Hi Chris, Of course it will be nice if you create a custom Parameter and a JComponent for that (in a similar fashion as the BatchQueueParameter/BatchSetupComponent), but I think the same functionality can be achieved by simply adding a new FileParameter to the AdductSearchParameters. The file parameter would point to the custom adducts list file, and the filename would be automatically saved so the user does not need to locate the file repeatedly (as long as the file stays in the same place).
By the way, It would be also nice if the addut import could recognize adducts not only in the numerical form (mass), but also in the form of chemical formula (H2 = 2 hydrogens, H-1 = removal of one hydrogen). The mass can be then calculated automatically from the formula using FormulaUtils. Cheers, Tomas On Feb 13, 2012, at 1:34 PM, Pudney Chris (ext) GBJH wrote: > G'day, > > I'm working on an enhancement to the Adduct search module. > > Currently, it provides a default set of adducts the user can select from > plus the ability to add a single custom adduct. > > We'd like to be able to easily add multiple custom adducts loaded from a > (CSV) file. > > I'm thinking that the best way to do this would be to provide a > "Load..." button that allows the user to choose the CSV file from which > the custom adducts are loaded. Once loaded they should remain part of > the MZmine configuration so that the user doesn't have reload the file > each time they run MZmine. > > I could also add a "Reset" button that returns the list of adducts to > the original default set. > > I'd appreciate thoughts and comments on the implementation of this feature. > > Thanks, > Chris. > > > > This message may contain confidential information. If you are not the > designated recipient, please notify the sender immediately, and delete the > original and any copies. Any use of the message by you is prohibited. > > > > ------------------------------------------------------------------------------ > Try before you buy = See our experts in action! > The most comprehensive online learning library for Microsoft developers > is just $99.99! Visual Studio, SharePoint, SQL - plus HTML5, CSS3, MVC3, > Metro Style Apps, more. Free future releases when you subscribe now! > http://p.sf.net/sfu/learndevnow-dev2 > _______________________________________________ > Mzmine-devel mailing list > Mzmine-devel@lists.sourceforge.net > https://lists.sourceforge.net/lists/listinfo/mzmine-devel > =============================================== Tomas Pluskal G0 Cell Unit, Okinawa Institute of Science and Technology Graduate University 1919-1 Tancha, Onna-son, Okinawa 904-0495, Japan TEL: +81-98-966-8684 ------------------------------------------------------------------------------ Try before you buy = See our experts in action! The most comprehensive online learning library for Microsoft developers is just $99.99! Visual Studio, SharePoint, SQL - plus HTML5, CSS3, MVC3, Metro Style Apps, more. Free future releases when you subscribe now! http://p.sf.net/sfu/learndevnow-dev2 _______________________________________________ Mzmine-devel mailing list Mzmine-devel@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/mzmine-devel
