Value">1.000000</Real>
           </DataValue>
           <DataValue>
             <Real Name="Value">0.000000</Real>
           </DataValue>
-        </Sequence>
+        </DataValues>
       </DataFrame>
       <DataFrame Name="Frame1">
         <Real Name="X">2.000000</Real>
-        <Sequence Name="Y">
-          <Int Name="Length">2</Int>
+        <DataValues>
+          <Int Name="Count">2</Int>
           <DataValue>
             <Real Name="Value">0.500000</Real>
           </DataValue>
           <DataValue>
             <Real Name="Value">0.707107</Real>
           </DataValue>
-        </Sequence>
+        </DataValues>
       </DataFrame>
       <DataFrame Name="Frame2">
         <Real Name="X">3.000000</Real>
-        <Sequence Name="Y">
-          <Int Name="Length">2</Int>
+        <DataValues>
+          <Int Name="Count">2</Int>
           <DataValue>
             <Real Name="Value">0.500000</Real>
           </DataValue>
           <DataValue>
             <Real Name="Value">0.707107</Real>
           </DataValue>
-        </Sequence>
+        </DataValues>
       </DataFrame>
       <DataFrame Name="Frame3">
         <Real Name="X">4.000000</Real>
-        <Sequence Name="Y">
-          <Int Name="Length">2</Int>
+        <DataValues>
+          <Int Name="Count">2</Int>
           <DataValue>
             <Real Name="Value">0.500000</Real>
           </DataValue>
           <DataValue>
             <Real Name="Value">0.707107</Real>
           </DataValue>
-        </Sequence>
+        </DataValues>
       </DataFrame>
       <DataFrame Name="Frame4">
         <Real Name="X">5.000000</Real>
-        <Sequence Name="Y">
-          <Int Name="Length">2</Int>
+        <DataValues>
+          <Int Name="Count">2</Int>
           <DataValue>
             <Real Name="Value">0.500000</Real>
           </DataValue>
           <DataValue>
             <Real Name="Value">0.707107</Real>
           </DataValue>
-        </Sequence>
+        </DataValues>
       </DataFrame>
       <DataFrame Name="Frame5">
         <Real Name="X">6.000000</Real>
-        <Sequence Name="Y">
-          <Int Name="Length">2</Int>
+        <DataValues>
+          <Int Name="Count">2</Int>
           <DataValue>
             <Real Name="Value">1.000000</Real>
           </DataValue>
           <DataValue>
             <Real Name="Value">0.000000</Real>
           </DataValue>
-        </Sequence>
+        </DataValues>
       </DataFrame>
       <DataFrame Name="Frame6">
         <Real Name="X">7.000000</Real>
-        <Sequence Name="Y">
-          <Int Name="Length">2</Int>
+        <DataValues>
+          <Int Name="Count">2</Int>
           <DataValue>
             <Real Name="Value">1.000000</Real>
           </DataValue>
           <DataValue>
             <Real Name="Value">0.000000</Real>
           </DataValue>
-        </Sequence>
+        </DataValues>
       </DataFrame>
       <DataFrame Name="Frame7">
         <Real Name="X">8.000000</Real>
-        <Sequence Name="Y">
-          <Int Name="Length">2</Int>
+        <DataValues>
+          <Int Name="Count">2</Int>
           <DataValue>
             <Real Name="Value">0.500000</Real>
           </DataValue>
           <DataValue>
             <Real Name="Value">0.707107</Real>
           </DataValue>
-        </Sequence>
+        </DataValues>
       </DataFrame>
       <DataFrame Name="Frame8">
         <Real Name="X">9.000000</Real>
-        <Sequence Name="Y">
-          <Int Name="Length">2</Int>
+        <DataValues>
+          <Int Name="Count">2</Int>
           <DataValue>
             <Real Name="Value">0.000000</Real>
           </DataValue>
           <DataValue>
             <Real Name="Value">0.000000</Real>
           </DataValue>
-        </Sequence>
+        </DataValues>
       </DataFrame>
     </AnalysisData>
   </OutputData>

