re #7358 add output properties

mantidproject · Jun 25, 2013 · b0973d7 · b0973d7
1 parent 5c3d657
commit b0973d7
Showing 1 changed file with 17 additions and 0 deletions.
diff --git a/Code/Mantid/Framework/DataHandling/src/SetSampleMaterial.cpp b/Code/Mantid/Framework/DataHandling/src/SetSampleMaterial.cpp
@@ -153,6 +153,14 @@ namespace DataHandling
     setPropertySettings("UnitCellVolume", new Kernel::EnabledWhenProperty("SampleNumberDensity", Kernel::IS_DEFAULT));
     setPropertySettings("ZParameter", new Kernel::EnabledWhenProperty("SampleNumberDensity", Kernel::IS_DEFAULT));
 
+    //output properties
+    declareProperty("SampleNumberDensityResult", EMPTY_DBL(), "The provided or calculated sample number density in atoms/Angstrom^3"); 
+    declareProperty("ReferenceWavelength", EMPTY_DBL(), "The reference wavelength in Angstroms");
+    declareProperty("TotalXSectionResult", EMPTY_DBL(), "The provided or calculated total cross-section for the sample material in barns.");
+    declareProperty("IncoherentXSectionResult", EMPTY_DBL(), "The provided or calculated incoherent cross-section for the sample material in barns.");
+    declareProperty("CoherentXSectionResult", EMPTY_DBL(), "The provided or calculated coherent cross-section for the sample material in barns.");
+    declareProperty("AbsorptionXSectionResult", EMPTY_DBL(),"The provided or calculated Absorption cross-section for the sample material in barns.");
+
   }
 
   std::map<std::string, std::string> SetSampleMaterial::validateInputs()
@@ -291,14 +299,23 @@ namespace DataHandling
       expInfo->mutableSample().setMaterial(*mat);
       g_log.notice() << "Sample number density ";
       if (isEmpty(mat->numberDensity()))
+      {
         g_log.notice() << "was not specified\n";
+      }
       else
+      {
         g_log.notice() << "= " << mat->numberDensity() << " atoms/Angstrom^3\n";
+        setProperty("SampleNumberDensityResult", mat->numberDensity()); // in atoms/Angstrom^3
+      }
       g_log.notice() << "Cross sections for wavelength = " << NeutronAtom::ReferenceLambda << "Angstroms\n"
                      << "    Coherent "   << mat->cohScatterXSection() << " barns\n"
                      << "    Incoherent " << mat->incohScatterXSection() << " barns\n"
                      << "    Total "      << mat->totalScatterXSection() << " barns\n"
                      << "    Absorption " << mat->absorbXSection() << " barns\n";
+           setProperty("IncoherentXSectionResult", mat->incohScatterXSection()); // in barns
+      setProperty("TotalXSectionResult",mat->totalScatterXSection()); // in barns
+      setProperty("AbsorptionXSectionResult",mat->absorbXSection()); // in barns
+      setProperty("ReferenceWavelength",NeutronAtom::ReferenceLambda); // in Angstroms
     }
     else
     {