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From: Kai L. <kai...@un...> - 2006-01-10 20:54:45
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Hi All, the cvs server seems to be quite busy this evening: I couldn't get the changes in the Quantities. I will try this again tomorrow morning. Sorry, Kai > Hi, > I have done some changes in Quantities to prepare for some important > additional functionality. I have just uploaded some changes to cvs. > Please get the files with an update. > Bernd > > P.S.: Kai will make some concurrent changes in some EChem++ files - so > you should also get these later today. > > -- > =3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D= =3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D= =3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D > Bernd Speiser > Institut f"ur Organische Chemie > Auf der Morgenstelle 18 > D-72076 T"ubingen > Germany > phone: +49-7071-2976205 (office) +49-7071-2976242 (laboratory) > fax: +49-7071-295518 > e-mail: ber...@un... > Internet: http://www.uni-tuebingen.de/speiser > =3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D= =3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D= =3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D > > > ------------------------------------------------------- > This SF.net email is sponsored by: Splunk Inc. Do you grep through log > files > for problems? Stop! Download the new AJAX search engine that makes > searching your log files as easy as surfing the web. DOWNLOAD SPLUNK! > http://ads.osdn.com/?ad_id=3D7637&alloc_id=3D16865&op=3Dclick > _______________________________________________ > Echempp-devel mailing list > Ech...@li... > https://lists.sourceforge.net/lists/listinfo/echempp-devel > --=20 http://echempp.sourceforge.net Kai Ludwig Institut f=FCr Organische Chemie Auf der Morgenstelle 18 72076 T=FCbingen Mail: kai...@un... |
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From: <ber...@t-...> - 2006-01-10 17:16:57
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Hi, I have done some changes in Quantities to prepare for some important additional functionality. I have just uploaded some changes to cvs. Please get the files with an update. Bernd P.S.: Kai will make some concurrent changes in some EChem++ files - so you should also get these later today. -- ======================================================================= Bernd Speiser Institut f"ur Organische Chemie Auf der Morgenstelle 18 D-72076 T"ubingen Germany phone: +49-7071-2976205 (office) +49-7071-2976242 (laboratory) fax: +49-7071-295518 e-mail: ber...@un... Internet: http://www.uni-tuebingen.de/speiser ======================================================================= |
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From: Kai L. <kai...@un...> - 2006-01-10 16:48:25
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hi all, I've just uploaded some few changes + bugfixes to cvs. please do a top level update. Kai --=20 http://echempp.sourceforge.net Kai Ludwig Institut f=FCr Organische Chemie Auf der Morgenstelle 18 72076 T=FCbingen Mail: kai...@un... |
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From: Kai L. <kai...@un...> - 2006-01-10 09:13:19
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Hello Bernd, thanks for testing... I'll check all your comments (quite a lot :) in the next days. However, I couldn't reproduce some of your problems (see below). Therefore, due to the "technical" problems, could you do a complete and fresh installation: top level "make clean" + remove all epp-libraries from your <prefix>/lib directory. Then run a top level "make install". Please tell me if something has changed. > (1) I can easily and quickly start model from my > /home/bs/software/EChem++ directory, however, if I try to start from my >home directory, the program uses up all resources of the notebook, and even >after several minutes, I do not get anything more than an empty frame. If I >try to start from /home/bs/software or > /home/bs/some_other_dir it seems to be somehow intermediate. I can run the model-exe from my <prefix>/bin directory (after "make install" !!) without any problems. Today, I have created a link to this program on my desktop and it still starts quickly and works as expected. (certainly, we need a complete installation docu for the frist release, but this is still in work) However, the wrapper script in the GUI/Windows/Qt/EChem++/Model directory seems to need all system resources at launch time. So please, use the freshly installed executable in your <prefix>/bin directory for all subsequent tests. I will try to find something about the wrapper. > (2) I can use > xxx> model >& /dev/null & > to start the program in the background and sending all message output t= o >the null device. This is very good, since it could be used with an icon, >avoiding all the messages being printed to some window. Ok - that is a proper possibility when calling the GUI from the console. However, the user won't see any messages neither, when starting the exe from a graphical icon on his desktop. > (3) I like the Help->About page. However, if you go to Help->Contents, >most of the links in the html page do not work. It seems to me that all the >`external' pages do not work. For example, if I want to go to the EChem++ >web page (line 2 of about), the link is wrong: > >/home/bs/software/EChem++/documentation/html/http:/sourceforge.net/pro= jects/echempp >is certainly not correct. Of course, `http://...' etc. is the link in the >EChem++ documentation page, but here this should not be appended to the >EPP_HELPSRC path! > > (4) In the Help->Contents menu, the navigation tools work nicely. However, >File->Exit does not work (nothing happens). work in progress... there are a lot of other details that do not work by now within the help browser. However, the file->exit should work with the actual cvs version. > (5) If I enlarge the main window to full screen size, the numbers >recording the window size in the left hand menu start to oscillate, the >program uses up not really all, but a lot of the resources of the computer, >and even after decreasing the size the same numbers (in my case 1217x881 >pixels) remain in the left hand menu. Oszillation is between 1217 and 1218. >this is true, regardless of a graph being present on the screen or not. I cannot reproduce this. Please check if this still occurs after a fresh installation and with the <prefix>/bin/model program. > (6) In the main menu, at the beginning, under the heading Edit, both >entries, `remove ...' and `deactivate ...' are active, although no graph is >present yet. This should, I think, only be activated after a graph is >displayed in the main window. ok. > > (7) In a similar way, File->Save should only be active if some data are >already present. ok. > (8) Same for File->print and File->export ok. > (9) Under heading Definitions at the beginning only Geometry is active. >However, isn't mechanism independent of the geometry, and it should make no >difference if the user starts with mechanism definition and then defines >`geometry' or vice versa? Maybe there is a technical reason, but for the >user this is not obvious. the mechanism depends on the boundary indices wthin the model geometry, since all heterogeneous chemcical reactions must be linked to these boundaries. (will be included in the user-doc) > (10) By the way: what we define under heading Definitions->Geometry is not >only the geometry but also some additional things, e.g. the > excitation function, which has not really something to do with the >geometry (the only link is that the excitation function has to be bound to >a boundary ...). In the light of the discussion between me and Kai, the >main heading here could be Definitions->Experiment, and then we could >accomodate the various definitions of the excitation function, the > geometry, and maybe in some future version even the collection of som= e > more or less complex experiments. right - the dialog is somehow deprecated. I'll change the name to "Experiment". > (11) The selection menu CV/CS/UD should maybe read `user defined' for the >third entry. There is enough space to write this, and UD is > certainly not an obvious acronym for the novice user. ok. > (13) If I open the Definitions->Mechanism dialog, I see a default >mechnaism which is rather complex. Could we have here a VERY simple case, >if we want to have something at all? We could also provide users with a >couple of example files, which they can load in the beginning to have >example formulations in contrast to heving this rather arbitrary mechanism. ok. the example is due to some old testing of the compiler. > (14) If we start the Definitions->Model parameters dialog, some entries >contain default values, some don't. This is misleading for the novice. >Either all or none of the entries should have defaults, or there should be >at least a consistent pattern. > > (15) Unfortunately, my first experience of defining an exc.fct. etc. >resulted in an excitation function error: Out of range, when trying to >simulate. I used the mirror and the repeat function ... ;-( did you press "append" after mirror? check for the scan number in the upper right corner. Alain is currently preparing an user docu - that may help. > (16) OK, the second approach (only one scan in CV, no repeat or mirror) >works fine. :-) There are a couple of inconsistencies in the > concentration profile graph, but I can't repeat them, because after >increasing this window to full size, I again have a