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Refs #5772. Updated test programs, eliminated warning
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@RuthFromDuluth
RuthFromDuluth committed Aug 20, 2012
1 parent 6f5e528 commit a0c71e8
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Showing 3 changed files with 39 additions and 114 deletions.
2 changes: 1 addition & 1 deletion Code/Mantid/Framework/Crystal/src/IntegratePeakTimeSlices.cpp
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Original file line number Diff line number Diff line change
Expand Up @@ -936,7 +936,7 @@ namespace Mantid
if(!done && isGoodFit(params, errs, names, chisq))
{

if( LastTableRow >=0 && LastTableRow < TabWS->rowCount())
if( LastTableRow >=0 && LastTableRow < (int) TabWS->rowCount())
TabWS->removeRow(LastTableRow);
else
LastTableRow =-1;
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141 changes: 33 additions & 108 deletions Code/Mantid/Framework/Crystal/test/IntegratePeakTimeSlicesTest.h
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Original file line number Diff line number Diff line change
Expand Up @@ -194,30 +194,30 @@ class IntegratePeakTimeSlicesTest: public CxxTest::TestSuite
TableWorkspace_sptr Twk = algP.getProperty("OutputWorkspace");


TS_ASSERT_LESS_THAN(fabs(intensity -60000), 1000.0);
TS_ASSERT_LESS_THAN(fabs(intensity -60000), 1500.0);
//Not sure why this reduced the error so much in the test
TS_ASSERT_LESS_THAN(fabs(sigma -460), 41.0);
TS_ASSERT_LESS_THAN(fabs(sigma -539), 21.0);


TS_ASSERT_EQUALS( Twk->rowCount(), 7);

if( Twk->rowCount() <5)
return;

TS_ASSERT_LESS_THAN(fabs(Twk->getRef<double> (std::string("Time"), 0) - 19250), 20);
TS_ASSERT_LESS_THAN(fabs(Twk->getRef<double> (std::string("Time"), 0) - 19200), 20);

TS_ASSERT_LESS_THAN(fabs(Twk->getRef<double> (std::string("Background"), 1) - 1.4 ), .5);
TS_ASSERT_LESS_THAN(fabs(Twk->getRef<double> (std::string("Background"), 1) - 1.2619 ), .5);

TS_ASSERT_LESS_THAN(fabs(Twk->getRef<double> ("Intensity", 2) - 11300), 120);
TS_ASSERT_LESS_THAN(fabs(Twk->getRef<double> ("Intensity", 2) - 11309.8 ), 120);


TS_ASSERT_LESS_THAN(fabs(Twk->getRef<double> ("NCells", 3) - 437), 5);
TS_ASSERT_LESS_THAN(fabs(Twk->getRef<double> ("NCells", 3) - 553), 5);


TS_ASSERT_LESS_THAN(fabs(Twk->getRef<double> ("ChiSqrOverDOF", 4) - 77), 3.5);
TS_ASSERT_LESS_THAN(fabs(Twk->getRef<double> ("ChiSqrOverDOF", 4) - 60.4183), 3.5);


TS_ASSERT_LESS_THAN(fabs(Twk->getRef<double> ("TotIntensity", 0) - 4361.8 ), 10);
TS_ASSERT_LESS_THAN(fabs(Twk->getRef<double> ("TotIntensity", 0) - 5298.4 ), 10);



