Merge remote-tracking branch 'origin/feature/7426_gss_specid'

Code/Mantid/Framework/DataHandling/inc/MantidDataHandling/SaveGSS.h

@@ -87,6 +87,9 @@ private:
                      const MantidVec& X, const MantidVec& Y, const MantidVec& E) const;
   /// sets non workspace properties for the algorithm
   void setOtherProperties(IAlgorithm* alg,const std::string & propertyName,const std::string &propertyValue,int periodNum);
+
+  bool m_useSpecAsBank;
+
 };
 
 }

Code/Mantid/Framework/DataHandling/src/LoadGSS.cpp

@@ -90,6 +90,8 @@ namespace Mantid
           "The input filename of the stored data");
       declareProperty(new API::WorkspaceProperty<>("OutputWorkspace", "", Kernel::Direction::Output),
                       "Workspace name to load into.");
+
+      declareProperty("UseBankIDasSpectrumNumber", false, "If true, spectrum number corresponding to one bank should be its bank ID. ");
     }
 
     /**
@@ -100,6 +102,8 @@ namespace Mantid
       using namespace Mantid::API;
       std::string filename = getPropertyValue("Filename");
 
+      bool m_useBankAsSpectrum = getProperty("UseBankIDasSpectrumNumber");
+
       std::vector<MantidVec*> gsasDataX;
       std::vector<MantidVec*> gsasDataY;
       std::vector<MantidVec*> gsasDataE;
@@ -408,6 +412,10 @@ namespace Mantid
       }
 
       // 2.2 Put data from MatidVec's into outputWorkspace
+      if (detectorIDs.size() != static_cast<size_t>(nHist))
+      {
+        throw std::runtime_error("It seems not possible to have mismatch spectrum numbers and nHist.");
+      }
       for (int i = 0; i < nHist; ++i)
       {
         // Move data across
@@ -418,6 +426,13 @@ namespace Mantid
         delete gsasDataX[i];
         delete gsasDataY[i];
         delete gsasDataE[i];
+
+        // Reset spectrum number if
+        if (m_useBankAsSpectrum)
+        {
+          specid_t specno = static_cast<specid_t>(detectorIDs[i]);
+          outputWorkspace->getSpectrum(i)->setSpectrumNo(specno);
+        }
       }
 
       // 2.3 Build instrument geometry

Code/Mantid/Framework/DataHandling/src/SaveGSS.cpp

@@ -76,6 +76,9 @@ namespace Mantid
       declareProperty("MultiplyByBinWidth", true,
           "Multiply the intensity (Y) by the bin width; default TRUE.");
       declareProperty("ExtendedHeader", false, "Add information to the header about iparm file and normalization");
+
+      declareProperty("UseSpectrumNumberAsBankID", false, "If true, then each bank's bank ID is equal to the spectrum number; "
+                      "otherwise, the continous bank IDs is applied. ");
     }
 
     /**
@@ -133,6 +136,8 @@ namespace Mantid
       bool split = (split_string == "True");
       std::string outputFormat = getProperty("Format");
 
+      m_useSpecAsBank = getProperty("UseSpectrumNumberAsBankID");
+
       std::ostringstream number;
       std::ofstream out;
       // Check whether to append to an already existing file or overwrite
@@ -210,14 +215,25 @@ namespace Mantid
                 / (PhysicalConstants::h * 1e4)) << "\n";
           }
           out << "# Data for spectrum :" << i << std::endl;
+
+          int bankid;
+          if (m_useSpecAsBank)
+          {
+            bankid = static_cast<int>(inputWS->getSpectrum(i)->getSpectrumNo());
+          }
+          else
+          {
+            bankid = bank + i;
+          }
+
           if (RALF.compare(outputFormat) == 0)
           {
-            this->writeRALFdata(bank + i, MultiplyByBinWidth, out, inputWS->readX(i), inputWS->readY(i),
+            this->writeRALFdata(bankid, MultiplyByBinWidth, out, inputWS->readX(i), inputWS->readY(i),
                 inputWS->readE(i));
           }
           else if (SLOG.compare(outputFormat) == 0)
           {
-            this->writeSLOGdata(bank + i, MultiplyByBinWidth, out, inputWS->readX(i), inputWS->readY(i),
+            this->writeSLOGdata(bankid, MultiplyByBinWidth, out, inputWS->readX(i), inputWS->readY(i),
                 inputWS->readE(i));
           }
           else

