Changeset 641550 for src/Analysis/unittests/AnalysisBondsUnitTest.cpp

Timestamp:

Aug 11, 2025, 5:43:56 PM (3 months ago)

Author:

Frederik Heber <frederik.heber@…>

Branches:

Candidate_v1.7.0, stable

Children:

ce666c

Parents:

c41ce0

git-author:

Frederik Heber <frederik.heber@…> (05/07/24 20:05:47)

git-committer:

Frederik Heber <frederik.heber@…> (08/11/25 17:43:56)

Message:

FIX: Fixes GetBondLength off-by-one.

• in ad09292f6 we overlooked some more call sites.

File:

• src/Analysis/unittests/AnalysisBondsUnitTest.cpp (modified) (1 diff)

src/Analysis/unittests/AnalysisBondsUnitTest.cpp

@@ -120 +120 @@
 
   CPPUNIT_ASSERT_EQUAL( true , BG->LoadBondLengthTable(test) );
-  CPPUNIT_ASSERT_EQUAL( 1., BG->GetBondLength(0,0) );
-  CPPUNIT_ASSERT_EQUAL( 1.2, BG->GetBondLength(0,5) );
-  CPPUNIT_ASSERT_EQUAL( 1.5, BG->GetBondLength(5,5) );
+  CPPUNIT_ASSERT_EQUAL( 1., BG->GetBondLength(1,1) );
+  CPPUNIT_ASSERT_EQUAL( 1.2, BG->GetBondLength(1,6) );
+  CPPUNIT_ASSERT_EQUAL( 1.5, BG->GetBondLength(6,6) );
 
   World::AtomComposite Set = TestMolecule->getAtomSet();