Expand All @@ -227,7 +227,7 @@ class IntegratePeakTimeSlicesTest: public CxxTest::TestSuite
std::cout<<"Intensitty="<<intensity<<" sigma="<<sigma<<
" Theoret intensity="<<TotIntensity<<std::endl;
std::cout<<std::setw(15)<<"Act Int";
for( int j=12; j< 12+Twk->rowCount();j++)
for( int j=12; j< 12+(int)Twk->rowCount();j++)
std::cout<< setw(12)<<T[j];
std::cout<<std::endl;
Expand All @@ -249,107 +249,32 @@ class IntegratePeakTimeSlicesTest: public CxxTest::TestSuite
Intensitty=59870.7 sigma=665.098
Time 19250 19350 19450 19550 19650 19750 19850
Channel 12 13 14 15 16 17 18
Background 1.42777 1.52378 1.5442 1.59245 1.5442 1.52378 1.42777
Intensity 3728.05 7427 11136.6 14848.6 11136.6 7427 3728.05
Mcol 17.0001 17 17 17 17 17 17.0001
Mrow 12.0001 12.0001 12 12 12 12.0001 12.0001
SScol 3.98569 3.97392 3.97892 3.97874 3.97892 3.97392 3.98569
SSrow 3.98622 3.97946 3.97847 3.9784 3.97847 3.97946 3.98622
SSrc -0.00115238 5.38493e-05 0.000837369 0.000628028 0.000837369 5.38493e-05 -0.00115238
NCells 169 156 169 169 169 156 169
ChiSqrOverDOF 35.7813 155.375 321.268 571.226 321.268 155.375 35.7813
TotIntensity 3986.6 7718.4 11486.6 15236.6 11486.6 7718.4 3986.6
BackgroundError 0.547322 1.20823 1.64171 2.18909 1.64171 1.20823 0.547322
FitIntensityError 50.3565 106.679 150.909 201.222 150.909 106.679 50.3565
ISAWIntensity 3745.31 7480.69 11225.6 14967.5 11225.6 7480.69 3745.31
ISAWIntensityError 113.065 208.524 297.868 390.35 297.868 208.524 113.065
Start Row 5 6 6 6 6 6 5
End Row 17 17 18 18 18 17 17
Start Col 10 11 11 11 11 11 10
End Col 22 23 23 23 23 23 22
------------------------------------------------------------------------------------
better-Calc new Variances instead of using attrib sent in 4 std dev
Intensitty=59953.3 sigma=621.308 Theoret intensity=60000
Intensity=58989.5 sigma=539.266 Theoret intensity=60000
Act Int 3750 7500 11250 15000 11250 7500 3750
Time 19250 19350 19450 19550 19650 19750 19850
Channel 12 13 14 15 16 17 18
Background 1.40659 1.42122 1.43184 1.44245 1.43184 1.42122 1.40659
Intensity 3728.63 7453.29 11179.9 14906.6 11179.9 7453.29 3728.63
Mcol 17 17 17 17 17 17 17
Mrow 12 12 12 12 12 12 12
SScol 3.98984 3.98363 3.98363 3.98363 3.98363 3.98363 3.98984
SSrow 3.98933 3.98363 3.98363 3.98363 3.98363 3.98363 3.98933
SSrc-6.21198e-14-1.64668e-12-1.28421e-12-9.32082e-13-1.28421e-12-1.64668e-12-6.21198e-14
NCells 289 289 289 289 289 289 289
ChiSqrOverDOF 20.689 83.3321 187.497 333.329 187.497 83.3321 20.689
TotIntensity 4154.6 7904.6 11654.6 15404.6 11654.6 7904.6 4154.6
BackgroundError 0.294296 0.590553 0.885829 1.18111 0.885829 0.590553 0.294296
FitIntensityError 35.4244 71.0317 106.547 142.063 106.547 71.0317 35.4244
ISAWIntensity 3748.1 7493.87 11240.8 14987.7 11240.8 7493.87 3748.1
ISAWIntensityError 108.604 193.503 278.58 363.777 278.58 193.503 108.604
TotalBoundary 89.6 89.6 89.6 89.6 89.6 89.6 89.6
NBoundaryCells 64 64 64 64 64 64 64
Start Row 3 4 4 4 4 4 3
End Row 19 20 20 20 20 20 19
Start Col 9 9 9 9 9 9 9
End Col 25 25 25 25 25 25 25
========================================================================================
Circular regions
Intensitty=59982.9 sigma=606.577 Theoret intensity=60000
Act Int 3750 7500 11250 15000 11250 7500 3750
Time 19250 19350 19450 19550 19650 19750 19850
Channel 12 13 14 15 16 17 18
Background 1.40266 1.40532 1.40798 1.41064 1.40798 1.40532 1.40266
Intensity 3733.82 7467.64 11201.5 14935.3 11201.5 7467.64 3733.82
Mcol 27 27 27 27 27 27 27
Mrow 22 22 22 22 22 22 22
SScol 3.99206 3.99206 3.99206 3.99206 3.99206 3.99206 3.99206
SSrow 3.99206 3.99206 3.99206 3.99206 3.99206 3.99206 3.99206
SSrc-5.34109e-12-5.46531e-12-4.38881e-12-2.48423e-12-4.38881e-12-5.46531e-12-5.34109e-12
NCells 401 401 401 401 401 401 401
ChiSqrOverDOF 14.8788 59.5151 133.909 238.061 133.909 59.5151 14.8788
TotIntensity 4311.4 8061.4 11811.4 15561.4 11811.4 8061.4 4311.4
BackgroundError 0.205936 0.411872 0.617809 0.823745 0.617809 0.411872 0.205936
FitIntensityError 29.2084 58.4169 87.6253 116.834 87.6253 58.4169 29.2084
