[gmx-developers] options file handling in master

[David van der Spoel]

Hi,

I'm trying to implement new analysis tools using Teemu's framework. For 
some reason this only supports a subset of all gromacs files, and uses 
new enumerated types to distinguish them. E.g.:

options->addOption(FileNameOption("sfac").filetype(eftGenericData)
                    .inputFile().required()
                    .store(&fnSfactor_).defaultBasename("sfactor")
                    .description("Structure factors"));

I would like this file to have the .xml extension, however in 
options/filenameoption.cpp we only have:

FileTypeRegistry::FileTypeRegistry()
{
     filetypes_.resize(eftOptionFileType_NR);
     registerType(eftTopology,    efTPS);
     registerType(eftTrajectory,  efTRX);
     registerType(eftPDB,         efPDB);
     registerType(eftIndex,       efNDX);
     registerType(eftPlot,        efXVG);
     registerType(eftGenericData, efDAT);
}

note that the eftXXX are different from efXXX in fileio/filenm.h.

Main question therefore is:
Why would we not allow all the old field types?

-- 
David van der Spoel, Ph.D., Professor of Biology
Dept. of Cell & Molec. Biol., Uppsala University.
Box 596, 75124 Uppsala, Sweden. Phone:	+46184714205.
spoel at xray.bmc.uu.se    http://folding.bmc.uu.se