Updating MF32 LCOMP1 resonance parameters to function in the same way as MF2 - and solve the python issue

Author: whaeck

ReleaseNotes.md

@@ -7,13 +7,13 @@ NOTES FOR range-v3 REMOVAL:
   - Python issues for MU and F in MF6 LAW1 TabulatedDistribution
   - Python issues for total, elastic, fission, capture, current_weighted_total in mF2 MT152
   - Python issues for MSIGMA in MF7 MT4 ScatteringLawConstants
-  - Python issues for GAM in MF32 MT151 ResonanceParameters
 
 ## [ENDFtk v1.1.1](https://github.com/njoy/ENDFtk/pull/xxx)
 This update makes the following changes on interface functions:
   - The regions() and pairs() interface functions on the TAB1 record interface functions have been removed. The removal of these interface functions has no impact on the Python interface as these interface functions were not included on the Python side. Miscellaneous documentation updates were made as well.
   - When using the C++ interface for atomic relaxation data, a Transition now has a isRadiative() and isNonRadiative() function returning a boolean so that a user can check if a given transition emits a photon or electron without having to look at subshell identifiers. Since Transition is not exposed ont he Python side, this is not available on the Python side.
   - NBT(), INT(), boundaries(), interpolants(), NR(), numberInterpolationRegions() interface functions were added on TwoBodyScattering::TabulatedDistribution in MF6 and MF26 that mimic the behaviour of a TAB1 record.
+  - For LCOMP1 RMatrix Limited, the GAM() and resonanceParameters() functions have been changed to work the same way as the MF2 version. The size of the returned arrays is no longer equal to the number of channels.
 
 In addition, the following issues were corrected:
   - A minor bug in the rectangular matrix covariance block was corrected. The values for the row and column energies are lifted out of a larger array using the std::ranges::take and std::ranges::drop function. For the column energies, we forgot to properly end the sequence. As a result, the end() iterator of the range did not point to the end of the column energies but to the end of the covariance values, which is now corrected.

python/test/MF32/MT151/LCOMP1/Test_ENDFtk_MF32_MT151_LCOMP1_ResonanceParameters.py

