From: Rajarshi G. <rg...@in...> - 2007-11-21 12:26:40
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On Nov 21, 2007, at 2:22 AM, Egon Willighagen wrote: > On Nov 21, 2007 8:06 AM, Egon Willighagen > <ego...@gm...> wrote: >> Some comments... I assume many of these really apply to the original >> code too, and this is not meant as personal critique... but the >> current code really needs to be shaped up. > > And regarding the JUnit test... > > - a test method must not catch exception, but have a "throws > Exception" > - use the CDKHydrogenAdder How does one use this class to add explicit hydrogens? The only methods I can see add implicit hydrogens ------------------------------------------------------------------- Rajarshi Guha <rg...@in...> GPG Fingerprint: 0CCA 8EE2 2EEB 25E2 AB04 06F7 1BB9 E634 9B87 56EE ------------------------------------------------------------------- Does Ramanujan know Polish? -- E.B. Ross |