ISAWIntensity 3748.93 7497.87 11246.8 14995.7 11246.8 7497.87 3748.93
ISAWIntensityError 108.136 189.481 271.573 353.892 271.573 189.481 108.136
TotalBoundary 151.2 151.2 151.2 151.2 151.2 151.2 151.2
NBoundaryCells 108 108 108 108 108 108 108
Start Row 11 11 11 11 11 11 11
End Row 33 33 33 33 33 33 33
Start Col 16 16 16 16 16 16 16
End Col 38 38 38 38 38 38 38
==================================================================================
Circular Regions 4sigs, CalcVar=0(redo of optimization). Constraints on variables added
Intensitty=60340.5 sigma=466.885 Theoret intensity=60000
Act Int 3750 7500 11250 15000 11250 7500 3750
Time 19250 19350 19450 19550 19650 19750 19850
Channel 12 13 14 15 16 17 18
Background 1.41953 1.23611 1.23688 1.23589 1.23688 1.23611 1.41953
Intensity 3745.82 7568.01 11331 15097.3 11331 7568.01 3745.82
Time 19200 19350 19450 19550 19650 19750 19900
Channel 11.5 13 14 15 16 17 18.5
Background 2.78004 1.2619 1.26187 1.26226 1.26187 1.2619 2.78004
Intensity 3751.16 7556.68 11309.8 15063 11309.8 7556.68 3751.16
Mcol 27 27 27 27 27 27 27
Mrow 22 22 22 22 22 22 22
SScol 4.44865 4.45006 4.45015 4.45 4.45015 4.45006 4.44865
SSrow 4.44851 4.45003 4.45003 4.45013 4.45003 4.45003 4.44851
SSrc 0.000101854 0.000169181 0.000257058 0.000347122 0.000257058 0.000169181 0.000101854
NCells 437 437 437 437 437 437 437
ChiSqrOverDOF 9.98124 34.0985 76.7824 136.568 76.7824 34.0985 9.98124
TotIntensity 4361.8 8111.8 11861.8 15611.8 11861.8 8111.8 4361.8
BackgroundError 0.175194 0.317447 0.480952 0.242143 0.480952 0.317447 0.175194
FitIntensityError 38.725 65.9045 103.054 124.116 103.054 65.9045 38.725
ISAWIntensity 3741.47 7571.62 11321.3 15071.7 11321.3 7571.62 3741.47
ISAWIntensityError 104.132 167.022 237.858 165.375 237.858 167.022 104.132
TotalBoundary 123.2 123.2 123.2 123.2 123.2 123.2 123.2
NBoundaryCells 88 88 88 88 88 88 88
Start Row 11 11 11 11 11 11 11
End Row 33 33 33 33 33 33 33
Start Col 16 16 16 16 16 16 16
End Col 38 38 38 38 38 38 38
TotIntensityError 66.0439 90.0655 108.912 124.947 108.912 90.0655 66.0439
Mrow 22.0001 22.0001 22.0001 22.0001 22.0001 22.0001 22.0001
SScol 4.45014 4.45002 4.45012 4.45013 4.45012 4.45002 4.45014
SSrow 4.4498 4.45009 4.45004 4.45006 4.45004 4.45009 4.4498
SSrc 0.000203427 0.000317585 0.000485281 0.000653647 0.000485281 0.000317585 0.000203427
NCells 553 553 553 553 553 553 553
ChiSqrOverDOF 9.58119 26.8175 60.4183 107.505 60.4183 26.8175 9.58119
TotIntensity 5298.4 8274.2 12024.2 15774.2 12024.2 8274.2 5298.4
BackgroundError 0.144835 0.242935 0.367252 0.491398 0.367252 0.242935 0.144835
FitIntensityError 33.4156 56.727 88.5118 119.975 88.5118 56.727 33.4156
ISAWIntensity 3761.04 7576.37 11326.4 15076.2 11326.4 7576.37 3761.04
ISAWIntensityError 115.112 164.378 232.309 300.527 232.309 164.378 115.112
TotalBoundary 347.2 173.6 173.6 173.6 173.6 173.6 347.2
NBoundaryCells 124 124 124 124 124 124 124
Start Row 9 9 9 9 9 9 9
End Row 35 35 35 35 35 35 35
Start Col 14 14 14 14 14 14 14
End Col 40 40 40 40 40 40 40
TotIntensityError 72.7901 90.9626 109.655 125.595 109.655 90.9626 72.7901
*/
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10 changes: 5 additions & 5 deletions Code/Mantid/Framework/Crystal/test/PeakIntegrationTest.h
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Original file line number Diff line number Diff line change
Expand Up @@ -209,16 +209,16 @@ class PeakIntegrationTest : public CxxTest::TestSuite

double intensity =peak.getIntensity();
double sigIntensity =peak.getSigmaIntensity();
//std::cout<<"Peak Intens,sig,slice="<<intensity;
//std::cout<<","<<sigIntensity<<","<<slices<<std::endl;
// std::cout<<"Peak Intens,sig,slice="<<intensity;
// std::cout<<","<<sigIntensity<<","<<slices<<std::endl;
double intensity0=4418;
if( slices)
intensity0= 5806;
intensity0= 3141;
TS_ASSERT_DELTA(intensity,intensity0, 100.0);

double sig0=65;
double sig0=66;
if( slices)
sig0=147;
sig0=115;


TS_ASSERT_DELTA( sigIntensity,sig0, 5.0);
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