diff --git a/src/gromacs/trajectoryanalysis/tests/refdata/SelectModuleTest_NormalizesSizes.xml b/src/gromacs/trajectoryanalysis/tests/refdata/SelectModuleTest_NormalizesSizes.xml
index 204ee84937b0ec925ca3c62c468042bfdb29c218..1ce1a971b5c1046d3efe3b3fcfa8ca67edfd868b 100644 (file)
--- a/src/gromacs/trajectoryanalysis/tests/refdata/SelectModuleTest_NormalizesSizes.xml
+++ b/src/gromacs/trajectoryanalysis/tests/refdata/SelectModuleTest_NormalizesSizes.xml
@@ -6,8 +6,8 @@
     <AnalysisData Name="size">
       <DataFrame Name="Frame0">
         <Real Name="X">0.000000</Real>
-        <Sequence Name="Y">
-          <Int Name="Length">3</Int>
+        <DataValues>
+          <Int Name="Count">3</Int>
           <DataValue>
             <Real Name="Value">0.533333</Real>
           </DataValue>
@@ -17,7 +17,7 @@
           <DataValue>
             <Real Name="Value">1.000000</Real>
           </DataValue>
-        </Sequence>
+        </DataValues>
       </DataFrame>
     </AnalysisData>
   </OutputData>

diff --git a/src/gromacs/trajectoryanalysis/tests/refdata/SelectModuleTest_WritesResidueIndices.xml b/src/gromacs/trajectoryanalysis/tests/refdata/SelectModuleTest_WritesResidueIndices.xml
index 9b9db73e86a5dfe415520290470fc1a4799d85a1..ffc47bb6d3205a9994bb8fabde754f0188a447b9 100644 (file)
--- a/src/gromacs/trajectoryanalysis/tests/refdata/SelectModuleTest_WritesResidueIndices.xml
+++ b/src/gromacs/trajectoryanalysis/tests/refdata/SelectModuleTest_WritesResidueIndices.xml
@@ -6,38 +6,38 @@
     <AnalysisData Name="index">
       <DataFrame Name="Frame0">
         <Real Name="X">0.000000</Real>
-        <Sequence Name="Y">
-          <Int Name="Length">1</Int>
+        <DataValues>
+          <Int Name="Count">1</Int>
           <Int Name="FirstColumn">0</Int>
           <Int Name="LastColumn">0</Int>
           <DataValue>
             <Real Name="Value">3.000000</Real>
           </DataValue>
-        </Sequence>
-        <Sequence Name="Y">
-          <Int Name="Length">1</Int>
+        </DataValues>
+        <DataValues>
+          <Int Name="Count">1</Int>
           <Int Name="FirstColumn">1</Int>
           <Int Name="LastColumn">1</Int>
           <DataValue>
             <Real Name="Value">1.000000</Real>
           </DataValue>
-        </Sequence>
-        <Sequence Name="Y">
-          <Int Name="Length">1</Int>
+        </DataValues>
+        <DataValues>
+          <Int Name="Count">1</Int>
           <Int Name="FirstColumn">1</Int>
           <Int Name="LastColumn">1</Int>
           <DataValue>
             <Real Name="Value">3.000000</Real>
           </DataValue>
-        </Sequence>
-        <Sequence Name="Y">
-          <Int Name="Length">1</Int>
+        </DataValues>
+        <DataValues>
+          <Int Name="Count">1</Int>
           <Int Name="FirstColumn">1</Int>
           <Int Name="LastColumn">1</Int>
           <DataValue>
             <Real Name="Value">5.000000</Real>
           </DataValue>
-        </Sequence>
+        </DataValues>
       </DataFrame>
     </AnalysisData>
   </OutputData>

diff --git a/src/gromacs/trajectoryanalysis/tests/refdata/SelectModuleTest_WritesResidueNumbers.xml b/src/gromacs/trajectoryanalysis/tests/refdata/SelectModuleTest_WritesResidueNumbers.xml
index 4807e08e73ec411748ee0c92fb73c93cd269f59a..dee8f8eb3677c7f8f8a50065e82285e7450c67cd 100644 (file)
--- a/src/gromacs/trajectoryanalysis/tests/refdata/SelectModuleTest_WritesResidueNumbers.xml
+++ b/src/gromacs/trajectoryanalysis/tests/refdata/SelectModuleTest_WritesResidueNumbers.xml
@@ -6,38 +6,38 @@
     <AnalysisData Name="index">
       <DataFrame Name="Frame0">
         <Real Name="X">0.000000</Real>
-        <Sequence Name="Y">
-          <Int Name="Length">1</Int>
+        <DataValues>
+          <Int Name="Count">1</Int>
           <Int Name="FirstColumn">0</Int>
           <Int Name="LastColumn">0</Int>
           <DataValue>
             <Real Name="Value">3.000000</Real>
           </DataValue>
-        </Sequence>
-        <Sequence Name="Y">
-          <Int Name="Length">1</Int>
+        </DataValues>
+        <DataValues>
+          <Int Name="Count">1</Int>
           <Int Name="FirstColumn">1</Int>
           <Int Name="LastColumn">1</Int>
           <DataValue>
             <Real Name="Value">2.000000</Real>
           </DataValue>
-        </Sequence>
-        <Sequence Name="Y">
-          <Int Name="Length">1</Int>
+        </DataValues>
+        <DataValues>
+          <Int Name="Count">1</Int>
           <Int Name="FirstColumn">1</Int>
           <Int Name="LastColumn">1</Int>
           <DataValue>
             <Real Name="Value">4.000000</Real>
           </DataValue>
-        </Sequence>
-        <Sequence Name="Y">
-          <Int Name="Length">1</Int>
+        </DataValues>
+        <DataValues>
+          <Int Name="Count">1</Int>
           <Int Name="FirstColumn">1</Int>
           <Int Name="LastColumn">1</Int>
           <DataValue>
             <Real Name="Value">1.000000</Real>
           </DataValue>
-        </Sequence>
+        </DataValues>
       </DataFrame>
     </AnalysisData>
   </OutputData>

