Revert "increase QCP precision threshold (try to fix #914)"

sbittrich · sbittrich · commit 83cf763e0f4b · 2021-02-11T16:57:33.000-08:00
This reverts commit e94f047
diff --git a/biojava-structure/src/main/java/org/biojava/nbio/structure/geometry/SuperPositionQCP.java b/biojava-structure/src/main/java/org/biojava/nbio/structure/geometry/SuperPositionQCP.java
@@ -111,7 +111,7 @@ public final class SuperPositionQCP extends SuperPositionAbstract {
 
 	private static final Logger logger = LoggerFactory.getLogger(SuperPositionQCP.class);
 
-	private double evec_prec = 1E-3;
+	private double evec_prec = 1E-6;
 	private double eval_prec = 1E-11;
 
 	private Point3d[] x;
diff --git a/biojava-structure/src/test/java/org/biojava/nbio/structure/io/TestHardBioUnits.java b/biojava-structure/src/test/java/org/biojava/nbio/structure/io/TestHardBioUnits.java
@@ -107,6 +107,10 @@ public void test4A1I() throws IOException, StructureException {
 		String pdbId = "4A1I";
 		int biolAssemblyNr = 2;
 
+		AtomCache atomCache = new AtomCache();
+		// TODO there seem to be numerical instabilities when parsing BCIF
+		atomCache.setFiletype(StructureFiletype.CIF);
+		StructureIO.setAtomCache(atomCache);
 		Structure bioAssembly = StructureIO.getBiologicalAssembly(pdbId,biolAssemblyNr);
 
 		if ( bioAssembly == null){