@@ -44,34 +44,54 @@ def verify_chunk( self, chunk ) :
             self.assertAlmostEqual(  7.788000e+3, chunk.ER[1] )
             self.assertAlmostEqual( -1.223300e+6, chunk.resonance_energies[0] )
             self.assertAlmostEqual(  7.788000e+3, chunk.resonance_energies[1] )
-            #self.assertEqual( 6, len( chunk.GAM[0] ) )
-            #self.assertEqual( 6, len( chunk.GAM[1] ) )
+            self.assertEqual( 11, len( chunk.GAM[0] ) )
+            self.assertEqual( 11, len( chunk.GAM[1] ) )
             self.assertAlmostEqual( 1., chunk.GAM[0][0] )
             self.assertAlmostEqual( 9.611086e+5, chunk.GAM[0][1] )
-            #self.assertAlmostEqual( 2., chunk.GAM[0][2] )
-            #self.assertAlmostEqual( 3., chunk.GAM[0][3] )
-            #self.assertAlmostEqual( 4., chunk.GAM[0][4] )
-            #self.assertAlmostEqual( 5., chunk.GAM[0][5] )
+            self.assertAlmostEqual( 2., chunk.GAM[0][2] )
+            self.assertAlmostEqual( 3., chunk.GAM[0][3] )
+            self.assertAlmostEqual( 4., chunk.GAM[0][4] )
+            self.assertAlmostEqual( 5., chunk.GAM[0][5] )
+            self.assertAlmostEqual( 0., chunk.GAM[0][6] )
+            self.assertAlmostEqual( 0., chunk.GAM[0][7] )
+            self.assertAlmostEqual( 0., chunk.GAM[0][8] )
+            self.assertAlmostEqual( 0., chunk.GAM[0][9] )
+            self.assertAlmostEqual( 0., chunk.GAM[0][10] )
             self.assertAlmostEqual( 1.455, chunk.GAM[1][0] )
             self.assertAlmostEqual( 1.187354e+3, chunk.GAM[1][1] )
-            #self.assertAlmostEqual( 6., chunk.GAM[1][2] )
-            #self.assertAlmostEqual( 7., chunk.GAM[1][3] )
-            #self.assertAlmostEqual( 8., chunk.GAM[1][4] )
-            #self.assertAlmostEqual( 9., chunk.GAM[1][5] )
-            #self.assertEqual( 6, len( chunk.resonance_parameters[0] ) )
-            #self.assertEqual( 6, len( chunk.resonance_parameters[1] ) )
+            self.assertAlmostEqual( 6., chunk.GAM[1][2] )
+            self.assertAlmostEqual( 7., chunk.GAM[1][3] )
+            self.assertAlmostEqual( 8., chunk.GAM[1][4] )
+            self.assertAlmostEqual( 9., chunk.GAM[1][5] )
+            self.assertAlmostEqual( 0., chunk.GAM[1][6] )
+            self.assertAlmostEqual( 0., chunk.GAM[1][7] )
+            self.assertAlmostEqual( 0., chunk.GAM[1][8] )
+            self.assertAlmostEqual( 0., chunk.GAM[1][9] )
+            self.assertAlmostEqual( 0., chunk.GAM[1][10] )
+            self.assertEqual( 11, len( chunk.resonance_parameters[0] ) )
+            self.assertEqual( 11, len( chunk.resonance_parameters[1] ) )
             self.assertAlmostEqual( 1., chunk.resonance_parameters[0][0] )
             self.assertAlmostEqual( 9.611086e+5, chunk.resonance_parameters[0][1] )
-            #self.assertAlmostEqual( 2., chunk.resonance_parameters[0][2] )
-            #self.assertAlmostEqual( 3., chunk.resonance_parameters[0][3] )
-            #self.assertAlmostEqual( 4., chunk.resonance_parameters[0][4] )
-            #self.assertAlmostEqual( 5., chunk.resonance_parameters[0][5] )
+            self.assertAlmostEqual( 2., chunk.resonance_parameters[0][2] )
+            self.assertAlmostEqual( 3., chunk.resonance_parameters[0][3] )
+            self.assertAlmostEqual( 4., chunk.resonance_parameters[0][4] )
+            self.assertAlmostEqual( 5., chunk.resonance_parameters[0][5] )
+            self.assertAlmostEqual( 0., chunk.resonance_parameters[0][6] )
+            self.assertAlmostEqual( 0., chunk.resonance_parameters[0][7] )
+            self.assertAlmostEqual( 0., chunk.resonance_parameters[0][8] )
+            self.assertAlmostEqual( 0., chunk.resonance_parameters[0][9] )
+            self.assertAlmostEqual( 0., chunk.resonance_parameters[0][10] )
             self.assertAlmostEqual( 1.455, chunk.resonance_parameters[1][0] )
             self.assertAlmostEqual( 1.187354e+3, chunk.resonance_parameters[1][1] )
-            #self.assertAlmostEqual( 6., chunk.resonance_parameters[1][2] )
-            #self.assertAlmostEqual( 7., chunk.resonance_parameters[1][3] )
-            #self.assertAlmostEqual( 8., chunk.resonance_parameters[1][4] )
-            #self.assertAlmostEqual( 9., chunk.resonance_parameters[1][5] )
+            self.assertAlmostEqual( 6., chunk.resonance_parameters[1][2] )
+            self.assertAlmostEqual( 7., chunk.resonance_parameters[1][3] )
+            self.assertAlmostEqual( 8., chunk.resonance_parameters[1][4] )
+            self.assertAlmostEqual( 9., chunk.resonance_parameters[1][5] )
+            self.assertAlmostEqual( 0., chunk.resonance_parameters[1][6] )
+            self.assertAlmostEqual( 0., chunk.resonance_parameters[1][7] )
+            self.assertAlmostEqual( 0., chunk.resonance_parameters[1][8] )
+            self.assertAlmostEqual( 0., chunk.resonance_parameters[1][9] )
+            self.assertAlmostEqual( 0., chunk.resonance_parameters[1][10] )
 
             self.assertEqual( 5, chunk.NC )
 