diff --git a/src/gromacs/trajectoryanalysis/tests/refdata/analysisdata-referencedata.xsl b/src/gromacs/trajectoryanalysis/tests/refdata/analysisdata-referencedata.xsl
index 099384f36dcf2dd21986f415edfb29cea1928da9..abad36c26ad0cb0afb66fb9e89ea03b97c6a1cc7 100644 (file)
--- a/src/gromacs/trajectoryanalysis/tests/refdata/analysisdata-referencedata.xsl
+++ b/src/gromacs/trajectoryanalysis/tests/refdata/analysisdata-referencedata.xsl
@@ -14,7 +14,7 @@ and use the copy_xsl.sh script to copy it to relevant locations.
 
 <xsl:template match="AnalysisData">
     <xsl:variable name="has-columnspec"
-                  select="DataFrame/Sequence[@Name='Y']/Int[@Name='FirstColumn']"/>
+                  select="DataFrame/DataValues/Int[@Name='FirstColumn']"/>
     <table border="1">
         <tr>
             <th>Frame</th>
@@ -24,7 +24,7 @@ and use the copy_xsl.sh script to copy it to relevant locations.
             </xsl:if>
             <th>Values</th>
         </tr>
-        <xsl:for-each select="DataFrame/Sequence[@Name='Y']">
+        <xsl:for-each select="DataFrame/DataValues">
         <tr>
             <td><xsl:value-of select="../@Name"/></td>
             <td><xsl:value-of select="../Real[@Name='X']"/></td>

diff --git a/src/testutils/analysisdata-referencedata.xsl b/src/testutils/analysisdata-referencedata.xsl
index 099384f36dcf2dd21986f415edfb29cea1928da9..abad36c26ad0cb0afb66fb9e89ea03b97c6a1cc7 100644 (file)
--- a/src/testutils/analysisdata-referencedata.xsl
+++ b/src/testutils/analysisdata-referencedata.xsl
@@ -14,7 +14,7 @@ and use the copy_xsl.sh script to copy it to relevant locations.
 
 <xsl:template match="AnalysisData">
     <xsl:variable name="has-columnspec"
-                  select="DataFrame/Sequence[@Name='Y']/Int[@Name='FirstColumn']"/>
+                  select="DataFrame/DataValues/Int[@Name='FirstColumn']"/>
     <table border="1">
         <tr>
             <th>Frame</th>
@@ -24,7 +24,7 @@ and use the copy_xsl.sh script to copy it to relevant locations.
             </xsl:if>
             <th>Values</th>
         </tr>
-        <xsl:for-each select="DataFrame/Sequence[@Name='Y']">
+        <xsl:for-each select="DataFrame/DataValues">
         <tr>
             <td><xsl:value-of select="../@Name"/></td>
             <td><xsl:value-of select="../Real[@Name='X']"/></td>

