It sounds like you are a new contributor to Jmol. Terrific! We could use someone who wants to make the Gaussian input dialog better. No one has worked on that for a long time. Before you go too far on your own, though, why not request features? It would be unwise to start changing the code in Viewer, especially, because I regularly work on that, and what I do may break what you do. And you may not think of the implications something has, the way I can if I help you.
I just checked in a much more interesting Gaussian input dialog. I hope you like it. Note that: -- tabs are gone; "advanced" simply right side of a JSplitPane -- refresh button is new; cancel button is now "close" -- when you use the model kit to modify the structure, the input file is updated -- when you click on an atom, that atom is selected and highlighted on the input file -- when you click on a line in the input file, the atom is highlighted -- when you change input parameters, the input file is updated -- when you load a new model, the input file is updated Bob On Fri, Aug 15, 2014 at 6:21 PM, 胡瑞 <huruid...@gmail.com> wrote: > Oh, sir I find there is a assignAtom function which allocate in the > ModelSet Class(Figure 1) > i fund two method will call this function, as i say in the photo there are > all in the script package, but i just click gui and i don't input any > script command. Am i going a right way ? > > > 2014-08-16 5:48 GMT+08:00 胡瑞 <huruid...@gmail.com>: > > Thank you sir, i had saw those documents which use by script, That script >> just show me how to operate it. However, i need to modify jmol java source >> code and add a new function, i have a simple demo (Figure1). That function >> will provide many possible options to user to choice. But how to recored >> user choice? Recoding index of element is very important.I still can't find >> the core function in the jmol opensource,Could you tell me the point of >> package and core class? >> Jmol sourse code is a huge project, i spend one month on this opensource >> code, many of them i can understand , some of them look so complicated. >> >> >> >> 2014-08-16 5:06 GMT+08:00 Robert Hanson <hans...@stolaf.edu>: >> >>> Dear 胡瑞 >>> >>> see below >>> >>> [translation] >>> It is great to know that you have a Chinese team [to understand my point >>> in Chinese]. Maybe I had not expressed myself well. I am student at >>> University of New Haven, and my supervisor has asked me to add a new >>> functionality on top of Jmol. Did you remember that Jmol has a menu item >>> for "Export Gaussian Input file"? The "advance" option can record the data >>> on display. When I add element at the main menu, I must first switch [to >>> the submenu?] to change options in "advance". When I add a new structure, >>> my results are sorted in order by default (see Figure 1, where the 2nd C >>> should be at the 5th position) . How do I get the data in original order? >>> >>> The second question is how to record which element is clicked by a user. >>> This info is useful to restore to the previous state. I am not familiar >>> with scripting languages. However, browsing the source code shows me that >>> many functionalities are achieved by filtering strings, which is quite >>> general strategy. I wish your team could provide a detailed documentation. >>> There is very limit such info on the Internet. I need to know in detail the >>> functionality of each class. >>> [/translation] >>> >>> Order: There is no order sorting. The order is file order. But I see >>> what you mean. There is a bug there, and I will look into it. I like the >>> idea very much of being able to edit the model and see changes in the >>> Gaussian advanced tab. Is that what you are interested in? I have never >>> thought of doing that. >>> >>> Documentation for scripting is at http://chemapps.stolaf.edu/jmol/docs >>> There is probably no need to do any actual Java programming -- you can do a >>> lot with Jmol scripting. For example, you can run your own functions >>> whenever atoms are clicked. Look up information on "callbacks" >>> http://chemapps.stolaf.edu/jmol/docs/?search=callback >>> >>> No promises I can continue in Chinese -- do try English! :) >>> >>> Bob Hanson >>> >>> >>> >>> >>> >>> >>> >>> >>> ------------------------------------------------------------------------------ >>> >>> _______________________________________________ >>> Jmol-developers mailing list >>> Jmol-developers@lists.sourceforge.net >>> https://lists.sourceforge.net/lists/listinfo/jmol-developers >>> >>> >> > > > ------------------------------------------------------------------------------ > > _______________________________________________ > Jmol-developers mailing list > Jmol-developers@lists.sourceforge.net > https://lists.sourceforge.net/lists/listinfo/jmol-developers > > -- Robert M. Hanson Larson-Anderson Professor of Chemistry Chair, Department of Chemistry St. Olaf College Northfield, MN http://www.stolaf.edu/people/hansonr If nature does not answer first what we want, it is better to take what answer we get. -- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900
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