python/test/MF32/MT151/Test_ENDFtk_MF32_MT151_GeneralRMatrixLimited.py

@@ -85,18 +85,30 @@ def verify_chunk( self, chunk ) :
             self.assertAlmostEqual(  1.913996e+6, parameters1.ER[1] )
             self.assertAlmostEqual( -4.586687e+5, parameters1.resonance_energies[0] )
             self.assertAlmostEqual(  1.913996e+6, parameters1.resonance_energies[1] )
-            self.assertEqual( 2, len( parameters1.GAM[0] ) )
-            self.assertEqual( 2, len( parameters1.GAM[1] ) )
+            self.assertEqual( 5, len( parameters1.GAM[0] ) )
+            self.assertEqual( 5, len( parameters1.GAM[1] ) )
             self.assertAlmostEqual( 1.000091, parameters1.GAM[0][0] )
             self.assertAlmostEqual( 9.809761e+2, parameters1.GAM[0][1] )
+            self.assertAlmostEqual( 0., parameters1.GAM[0][2] )
+            self.assertAlmostEqual( 0., parameters1.GAM[0][3] )
+            self.assertAlmostEqual( 0., parameters1.GAM[0][4] )
             self.assertAlmostEqual( 1., parameters1.GAM[1][0] )
             self.assertAlmostEqual( 1.878975e+5, parameters1.GAM[1][1] )
-            self.assertEqual( 2, len( parameters1.resonance_parameters[0] ) )
-            self.assertEqual( 2, len( parameters1.resonance_parameters[1] ) )
+            self.assertAlmostEqual( 0., parameters1.GAM[1][2] )
+            self.assertAlmostEqual( 0., parameters1.GAM[1][3] )
+            self.assertAlmostEqual( 0., parameters1.GAM[1][4] )
+            self.assertEqual( 5, len( parameters1.resonance_parameters[0] ) )
+            self.assertEqual( 5, len( parameters1.resonance_parameters[1] ) )
             self.assertAlmostEqual( 1.000091, parameters1.resonance_parameters[0][0] )
             self.assertAlmostEqual( 9.809761e+2, parameters1.resonance_parameters[0][1] )
+            self.assertAlmostEqual( 0., parameters1.resonance_parameters[0][2] )
+            self.assertAlmostEqual( 0., parameters1.resonance_parameters[0][3] )
+            self.assertAlmostEqual( 0., parameters1.resonance_parameters[0][4] )
             self.assertAlmostEqual( 1., parameters1.resonance_parameters[1][0] )
             self.assertAlmostEqual( 1.878975e+5, parameters1.resonance_parameters[1][1] )
+            self.assertAlmostEqual( 0., parameters1.resonance_parameters[1][2] )
+            self.assertAlmostEqual( 0., parameters1.resonance_parameters[1][3] )
+            self.assertAlmostEqual( 0., parameters1.resonance_parameters[1][4] )
 
             parameters2 = block.resonance_parameters[1]
             self.assertEqual( 1, parameters2.NCH )
@@ -117,19 +129,42 @@ def verify_chunk( self, chunk ) :
             self.assertAlmostEqual( 2.880782e+3, parameters2.resonance_energies[0] )
             self.assertAlmostEqual( 6.957171e+3, parameters2.resonance_energies[1] )
             self.assertAlmostEqual( 1.003819e+5, parameters2.resonance_energies[2] )
-            #self.assertEqual( 1, len( parameters2.GAM[0] ) )
-            #self.assertEqual( 1, len( parameters2.GAM[1] ) )
-            #self.assertEqual( 1, len( parameters2.GAM[2] ) )
+            self.assertEqual( 5, len( parameters2.GAM[0] ) )
+            self.assertEqual( 5, len( parameters2.GAM[1] ) )
+            self.assertEqual( 5, len( parameters2.GAM[2] ) )
             self.assertAlmostEqual( .3499989, parameters2.GAM[0][0] )
+            self.assertAlmostEqual( 0., parameters2.GAM[0][1] )
+            self.assertAlmostEqual( 0., parameters2.GAM[0][2] )
+            self.assertAlmostEqual( 0., parameters2.GAM[0][3] )
+            self.assertAlmostEqual( 0., parameters2.GAM[0][4] )
             self.assertAlmostEqual( .3500785, parameters2.GAM[1][0] )
+            self.assertAlmostEqual( 0., parameters2.GAM[1][1] )
+            self.assertAlmostEqual( 0., parameters2.GAM[1][2] )
+            self.assertAlmostEqual( 0., parameters2.GAM[1][3] )
+            self.assertAlmostEqual( 0., parameters2.GAM[1][4] )
             self.assertAlmostEqual( 1.382810, parameters2.GAM[2][0] )
-            #self.assertEqual( 1, len( parameters2.resonance_parameters[0] ) )
-            #self.assertEqual( 1, len( parameters2.resonance_parameters[1] ) )
-            #self.assertEqual( 1, len( parameters2.resonance_parameters[2] ) )
+            self.assertAlmostEqual( 0., parameters2.GAM[2][1] )
+            self.assertAlmostEqual( 0., parameters2.GAM[2][2] )
+            self.assertAlmostEqual( 0., parameters2.GAM[2][3] )
+            self.assertAlmostEqual( 0., parameters2.GAM[2][4] )
+            self.assertEqual( 5, len( parameters2.resonance_parameters[0] ) )
+            self.assertEqual( 5, len( parameters2.resonance_parameters[1] ) )
+            self.assertEqual( 5, len( parameters2.resonance_parameters[2] ) )
             self.assertAlmostEqual( .3499989, parameters2.resonance_parameters[0][0] )
+            self.assertAlmostEqual( 0., parameters2.resonance_parameters[0][1] )
+            self.assertAlmostEqual( 0., parameters2.resonance_parameters[0][2] )
+            self.assertAlmostEqual( 0., parameters2.resonance_parameters[0][3] )
+            self.assertAlmostEqual( 0., parameters2.resonance_parameters[0][4] )
             self.assertAlmostEqual( .3500785, parameters2.resonance_parameters[1][0] )
+            self.assertAlmostEqual( 0., parameters2.resonance_parameters[1][1] )
+            self.assertAlmostEqual( 0., parameters2.resonance_parameters[1][2] )
+            self.assertAlmostEqual( 0., parameters2.resonance_parameters[1][3] )
+            self.assertAlmostEqual( 0., parameters2.resonance_parameters[1][4] )
             self.assertAlmostEqual( 1.382810, parameters2.resonance_parameters[2][0] )
-
+            self.assertAlmostEqual( 0., parameters2.resonance_parameters[2][1] )
+            self.assertAlmostEqual( 0., parameters2.resonance_parameters[2][2] )
+            self.assertAlmostEqual( 0., parameters2.resonance_parameters[2][3] )
+            self.assertAlmostEqual( 0., parameters2.resonance_parameters[2][4] )
             matrix = block.covariance_matrix
             self.assertEqual( 12, matrix.NPARB )
             self.assertEqual( 12, matrix.covariance_matrix_order )