diff --git a/src/testutils/mock_datamodule.cpp b/src/testutils/mock_datamodule.cpp
index 8266ec3ec1d3f226caf1451167da8cde9bf50163..c3c5d1c92d95a095ca7aa66972a566d12834c6ca 100644 (file)
--- a/src/testutils/mock_datamodule.cpp
+++ b/src/testutils/mock_datamodule.cpp
@@ -184,8 +184,8 @@ MockAnalysisDataModule::Impl::checkReferencePoints(
     if (frameChecker_.get() != NULL)
     {
         TestReferenceChecker checker(
-                frameChecker_->checkSequenceCompound("Y",
-                                                     points.columnCount()));
+                frameChecker_->checkCompound("DataValues", NULL));
+        checker.checkInteger(points.columnCount(), "Count");
         bool bAllColumns = (points.firstColumn() == 0
                             && points.columnCount() == columnCount_);
         if (checker.checkPresent(!bAllColumns, "FirstColumn"))

diff --git a/src/testutils/refdata.cpp b/src/testutils/refdata.cpp
index 6130a23945b1d4be467255c9f9ff12b219f5d4eb..d94195b5b4e340e7bb407583815efe00a0988787 100644 (file)
--- a/src/testutils/refdata.cpp
+++ b/src/testutils/refdata.cpp
@@ -1,7 +1,7 @@
 /*
  * This file is part of the GROMACS molecular simulation package.
  *
- * Copyright (c) 2011,2012, by the GROMACS development team, led by
+ * Copyright (c) 2011,2012,2013, by the GROMACS development team, led by
  * David van der Spoel, Berk Hess, Erik Lindahl, and including many
  * others, as listed in the AUTHORS file in the top-level source
  * directory and at http://www.gromacs.org.
@@ -323,6 +323,8 @@ class TestReferenceChecker::Impl
          * \param[in]  name   Type of node to find.
          * \param[in]  id     Unique identifier of the node (can be NULL, in
          *      which case the next node without an id is matched).
+         * \param[out] bFound Whether the node was found (false if the node was
+         *      created in write mode).
          * \returns Matching node, or NULL if no matching node found
          *      (NULL is never returned in write mode).
          * \throws  TestException if node creation fails in write mode.
@@ -332,7 +334,8 @@ class TestReferenceChecker::Impl
          * read mode and creates a new node in write mode.  If the creation
          * fails in write mode, throws.
          */
-        xmlNodePtr findOrCreateNode(const xmlChar *name, const char *id);
+        xmlNodePtr findOrCreateNode(const xmlChar *name, const char *id,
+                                    bool *bFound);
         /*! \brief
          * Helper method for checking a reference data value.
          *
@@ -389,16 +392,18 @@ class TestReferenceChecker::Impl
          */
         xmlNodePtr              currNode_;
         /*! \brief
-         * Points to a child of \a currNode_ where the next search should start.
+         * Points to a child of \a currNode_ that was last found.
          *
-         * On initialization, points to the first child of \a currNode_.  After
-         * every check, is updated to point to the node following the one
-         * found, with possible wrapping.
+         * On initialization, is initialized to NULL.  After every check, is
+         * updated to point to the node that was used for the check.
+         * Subsequent checks start the search for the matching node on this
+         * node.
          *
-         * Is NULL if and only if \a currNode_ contains no children.
+         * Is NULL if \a currNode_ contains no children or if no checks have
+         * yet been made.
          * Otherwise, always points to a direct child of \a currNode_.
          */
-        xmlNodePtr              nextSearchNode_;
+        xmlNodePtr              prevFoundNode_;
         /*! \brief
          * Whether the reference data is being written (true) or compared
          * (false).
@@ -431,15 +436,14 @@ const char * const    TestReferenceChecker::Impl::cSequenceLengthName =
 
 
 TestReferenceChecker::Impl::Impl(bool bWrite)
-    : currNode_(NULL), nextSearchNode_(NULL), bWrite_(bWrite), seqIndex_(0)
+    : currNode_(NULL), prevFoundNode_(NULL), bWrite_(bWrite), seqIndex_(0)
 {
 }
 