Code/Mantid/Framework/DataHandling/test/LoadGSSTest.h

@@ -9,6 +9,7 @@
 //#include <fstream>
 
 using namespace Mantid;
+using Mantid::DataHandling::LoadGSS;
 
 class LoadGSSTest : public CxxTest::TestSuite
 {
@@ -41,6 +42,38 @@ public:
 	checkWorkspace( loader->getProperty("OutputWorkspace"), 1, 6);
   }
 
+  /** Test LoadGSS with setting spectrum ID as bank ID
+    */
+  void test_load_gss_use_spec()
+  {
+    // Set property and execute
+    LoadGSS loader;
+    loader.initialize();
+
+    loader.setPropertyValue("Filename","gss1.txt");
+    loader.setProperty("OutputWorkspace", "TestWS");
+    loader.setProperty("UseBankIDasSpectrumNumber", true);
+
+    TS_ASSERT( loader.execute() );
+
+    // Check result
+    API::MatrixWorkspace_sptr outws = boost::dynamic_pointer_cast<API::MatrixWorkspace>(
+          API::AnalysisDataService::Instance().retrieve("TestWS"));
+    TS_ASSERT(outws);
+    if (!outws)
+      return;
+
+    TS_ASSERT_EQUALS(outws->getNumberHistograms(), 3);
+    if (outws->getNumberHistograms() != 3)
+      return;
+
+    TS_ASSERT_EQUALS(outws->getSpectrum(0)->getSpectrumNo(), 1);
+    TS_ASSERT_EQUALS(outws->getSpectrum(1)->getSpectrumNo(), 3);
+    TS_ASSERT_EQUALS(outws->getSpectrum(2)->getSpectrumNo(), 5);
+
+    API::AnalysisDataService::Instance().remove("TestWS");
+  }
+
   void test_fails_gracefully_if_passed_wrong_filetype()
   {
     API::IAlgorithm_sptr loader = createAlgorithm();

