TST: objcryst inversion center is correct

Author: pavoljuhas

src/tests/TestObjCrystStructureAdapter.hpp

@@ -247,6 +247,17 @@ class TestObjCrystStructureAdapter : public CxxTest::TestSuite
         }
 
 
+        void test_objcryst_inversion_center()
+        {
+            // verify ObjCryst bug in SpaceGroup.GetInversionCenter is fixed
+            ObjCryst::SpaceGroup sg129("P 4/n m m :1");
+            const CrystVector_REAL xyzinv = sg129.GetInversionCenter();
+            TS_ASSERT_EQUALS(0.25, xyzinv(0));
+            TS_ASSERT_EQUALS(0.25, xyzinv(1));
+            TS_ASSERT_EQUALS(0.0, xyzinv(2));
+        }
+
+
         void test_getEquivalentAtoms()
         {
             diffpy::mathutils::EpsilonEqual allclose;