Changeset f5fa48 for src/Fragmentation/Exporters/unittests/SaturatedFragmentUnitTest.cpp

Timestamp:

Aug 20, 2014, 1:06:47 PM (11 years ago)

Author:

Frederik Heber <heber@…>

Children:

d635829

Parents:

ce0ca4

git-author:

Frederik Heber <heber@…> (07/18/14 17:08:09)

git-committer:

Frederik Heber <heber@…> (08/20/14 13:06:47)

Message:

SaturatedFragment can deal with a global saturation position map.

• so far, we create an empty one in FragmentationAction such that nothing's changed for the moment.
• similarly in StoreSaturatedFragmentAction. However, there this is intended as only local information is required (it's only a single fragment).

File:

• src/Fragmentation/Exporters/unittests/SaturatedFragmentUnitTest.cpp (modified) (1 diff)

src/Fragmentation/Exporters/unittests/SaturatedFragmentUnitTest.cpp

@@ -69 +69 @@
   ASSERT_DO(Assert::Throw);
 
+  SaturatedFragment::GlobalSaturationPositions_t globalpositions;
   set = new KeySet;
-  fragment = new SaturatedFragment(*set, KeySetsInUse, hydrogens, ExcludeHydrogen, DoSaturate);
+  fragment = new SaturatedFragment(
+      *set,
+      KeySetsInUse,
+      hydrogens,
+      ExcludeHydrogen,
+      DoSaturate,
+      globalpositions);
 }