ps -- make sure you are checking out svn.code.sf.net/p/jmol/code/trunk/Jmol
On Fri, Aug 15, 2014 at 7:14 PM, Robert Hanson <hans...@stolaf.edu> wrote: > 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 > > -- 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
------------------------------------------------------------------------------
_______________________________________________ Jmol-developers mailing list Jmol-developers@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/jmol-developers
