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Re: [Jmol-developers] how to modify circle color of element node
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From: Robert H. <ha...@st...> - 2014-08-16 23:17:05
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Unless you are doing very major changes, there is no need to modify classes. Just be sure you are operating on the trunk code and you keep it up to date. On Fri, Aug 15, 2014 at 7:36 PM, 胡瑞 <hur...@gm...> wrote: > OH I will not change anything on your original source code, but firstly, i > need test and understand jmol runing way, if i will start modify offically > i will extend your Class, modify original code is really bad way :( > Sir i am a new programmer, i don't know how to read your svn file, Could > you give me some advice > Thank you very much > > > 2014-08-16 8:15 GMT+08:00 Robert Hanson <ha...@st...>: > > 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 <ha...@st...> >> 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 <hur...@gm...> 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 <hur...@gm...>: >>>> >>>> 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 <ha...@st...>: >>>>> >>>>>> 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 >>>>>> Jmo...@li... >>>>>> https://lists.sourceforge.net/lists/listinfo/jmol-developers >>>>>> >>>>>> >>>>> >>>> >>>> >>>> ------------------------------------------------------------------------------ >>>> >>>> _______________________________________________ >>>> Jmol-developers mailing list >>>> Jmo...@li... >>>> 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 >> Jmo...@li... >> https://lists.sourceforge.net/lists/listinfo/jmol-developers >> >> > > > ------------------------------------------------------------------------------ > > _______________________________________________ > Jmol-developers mailing list > Jmo...@li... > 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 |