Afraid that doesn't work. SMILESFormat only implements IChemFormat, not IChemFormatMatcher.
Tim On 15/01/2015 11:51, Egon Willighagen wrote: > On Thu, Jan 15, 2015 at 12:39 PM, Tim Dudgeon <[email protected]> wrote: >> OK, will use IteratingSMILESReader, but the basic problem of format >> detection remains. >> FormatFactory.guessFormat() does not seem to recognise smiles, and >> presumably wouldn't return IteratingSMILESReader (or IteratingSDFReader) >> anyway. > Correct, this is the one format that is specifically excluded. The > problem with .smi files is that it is too easily recognizes as other > chemical formats... the format is ill-defined, and allows for comments > and sorts, which gave problems. > > You should, though I didn't test it right now, be able to to "add" the > SMILES format to the factory with: > > public void registerFormat(IChemFormatMatcher format)... > > So, please try: > > formatFactory.registerFormat(SMILESFormat.getInstance()) > > And then do the detection. > > Egon > ------------------------------------------------------------------------------ Download BIRT iHub F-Type - The Free Enterprise-Grade BIRT Server from Actuate! Instantly Supercharge Your Business Reports and Dashboards with Interactivity, Sharing, Native Excel Exports, App Integration & more Get technology previously reserved for billion-dollar corporations, FREE http://pubads.g.doubleclick.net/gampad/clk?id=190641631&iu=/4140/ostg.clktrk _______________________________________________ Cdk-user mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/cdk-user