Test/AutoTestData/gss1.txt

+direct beam                                                                     
+# File generated by Mantid:
+# Instrument: LOQ
+# Data for spectrum :0
+BANK 1 102 102 RALF   112000     2800   112000 0.02500 FXYE
+     3543.75000  9750125.00000000    29208.49084599
+     3632.34375 11058917.18750000    31493.59673416
+     3723.15625 12247976.12500000    33555.21744347
+     3816.23438 13600981.79062500    35799.37167451
+     3911.64063 14832149.32500000    37848.94033979
+     4009.43750 16219607.00468750    40071.38318461
+     4109.67188 17438717.60156250    42066.21709427
+     4212.40625 18413438.01171875    43762.82171774
+     4317.71875 19460298.09140625    45548.49525721
+     4425.67188 20319612.97187500    47121.56175467
+     4536.31250 20983767.60937500    48480.36621081
+     4649.71875 22083741.96562500    50352.61767662
+     4765.96875 22974182.66562500    51995.75693745
+     4885.12500 23784757.56093750    53562.34581996
+     5007.25000 24531348.17500000    55072.28186443
+     5132.42188 25432753.82812500    56771.51986293
+     5260.73438 26307929.09765625    58457.30166795
+     5392.26563 27015082.41250000    59973.72064407
+     5527.07813 28018607.31562500    61836.31607490
+     5665.25000 28819636.21093750    63493.08441407
+     5806.87500 29737950.84531250    65297.91803030
+     5952.04688 30638185.96562500    67102.25239989
+     6100.84375 31633285.87109375    69030.31083453
+     6253.35938 32492603.62734375    70830.67784721
+     6409.68750 33256502.24531250    72548.66745767
+     6569.92188 34779710.55937500    75113.08484945
+     6734.17188 36490384.12578125    77893.94795892
+     6902.53125 37730927.32968750    80190.94751299
+     7075.09375 38961073.59375000    82500.03666737
+     7251.96875 40382538.86875001    85034.90617663
+     7433.26563 39518560.35000000    85165.35545771
+     7619.09375 42296695.65000001    89202.57234772
+     7809.57813 45219342.66015625    93378.77910158
+     8004.82813 46485303.50000000    95853.11803366
+     8204.95313 47507887.35703126    98105.50294264
+     8410.07813 48171889.21875000   100015.96807801
+     8620.32813 48500744.03906250   101603.49253395
+     8835.82813 48650540.40625000   103024.40287260
+     9056.71875 49010930.32500000   104689.80095769
+     9283.14063 49135305.03515625   106124.75909197
+     9515.21875 49126973.06875000   107434.05083548
+     9753.09375 48899615.64218751   108516.67110994
+     9996.92188 48484562.26250000   109397.47774729
+    10246.84375 48272774.64453125   110514.37385799
+    10503.01563 47721011.92031250   111245.95057206
+    10765.59375 47089248.94843750   111879.98800930
+    11034.73438 46377476.90000001   112410.51240817
+    11310.60938 45590119.83984375   112836.80738567
+    11593.37500 45034692.01875000   113540.57449737
+    11883.20313 43616354.95000000   113126.40605432
+    12180.28125 42761504.75625000   113403.80211071
+    12484.79688 41740504.47187500   113433.66038618
+    12796.92188 40305255.71406250   112851.18606948
+    13116.84375 39021473.11562500   112418.80691746
+    13444.76563 37804026.27968750   112025.82239569
+    13780.89063 36520704.66875000   111475.80242705
+    14125.42188 34878624.45234375   110294.24052185
+    14478.56250 33760069.83593750   109859.30418504
+    14840.53125 32655026.51875000   109388.63382238
+    15211.54688 31488277.62500000   108751.09320929
+    15591.82813 30065678.73750000   107586.21216911
+    15981.60938 29059708.52812500   107084.95699290
+    16381.14063 28061099.47265625   106536.13209142
+    16790.67188 26996905.33125000   105794.58929308
+    17210.43750 26085082.84375000   105284.54575806
+    17640.68750 25285428.26796875   104945.89632329
+    18081.70313 24229031.01484375   104006.41725650
+    18533.75000 23792757.76250000   104346.17192250
+    18997.09375 22917531.96562500   103681.19716839
+    19472.01563 22062039.40937500   102991.36719361
+    19958.81250571519330.35546875   530707.57531090
+    20457.78125135172408.30703124   261303.84989548
+    20969.21875 23745444.62656250   110880.15159539
+    21493.45313 23589719.17968750   111888.87012149
+    22030.79688 40766223.15937500   148914.79158045
+    22581.56250 95503297.16015625   230759.02719161
+    23146.09375214529466.87031251   350150.58750342
+    23724.75000375589609.26484376   469061.75069007
+    24317.87500464349560.19921875   528029.07393210
+    24925.82813467145561.57187504   536195.70190540
+    25548.98438451622731.55625004   533761.42664924
+    26187.71875436878272.40937501   531497.81559745