frozen application. not reproducible. > (17) Simulating a CV (simple one electron ET, almost reversible) with both >concentrations of A and B equal to 0.001 M (0 -> 0.8 V; E0 =3D 0.5 V) causes >heavy oscillations at the beginning. This is probably a numerical problem, >which could be avoided by using other solver settings (would I say), but >for the novice again, this looks a little > disappointing. Let's provide people with a couple of `good' examples which >work. that is indeed a numerical/modeling problem comparable to CA simulations. The product is initially present and is reduced immediately at the beginning of the experiment (=3D> inconsistent initial values). Do you know, how DigiSim behaves in such a situation? As with CA experiments, you should choose a very small initial time step in order to get rid of the oscillations. However, as you know, by now, the CA simulations have not been tested quantitatively! Regards, Kai --=20 http://echempp.sourceforge.net Kai Ludwig Institut f=FCr Organische Chemie Auf der Morgenstelle 18 72076 T=FCbingen Mail: kai...@un... |
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From: <ber...@t-...> - 2006-01-10 08:39:32
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Hi, one more question: we have now the model and experiment excecutables. Is it correct that the experiment exec and the path Definitions->Geometry->ExcitationFunctionDefinition are just two alternative access possibilities to the same functionality? These two execs truly follow our general `module' strategy. However, we still have to think about some kind of `integration' of the two into one common program (the `master EChem++'). Bernd -- ======================================================================= Bernd Speiser Institut f"ur Organische Chemie Auf der Morgenstelle 18 D-72076 T"ubingen Germany phone: +49-7071-2976205 (office) +49-7071-2976242 (laboratory) fax: +49-7071-295518 e-mail: ber...@un... Internet: http://www.uni-tuebingen.de/speiser ======================================================================= |
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From: <ber...@t-...> - 2006-01-10 08:34:57
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Hi, I have some additional suggestion regarding the help system of EChem++. In the moment, if we use help->contents (I start from model in this case), we go directly to the EChem++ html documentation, which starts with some explanatory text. However, users may want to look for quite different types of information when using a help button. Three items come to my mind: (1) an explanation of background ideas (this is what we provide directly in the moment) (2) technical details (which now can be accessed throught eh doxygen created buttons at the top of the html pages), but also (3) some explanation of the window, they are working in. The latter we do not provide at all in the moment, indeed this is probably what a new user really wants to have first. Say, `now I am here in this window, and there are these three control buttons, what do they do???' For example, the control buttons in the left hand side column of the model main window are not immediately clear to me. How could we support this? In the windows which we reach from the main window buttons, we have a help button, where we can place such information (it could again be html code, as we use for the other documentation, but we should decide where we put the text in our source tree). But how about the main window itself? Should we have a separate heading in the Help menu, except Contents, Index etc.? Say, Context Help, or something like this? Bernd -- ======================================================================= Bernd Speiser Institut f"ur Organische Chemie Auf der Morgenstelle 18 D-72076 T"ubingen Germany phone: +49-7071-2976205 (office) +49-7071-2976242 (laboratory) fax: +49-7071-295518 e-mail: ber...@un... Internet: http://www.uni-tuebingen.de/speiser ======================================================================= |
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From: <ber...@t-...> - 2006-01-10 08:23:27
