Adding ACE file and test for createTabulatedScatteringFunction

cmake/unit_testing.cmake

@@ -50,4 +50,5 @@ add_subdirectory( src/dryad/Reaction/test )
 add_subdirectory( src/dryad/ProjectileTarget/test )
 
 add_subdirectory( src/dryad/format/test )
+add_subdirectory( src/dryad/format/ace/test )
 add_subdirectory( src/dryad/format/endf/test )

src/dryad/format/ace/test/CMakeLists.txt

@@ -0,0 +1 @@
+add_cpp_test( format.ace.createTabulatedScatteringFunction      createTabulatedScatteringFunction.test.cpp )

src/dryad/format/ace/test/createTabulatedScatteringFunction.test.cpp

@@ -0,0 +1,90 @@
+// include Catch2
+#include <catch2/catch_test_macros.hpp>
+#include <catch2/matchers/catch_matchers_floating_point.hpp>
+using Catch::Matchers::WithinRel;
+
+// what we are testing
+#include "dryad/format/ace/createTabulatedScatteringFunction.hpp"
+
+// other includes
+#include "ACEtk/fromFile.hpp"
+#include "ACEtk/PhotoatomicTable.hpp"
+
+// convenience typedefs
+using namespace njoy::dryad;
+
+void verifyCoherentChunk( const TabulatedScatteringFunction& );
+void verifyIncoherentChunk( const TabulatedScatteringFunction& );
+
+SCENARIO( "createTabulatedScatteringFunction" ) {
+
+  GIVEN( "instances of photoatomic ACE CoherentFormFactorBlock and "
+         "IncoherentScatteringFunctionBlock" ) {
+
+    njoy::ACEtk::PhotoatomicTable table( njoy::ACEtk::fromFile( "1000.14p" ) );
+    auto coherent = table.coherentFormFactorBlock();
+    auto incoherent = table.incoherentScatteringFunctionBlock();
+
+    WHEN( "a single CoherentFormFactorBlock is given" ) {
+
+      THEN( "it can be converted" ) {
+
+        auto chunk = format::ace::createTabulatedScatteringFunction( coherent );
+
+        verifyCoherentChunk( chunk );
+      } // THEN
+    } // WHEN
+
+    WHEN( "a single IncoherentScatteringFunctionBlock is given" ) {
+
+      THEN( "it can be converted" ) {
+
+        auto chunk = format::ace::createTabulatedScatteringFunction( incoherent );
+
+        verifyIncoherentChunk( chunk );
+      } // THEN
+    } // WHEN
+  } // GIVEN
+} // SCENARIO
+
+void verifyCoherentChunk( const TabulatedScatteringFunction& chunk ) {
+
+  CHECK( true == chunk.isLinearised() );
+  CHECK( 90 == chunk.numberPoints() );
+  CHECK( 1 == chunk.numberRegions() );
+  CHECK( 90 == chunk.inverseLengths().size() );
+  CHECK( 90 == chunk.values().size() );
+  CHECK( 1 == chunk.boundaries().size() );
+  CHECK( 1 == chunk.interpolants().size() );
+  CHECK( 89 == chunk.boundaries()[0] );
+  CHECK( InterpolationType::LinearLinear == chunk.interpolants()[0] );
+  CHECK_THAT(          0, WithinRel( chunk.inverseLengths()[0] ) );
+  CHECK_THAT(      0.001, WithinRel( chunk.inverseLengths()[1] ) );
+  CHECK_THAT(       1e+6, WithinRel( chunk.inverseLengths()[88] ) );
+  CHECK_THAT(       1e+9, WithinRel( chunk.inverseLengths()[89] ) );
+  CHECK_THAT(          1, WithinRel( chunk.values()[0] ) );
+  CHECK_THAT(          1, WithinRel( chunk.values()[1] ) );
+  CHECK_THAT( 8.1829e-27, WithinRel( chunk.values()[88] ) );
+  CHECK_THAT( 8.1829e-39, WithinRel( chunk.values()[89] ) );
+}
+
+void verifyIncoherentChunk( const TabulatedScatteringFunction& chunk ) {
+
+  CHECK( true == chunk.isLinearised() );
+  CHECK( 94 == chunk.numberPoints() );
+  CHECK( 1 == chunk.numberRegions() );
+  CHECK( 94 == chunk.inverseLengths().size() );
+  CHECK( 94 == chunk.values().size() );
+  CHECK( 1 == chunk.boundaries().size() );
+  CHECK( 1 == chunk.interpolants().size() );
+  CHECK( 93 == chunk.boundaries()[0] );
+  CHECK( InterpolationType::LinearLinear == chunk.interpolants()[0] );
+  CHECK_THAT(          0, WithinRel( chunk.inverseLengths()[0] ) );
+  CHECK_THAT(       1e-7, WithinRel( chunk.inverseLengths()[1] ) );
+  CHECK_THAT(       1e+6, WithinRel( chunk.inverseLengths()[92] ) );
+  CHECK_THAT(       1e+9, WithinRel( chunk.inverseLengths()[93] ) );
+  CHECK_THAT(          0, WithinRel( chunk.values()[0] ) );
+  CHECK_THAT( 4.4097e-13, WithinRel( chunk.values()[1] ) );
+  CHECK_THAT(          1, WithinRel( chunk.values()[92] ) );
+  CHECK_THAT(          1, WithinRel( chunk.values()[93] ) );
+}