 
 TestReferenceChecker::Impl::Impl(const std::string &path, xmlNodePtr rootNode,
                                  bool bWrite)
-    : path_(path + "/"), currNode_(rootNode),
-      nextSearchNode_(rootNode->xmlChildrenNode),
+    : path_(path + "/"), currNode_(rootNode), prevFoundNode_(NULL),
       bWrite_(bWrite), seqIndex_(0)
 {
 }
@@ -463,12 +467,41 @@ TestReferenceChecker::Impl::appendPath(const char *id) const
 xmlNodePtr
 TestReferenceChecker::Impl::findNode(const xmlChar *name, const char *id) const
 {
-    const xmlChar *xmlId = reinterpret_cast<const xmlChar *>(id);
-    xmlNodePtr     node  = nextSearchNode_;
-    if (node == NULL)
+    if (currNode_ == NULL || currNode_->children == NULL)
     {
         return NULL;
     }
+    const xmlChar *xmlId = reinterpret_cast<const xmlChar *>(id);
+    xmlNodePtr     node  = prevFoundNode_;
+    bool           bWrap = true;
+    if (node != NULL)
+    {
+        if (id == NULL)
+        {
+            xmlChar *refId = xmlGetProp(node, cIdAttrName);
+            if (refId == NULL)
+            {
+                if (name == NULL || xmlStrcmp(node->name, name) == 0)
+                {
+                    bWrap = false;
+                    node  = node->next;
+                    if (node == NULL)
+                    {
+                        return NULL;
+                    }
+                }
+            }
+            else
+            {
+                xmlFree(refId);
+            }
+        }
+    }
+    else
+    {
+        node  = currNode_->children;
+        bWrap = false;
+    }
     do
     {
         if (name == NULL || xmlStrcmp(node->name, name) == 0)
@@ -489,20 +522,28 @@ TestReferenceChecker::Impl::findNode(const xmlChar *name, const char *id) const
             }
         }
         node = node->next;
-        if (node == NULL && nextSearchNode_ != currNode_->xmlChildrenNode)
+        if (bWrap && node == NULL)
         {
-            node = currNode_->xmlChildrenNode;
+            node = currNode_->children;
         }
     }
-    while (node != NULL && node != nextSearchNode_);
+    while (node != NULL && node != prevFoundNode_);
     return NULL;
 }
 
 
 xmlNodePtr
-TestReferenceChecker::Impl::findOrCreateNode(const xmlChar *name, const char *id)
+TestReferenceChecker::Impl::findOrCreateNode(const xmlChar *name,
+                                             const char    *id,
+                                             bool          *bFound)
 {
+    *bFound = false;
     xmlNodePtr node = findNode(name, id);
+    if (node != NULL)
+    {
+        *bFound        = true;
+        prevFoundNode_ = node;
+    }
     if (node == NULL)
     {
         if (bWrite_)
@@ -522,25 +563,13 @@ TestReferenceChecker::Impl::findOrCreateNode(const xmlChar *name, const char *id
             {
                 GMX_THROW(TestException("XML node creation failed"));
             }
+            prevFoundNode_ = node;
         }
         else
         {
-            node = NULL;
-        }
-    }
-    else
-    {
-        nextSearchNode_ = node->next;
-        if (nextSearchNode_ == NULL)
-        {
-            nextSearchNode_ = currNode_->xmlChildrenNode;
+            ADD_FAILURE() << "Reference data item not found";
         }
     }
-    if (node == NULL)
-    {
-        GMX_RELEASE_ASSERT(!bWrite_, "Node creation failed without exception");
-        ADD_FAILURE() << "Reference data item not found";
-    }
     seqIndex_ = (id == NULL) ? seqIndex_+1 : 0;
 
     return node;
@@ -551,16 +580,15 @@ std::string
 TestReferenceChecker::Impl::processItem(const xmlChar *name, const char *id,
                                         const char *value, bool *bFound)
 {
-    *bFound = false;
-    xmlNodePtr node = findOrCreateNode(name, id);
+    xmlNodePtr node = findOrCreateNode(name, id, bFound);
     if (node == NULL)
     {
         return std::string();
     }
-    *bFound = true;
-    if (bWrite_)
+    if (bWrite_ && !*bFound)
     {
         xmlNodeAddContent(node, reinterpret_cast<const xmlChar *>(value));
+        *bFound = true;
         return std::string(value);
     }
     else
@@ -678,14 +706,14 @@ bool TestReferenceChecker::checkPresent(bool bPresent, const char *id)
     bool       bFound = (node != NULL);
     if (bFound != bPresent)
     {
-        ADD_FAILURE() << "Mismatch while checking reference data item'"
+        ADD_FAILURE() << "Mismatch while checking reference data item '"
         << impl_->appendPath(id) << "'\n"
         << "Expected: " << (bPresent ? "it is present.\n" : "it is absent.\n")
         << "  Actual: " << (bFound ? "it is present." : "it is absent.");
     }
     if (bFound && bPresent)
     {
-        impl_->nextSearchNode_ = node;
+        impl_->prevFoundNode_ = node;
         return true;
     }
     return false;
@@ -700,7 +728,8 @@ TestReferenceChecker TestReferenceChecker::checkCompound(const char *type, const
         return TestReferenceChecker(new Impl(isWriteMode()));
     }
     const xmlChar *xmlNodeName = reinterpret_cast<const xmlChar *>(type);
-    xmlNodePtr     newNode     = impl_->findOrCreateNode(xmlNodeName, id);
+    bool           bFound;
+    xmlNodePtr     newNode     = impl_->findOrCreateNode(xmlNodeName, id, &bFound);
     if (newNode == NULL)
     {
         return TestReferenceChecker(new Impl(isWriteMode()));
@@ -759,7 +788,8 @@ void TestReferenceChecker::checkStringBlock(const std::string &value,
         return;
     }
     SCOPED_TRACE(impl_->traceString(id));
-    xmlNodePtr node = impl_->findOrCreateNode(Impl::cStringNodeName, id);
+    bool       bFound;
+    xmlNodePtr node = impl_->findOrCreateNode(Impl::cStringNodeName, id, &bFound);
     if (node == NULL)
     {
         return;
@@ -767,7 +797,7 @@ void TestReferenceChecker::checkStringBlock(const std::string &value,
     // An extra newline is written in the beginning to make lines align
     // in the output xml (otherwise, the first line would be off by the length
     // of the starting CDATA tag).
-    if (isWriteMode())
+    if (isWriteMode() && !bFound)
     {
         std::string    adjustedValue = "\n" + value;
         const xmlChar *xmlValue