+    26842.42188434663601.18671876   536735.04437242
+    27513.48438423956311.79062504   536668.17785271
+    28201.32813423754437.54296875   543205.72899490
+    28906.37500390671358.00000000   528049.99609935
+    29629.04688351279710.90625000   506941.46605346
+    30369.78125310543366.18359375   482563.46075609
+    31129.03125274770931.79453129   459558.34827305
+    31907.26563239121676.70781252   434036.96836127
+    32704.95313205941873.61406252   407804.09125305
+    33522.57813175814746.02421877   381477.42325787
+    34360.64063150088985.30937502   356843.29436708
+    35219.65625129209171.73046875   335205.93855536
+    36100.15625111719712.38125001   315567.22714250
+    37002.67188 97529893.21562500   298509.30632111
+    37927.75000 86284212.30000001   284260.59569750
+    38875.95313 76524187.90000001   271026.87683182
+    39847.859381317443881.20703120  1138520.94708903
+    40844.06250145304004.62500000   382803.35363185
+    41865.17188116963005.27656251   347714.78589192
+    42941.01563609793725.17578125   803808.07280802
+# Data for spectrum :1
+BANK 3 102 102 RALF   112000     2800   112000 0.02500 FXYE
+     3543.75000      525.00000000      214.33035249
+     3632.34375      807.18750000      269.06250000
+     3723.15625     2206.31250000      450.36165318
+     3816.23438     2261.47500000      461.62165134
+     3911.64063     2511.17343750      492.48162922
+     4009.43750     3860.93906250      618.24504403
+     4109.67188     5682.51250000      759.35767397
+     4212.40625     6864.67031250      844.98250385
+     4317.71875     6716.43984375      846.19188201
+     4425.67188     9397.71718750     1013.38190611
+     4536.31250     9408.65625000     1026.56855842
+     4649.71875    23650.40937500     1647.80210131
+     4765.96875    90259.12187500     3259.06799966
+     4885.12500   249322.18593750     5483.91465843
+     5007.25000   478841.98593750     7694.28865105
+     5132.42188   789506.48437500    10002.57181110
+     5260.73438  1146579.02734375    12203.86599803
+     5392.26563  1435272.78125000    13823.72445309
+     5527.07813  1668495.59218750    15089.77860616
+     5665.25000  1974166.13281250    16617.81908074
+     5806.87500  2315151.81406250    18219.37824448
+     5952.04688  2645940.98125000    19719.48872917
+     6100.84375  2970134.99140625    21152.21099994
+     6253.35938  3342381.35859375    22717.32242022
+     6409.68750  3685336.95937500    24150.70182980
+     6569.92188  4073838.70781250    25707.18553743
+     6734.17188  4377043.66562500    26977.70107083
+     6902.53125  4645316.73750000    28137.41986262
+     7075.09375  4792373.64375000    28934.36923847
+     7251.96875  4971447.86875000    29836.08747994
+     7433.26563  5185484.98750000    30850.13696717
+     7619.09375  5458469.54296875    32044.95041657
+     7809.57813  5688067.07656250    33118.32956310
+     8004.82813  5910723.25000000    34179.73742384
+     8204.95313  5978067.21562500    34800.93452582
+     8410.07813  6135411.56250000    35693.92885738
+     8620.32813  6179393.15625000    36266.64239153
+     8835.82813  6334529.65625000    37175.21239942
+     9056.71875  6424902.53671875    37904.53497154
+     9283.14063  6490861.69843750    38571.90309071
+     9515.21875  6573021.29375000    39297.45884384
+     9753.09375  6690383.10312500    40139.24815180
+     9996.92188  6731999.13750000    40764.07532500
+    10246.84375  6798340.91406250    41473.34896654
+    10503.01563  6750453.44531250    41840.40333714
+    10765.59375  6939689.31406250    42949.83929642
+    11034.73438  7225160.57500000    44368.74252406
+    11310.60938  7457738.73750000    45637.20148691
+    11593.37500  7724624.90625000    47023.63403991
+    11883.20313  7933874.00000000    48248.29328614
+    12180.28125  7577938.69453125    47739.36846656
+    12484.79688  8025099.35390625    49737.99893068
+    12796.92188  8876957.75312500    52961.14477423
+    13116.84375  9173369.11562500    54506.91169236
+    13444.76563  9186260.86875000    55222.80973057
+    13780.89063  9323023.48125000    56323.47242656
+    14125.42188  9616097.06484375    57912.53548556
+    14478.56250  9669890.70781250    58795.75325166
+    14840.53125  9503801.42500000    59012.75019523
+    15211.54688  9514165.28125000    59778.43270030
+    15591.82813  9286574.24843750    59792.79829369
+    15981.60938  9176210.07187500    60174.78029460
+    16381.14063  8910128.14453125    60032.51783947
+    16790.67188  8685542.65625000    60007.41848869
+    17210.43750  8349827.19921875    59567.21031747
+    17640.68750  8047204.82421875    59204.24292796