python/test/MF32/MT151/Test_ENDFtk_MF32_MT151_ShortRangeRMatrixLimitedBlock.py

@@ -82,18 +82,30 @@ def verify_chunk( self, chunk ) :
             self.assertAlmostEqual(  1.913996e+6, parameters1.ER[1] )
             self.assertAlmostEqual( -4.586687e+5, parameters1.resonance_energies[0] )
             self.assertAlmostEqual(  1.913996e+6, parameters1.resonance_energies[1] )
-            self.assertEqual( 2, len( parameters1.GAM[0] ) )
-            self.assertEqual( 2, len( parameters1.GAM[1] ) )
+            self.assertEqual( 5, len( parameters1.GAM[0] ) )
+            self.assertEqual( 5, len( parameters1.GAM[1] ) )
             self.assertAlmostEqual( 1.000091, parameters1.GAM[0][0] )
             self.assertAlmostEqual( 9.809761e+2, parameters1.GAM[0][1] )
+            self.assertAlmostEqual( 0., parameters1.GAM[0][2] )
+            self.assertAlmostEqual( 0., parameters1.GAM[0][3] )
+            self.assertAlmostEqual( 0., parameters1.GAM[0][4] )
             self.assertAlmostEqual( 1., parameters1.GAM[1][0] )
             self.assertAlmostEqual( 1.878975e+5, parameters1.GAM[1][1] )
-            self.assertEqual( 2, len( parameters1.resonance_parameters[0] ) )
-            self.assertEqual( 2, len( parameters1.resonance_parameters[1] ) )
+            self.assertAlmostEqual( 0., parameters1.GAM[1][2] )
+            self.assertAlmostEqual( 0., parameters1.GAM[1][3] )
+            self.assertAlmostEqual( 0., parameters1.GAM[1][4] )
+            self.assertEqual( 5, len( parameters1.resonance_parameters[0] ) )
+            self.assertEqual( 5, len( parameters1.resonance_parameters[1] ) )
             self.assertAlmostEqual( 1.000091, parameters1.resonance_parameters[0][0] )
             self.assertAlmostEqual( 9.809761e+2, parameters1.resonance_parameters[0][1] )
+            self.assertAlmostEqual( 0., parameters1.resonance_parameters[0][2] )
+            self.assertAlmostEqual( 0., parameters1.resonance_parameters[0][3] )
+            self.assertAlmostEqual( 0., parameters1.resonance_parameters[0][4] )
             self.assertAlmostEqual( 1., parameters1.resonance_parameters[1][0] )
             self.assertAlmostEqual( 1.878975e+5, parameters1.resonance_parameters[1][1] )
+            self.assertAlmostEqual( 0., parameters1.resonance_parameters[1][2] )
+            self.assertAlmostEqual( 0., parameters1.resonance_parameters[1][3] )
+            self.assertAlmostEqual( 0., parameters1.resonance_parameters[1][4] )
 
