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Published 20 hours ago • verified publisher icon BALL-Project

Create More thorough MOL2File tests

Open anhi opened this issue 10 years ago • 5 comments

Reported by dstoeckel on 8 May 40675186 05:20 UTC MOL2 is a complex file format. The current tests only handle a subset of the specification and do not test for general coding conventions. Because of this we should add more advanced tests to our test suite.

anhi avatar Feb 20 '15 02:02 anhi

Commented by akdehof on 18 Feb 40936057 23:19 UTC Deferred to 1.4.1

anhi avatar Feb 20 '15 06:02 anhi

Commented by Marcel on 23 Apr 41129930 09:34 UTC AtomTypes will be tested by a GAFFTypeProcessor_test, thus there are no tests to be added for MOL2File.

anhi avatar Feb 20 '15 06:02 anhi

Commented by anhi on 6 Nov 41131720 14:10 UTC The tests should still be improved. Reopening this bug.

anhi avatar Feb 20 '15 06:02 anhi

Commented by bkneissl on 18 Oct 41131733 06:14 UTC Matthias Dietzen will give us MOL2Files for testing

anhi avatar Feb 20 '15 06:02 anhi

Commented by dstoeckel on 20 Oct 41343527 15:14 UTC Defer to 1.5

anhi avatar Feb 20 '15 06:02 anhi