+    18081.70313  7782274.21953125    58944.78368639
+    18533.75000  7387872.77500000    58145.19528825
+    18997.09375  6958565.36718750    57131.54067855
+    19472.01563  6666162.01562500    56612.96849525
+    19958.81250  6286779.16328125    55661.37459465
+    20457.78125  5891336.65703125    54551.75200789
+    20969.21875  5499114.02421875    53359.28732705
+    21493.45313  5292163.77187500    52995.88396511
+    22030.79688  4807609.62187500    51138.99596579
+    22581.56250  4452192.70703125    49823.75939945
+    23146.09375  4113147.34921875    48484.00826498
+    23724.75000  3841064.98671875    47435.01728744
+    24317.87500  3502975.16406250    45862.09037504
+    24925.82813  3169579.57031250    44167.01456122
+    25548.98438  2829313.19531250    42247.38197391
+    26187.71875  1275115.22812500    28714.15081270
+    26842.42188    11267.18828125     2732.69455220
+    27513.48438     6114.10781250     2038.03593750
+    28201.32813     6963.28906250     2201.98534436
+    28906.37500     4996.16250000     1888.37192638
+    29629.04688     3657.90625000     1635.86540606
+    30369.78125    11997.93750000     2999.48437500
+    31129.03125     6917.56171875     2305.85390625
+    31907.26563     4727.00156250     1929.79030691
+    32704.95313     8075.29687500     2553.63309070
+    33522.57813     4138.58984375     1850.83364432
+    34360.64063     5938.87656250     2244.68435021
+    35219.65625     6087.34765625     2300.80114892
+    36100.15625      891.36171875      891.36171875
+    37002.67188     4568.23046875     2042.97477300
+    37927.75000        0.00000000        0.00000000
+    38875.95313        0.00000000        0.00000000
+    39847.85938    14758.46484375     3810.61923703
+    40844.06250        0.00000000        0.00000000
+    41865.17188        0.00000000        0.00000000
+    42941.01563     2119.10156250     1498.43108487
+# Data for spectrum :2
+BANK 5 102 102 RALF   112000     2800   112000 0.02500 FXYE
+     3543.75000        0.00000000        0.00000000
+     3632.34375        0.00000000        0.00000000
+     3723.15625       91.92968750       91.92968750
+     3816.23438      282.68437500      163.20790000
+     3911.64063      386.33437500      193.16718750
+     4009.43750      791.98750000      280.00986593
+     4109.67188     1014.73437500      320.88718451
+     4212.40625      936.09140625      312.03046875
+     4317.71875     1385.93203125      384.38838484
+     4425.67188     2404.06718750      512.54884654
+     4536.31250     2912.20312500      571.13002161
+     4649.71875     2870.19531250      574.03906250
+     4765.96875     3530.34375000      644.54963587
+     4885.12500     4583.57187500      743.55354342
+     5007.25000     7294.52031250      949.66565561
+     5132.42188    10898.48437500     1175.21379387
+     5260.73438    49619.71093750     2538.76526938
+     5392.26563   147654.68593750     4433.85474281
+     5527.07813   345681.28046875     6868.44250427
+     5665.25000   571840.93750000     8943.75305116
+     5806.87500   810525.37343750    10780.20754690
+     5952.04688   988480.28437500    12052.84523641
+     6100.84375  1134155.61953125    13070.85510578
+     6253.35938  1343468.38828125    14402.66527675
+     6409.68750  1584856.32187500    15837.48085962
+     6569.92188  1790750.02968750    17043.94406894
+     6734.17188  1940272.09140625    17961.63293902
+     6902.53125  2165348.88281250    19210.58302451
+     7075.09375  2338275.84375000    20210.94197901
+     7251.96875  2588504.91250000    21529.05284390
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+     7809.57813  3066365.26718750    24316.32909456
+     8004.82813  3141844.40000000    24919.58157072
+     8204.95313  3207629.73515625    25491.92457965
+     8410.07813  3408262.03125000    26603.51315948
+     8620.32813  3559664.20312500    27525.73673260
+     8835.82813  3611129.15000000    28068.40809066
+     9056.71875  3639905.97578125    28530.07961441
+     9283.14063  3690563.04140625    29084.80813725
+     9515.21875  3780244.93750000    29801.76037644
+     9753.09375  3768788.98437500    30126.22053126
+     9996.92188  3752917.35000000    30436.17479876
+    10246.84375  3749334.35078125    30799.57486054
+    10503.01563  3787826.47031250    31341.83547668
+    10765.59375  3701770.15312500    31368.68073214
+    11034.73438  3808208.36250000    32211.70549610
+    11310.60938  3796453.72968750    32561.50563747
+    11593.37500  3721617.50625000    32639.48944566
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