             parameters2 = chunk.resonance_parameters[1]
             self.assertEqual( 1, parameters2.NCH )
@@ -114,18 +126,42 @@ def verify_chunk( self, chunk ) :
             self.assertAlmostEqual( 2.880782e+3, parameters2.resonance_energies[0] )
             self.assertAlmostEqual( 6.957171e+3, parameters2.resonance_energies[1] )
             self.assertAlmostEqual( 1.003819e+5, parameters2.resonance_energies[2] )
-            #self.assertEqual( 1, len( parameters2.GAM[0] ) )
-            #self.assertEqual( 1, len( parameters2.GAM[1] ) )
-            #self.assertEqual( 1, len( parameters2.GAM[2] ) )
+            self.assertEqual( 5, len( parameters2.GAM[0] ) )
+            self.assertEqual( 5, len( parameters2.GAM[1] ) )
+            self.assertEqual( 5, len( parameters2.GAM[2] ) )
             self.assertAlmostEqual( .3499989, parameters2.GAM[0][0] )
+            self.assertAlmostEqual( 0., parameters2.GAM[0][1] )
+            self.assertAlmostEqual( 0., parameters2.GAM[0][2] )
+            self.assertAlmostEqual( 0., parameters2.GAM[0][3] )
+            self.assertAlmostEqual( 0., parameters2.GAM[0][4] )
             self.assertAlmostEqual( .3500785, parameters2.GAM[1][0] )
+            self.assertAlmostEqual( 0., parameters2.GAM[1][1] )
+            self.assertAlmostEqual( 0., parameters2.GAM[1][2] )
+            self.assertAlmostEqual( 0., parameters2.GAM[1][3] )
+            self.assertAlmostEqual( 0., parameters2.GAM[1][4] )
             self.assertAlmostEqual( 1.382810, parameters2.GAM[2][0] )
-            #self.assertEqual( 1, len( parameters2.resonance_parameters[0] ) )
-            #self.assertEqual( 1, len( parameters2.resonance_parameters[1] ) )
-            #self.assertEqual( 1, len( parameters2.resonance_parameters[2] ) )
+            self.assertAlmostEqual( 0., parameters2.GAM[2][1] )
+            self.assertAlmostEqual( 0., parameters2.GAM[2][2] )
+            self.assertAlmostEqual( 0., parameters2.GAM[2][3] )
+            self.assertAlmostEqual( 0., parameters2.GAM[2][4] )
+            self.assertEqual( 5, len( parameters2.resonance_parameters[0] ) )
+            self.assertEqual( 5, len( parameters2.resonance_parameters[1] ) )
+            self.assertEqual( 5, len( parameters2.resonance_parameters[2] ) )
             self.assertAlmostEqual( .3499989, parameters2.resonance_parameters[0][0] )
+            self.assertAlmostEqual( 0., parameters2.resonance_parameters[0][1] )
+            self.assertAlmostEqual( 0., parameters2.resonance_parameters[0][2] )
+            self.assertAlmostEqual( 0., parameters2.resonance_parameters[0][3] )
+            self.assertAlmostEqual( 0., parameters2.resonance_parameters[0][4] )
             self.assertAlmostEqual( .3500785, parameters2.resonance_parameters[1][0] )
+            self.assertAlmostEqual( 0., parameters2.resonance_parameters[1][1] )
+            self.assertAlmostEqual( 0., parameters2.resonance_parameters[1][2] )
+            self.assertAlmostEqual( 0., parameters2.resonance_parameters[1][3] )
+            self.assertAlmostEqual( 0., parameters2.resonance_parameters[1][4] )
             self.assertAlmostEqual( 1.382810, parameters2.resonance_parameters[2][0] )
+            self.assertAlmostEqual( 0., parameters2.resonance_parameters[2][1] )
+            self.assertAlmostEqual( 0., parameters2.resonance_parameters[2][2] )
+            self.assertAlmostEqual( 0., parameters2.resonance_parameters[2][3] )
+            self.assertAlmostEqual( 0., parameters2.resonance_parameters[2][4] )
 
             matrix = chunk.covariance_matrix
             self.assertEqual( 12, matrix.NPARB )