diff --git a/src/testutils/tests/refdata.cpp b/src/testutils/tests/refdata.cpp
index accca1c3b3783b61e0188e4e7d4f57f62dd4e349..226a654cda7336039e3bedc61d02b4f451b3bfa6 100644 (file)
--- a/src/testutils/tests/refdata.cpp
+++ b/src/testutils/tests/refdata.cpp
@@ -1,7 +1,7 @@
 /*
  * This file is part of the GROMACS molecular simulation package.
  *
- * Copyright (c) 2011,2012, by the GROMACS development team, led by
+ * Copyright (c) 2011,2012,2013, by the GROMACS development team, led by
  * David van der Spoel, Berk Hess, Erik Lindahl, and including many
  * others, as listed in the AUTHORS file in the top-level source
  * directory and at http://www.gromacs.org.
@@ -250,6 +250,7 @@ TEST(ReferenceDataTest, HandlesSpecialCharactersInStrings)
     }
 }
 
+
 TEST(ReferenceDataTest, HandlesSequenceItemIndices)
 {
     using gmx::test::TestReferenceData;
@@ -274,4 +275,49 @@ TEST(ReferenceDataTest, HandlesSequenceItemIndices)
     }
 }
 
+
+TEST(ReferenceDataTest, HandlesMultipleChecksAgainstSameData)
+{
+    using gmx::test::TestReferenceData;
+    using gmx::test::TestReferenceChecker;
+
+    {
+        TestReferenceData    data(gmx::test::erefdataUpdateAll);
+        TestReferenceChecker checker(data.rootChecker());
+        checker.checkString("Test", "string");
+        EXPECT_NONFATAL_FAILURE(checker.checkString("Test2", "string"), "");
+        checker.checkStringBlock("TestString", "stringblock");
+        EXPECT_NONFATAL_FAILURE(checker.checkStringBlock("TestString2", "stringblock"), "");
+    }
+    {
+        TestReferenceData    data(gmx::test::erefdataCompare);
+        TestReferenceChecker checker(data.rootChecker());
+        checker.checkString("Test", "string");
+        EXPECT_NONFATAL_FAILURE(checker.checkString("Test2", "string"), "");
+        checker.checkStringBlock("TestString", "stringblock");
+        EXPECT_NONFATAL_FAILURE(checker.checkStringBlock("TestString2", "stringblock"), "");
+    }
+}
+
+
+TEST(ReferenceDataTest, HandlesMultipleNullIds)
+{
+    using gmx::test::TestReferenceData;
+    using gmx::test::TestReferenceChecker;
+
+    {
+        TestReferenceData    data(gmx::test::erefdataUpdateAll);
+        TestReferenceChecker checker(data.rootChecker());
+        checker.checkString("Test", NULL);
+        checker.checkString("Test2", NULL);
+    }
+    {
+        TestReferenceData    data(gmx::test::erefdataCompare);
+        TestReferenceChecker checker(data.rootChecker());
+        checker.checkString("Test", NULL);
+        checker.checkString("Test2", NULL);
+        EXPECT_NONFATAL_FAILURE(checker.checkString("Test", NULL), "");
+    }
+}
+
 } // namespace