fixed hanging bug (infinite loop caused by invalid cell)

git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@490 a1961a4f-ab94-4bcc-80e8-33b5a54de466

src/DistanceMap.cpp

@@ -87,15 +87,21 @@ clipper::Coord_orth DistanceMap::CalculateOffsetForCell(const Structure& p, cons
 	auto calculateD = [&](float m, float c)
 	auto calculateD = [&](float m, float c)
 	{
 	{
 		float d = 0;
 		float d = 0;
+		if (c != 0)
+		{
 			while (m + d < -(c / 2))
 			while (m + d < -(c / 2))
 				d += c;
 				d += c;
 			while (m + d > (c / 2))
 			while (m + d > (c / 2))
 				d -= c;
 				d -= c;
+		}
 		return d;
 		return d;
 	};
 	};
 
 
 	Point D;
 	Point D;
 
 
+	if (cell.a() == 0 or cell.b() == 0 or cell.c() == 0)
+		throw runtime_error("Invalid cell, contains a dimension that is zero");
+
 	D.mX = calculateD(mx, cell.a());
 	D.mX = calculateD(mx, cell.a());
 	D.mY = calculateD(my, cell.b());
 	D.mY = calculateD(my, cell.b());
 	D.mZ = calculateD(mz, cell.c());
 	D.mZ = calculateD(mz, cell.c());

src/Symmetry.cpp

@@ -76,13 +76,20 @@ clipper::Coord_orth CalculateOffsetForCell(const Structure& p, const clipper::Sp
 	auto calculateD = [&](float m, float c)
 	auto calculateD = [&](float m, float c)
 	{
 	{
 		float d = 0;
 		float d = 0;
+		assert(c != 0);
+		if (c != 0)
+		{
 			while (m + d < -(c / 2))
 			while (m + d < -(c / 2))
 				d += c;
 				d += c;
 			while (m + d > (c / 2))
 			while (m + d > (c / 2))
 				d -= c;
 				d -= c;
+		}
 		return d;
 		return d;
 	};
 	};
 
 
+	if (cell.a() == 0 or cell.b() == 0 or cell.c() == 0)
+		throw runtime_error("Invalid cell, contains a dimension that is zero");
+
 	Point D;
 	Point D;
 
 
 	D.mX = calculateD(mx, cell.a());
 	D.mX = calculateD(mx, cell.a());