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Alain Millers wrote: Alain, >> (5) If I enlarge the main window to full screen size, the numbers >> recording the window size in the left hand menu start to oscillate, >> the program uses up not really all, but a lot of the resources of the >> computer, and even after decreasing the size the same numbers (in my >> case 1217x881 pixels) remain in the left hand menu. Oszillation is >> between 1217 and 1218. This is true, regardless of a graph being >> present on the screen or not. > > > in welchem main window? ./experimnents? actually, this happened in the model main window. >> (11) The selection menu CV/CS/UD should maybe read `user defined' for >> the third entry. There is enough space to write this, and UD is >> certainly not an obvious acronym for the novice user. > > > okay mache ich morgen früh! Thanks! > >> >> (12) Would it be possible to include into the excitation function graph >> some indication of the quantity and the unit of the axes? >> > eigentlich stehen diese sowohl rechts oben als auch neben der > einstellbaren achse größe, aber außerhalb vom pixmap. ins pixmap diese > reinzuschreiben wäre aber eigentlich kein problem... > ok, I almost overlooked the quantities and units. Indeed, I would thinks it's more convenient to have it (also) in the pixmap. One more thing: x/y in the start/end/ticks labels is also not so convenient, better would be to use the symbol of the respective quantity. >> (15) Unfortunately, my first experience of defining an exc.fct. etc. >> resulted in an excitation function error: Out of range, when trying to >> simulate. I used the mirror and the repeat function ... ;-( > > > ist der crash im experiment GUI passiert? > No, this happend from the model window, when I ran the simulation. >> >> (16) OK, the second approach (only one scan in CV, no repeat or mirror) >> works fine. :-) There are a couple of inconsistencies in the >> concentration profile graph, but I can't repeat them, because after >> increasing this window to full size, I again have a frozen application. >> > ist der crash im experiment (wieder :)GUI passiert? Again, as before. Alain, maybe send your comments also to the mailing list, so we get it backed up. Regards Bernd -- ======================================================================= Bernd Speiser Institut f"ur Organische Chemie Auf der Morgenstelle 18 D-72076 T"ubingen Germany phone: +49-7071-2976205 (office) +49-7071-2976242 (laboratory) fax: +49-7071-295518 e-mail: ber...@un... Internet: http://www.uni-tuebingen.de/speiser ======================================================================= |
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From: <ber...@t-...> - 2006-01-09 22:25:15
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Hi, I have installed the most recent model version. Here are some comments from a novice user which has not much experience yet with the GUI. Some things are quite good and convenient. In the moment, however, unfortunately, I still find a couple of problems, most of which I would guess can be changed easily. (1) I can easily and quickly start model from my /home/bs/software/EChem++ directory, however, if I try to start from my home directory, the program uses up all resources of the notebook, and even after several minutes, I do not get anything more than an empty frame. If I try to start from /home/bs/software or /home/bs/some_other_dir it seems to be somehow intermediate. (2) I can use xxx> model >& /dev/null & to start the program in the background and sending all message output to the null device. This is very good, since it could be used with an icon, avoiding all the messages being printed to some window. (3) I like the Help->About page. However, if you go to Help->Contents, most of the links in the html page do not work. It seems to me that all the `external' pages do not work. For example, if I want to go to the EChem++ web page (line 2 of about), the link is wrong: /home/bs/software/EChem++/documentation/html/http:/sourceforge.net/projects/echempp is certainly not correct. Of course, `http://...' etc. is the link in the EChem++ documentation page, but here this should not be appended to the EPP_HELPSRC path! (4) In the Help->Contents menu, the navigation tools work nicely. However, File->Exit does not work (nothing happens). (5) If I enlarge the main window to full screen size, the numbers recording the window size in the left hand menu start to oscillate, the program uses up not really all, but a lot of the resources of the computer, and even after decreasing the size the same numbers (in my case 1217x881 pixels) remain in the left hand menu. Oszillation is between 1217 and 1218. This is true, regardless of a graph being present on the screen or not. (6) In the main menu, at the beginning, under the heading Edit, both entries, `remove ...' and `deactivate ...' are active, although no graph is present yet. This should, I think, only be activated after a graph is displayed in the main window. (7) In a similar way, File->Save should only be active if some data are already present. (8) Same for File->print and File->export (9) Under heading Definitions at the beginning only Geometry is active. However, isn't mechanism independent of the geometry, and it should make no difference if the user starts with mechanism definition and then defines `geometry' or vice versa? Maybe there is a technical reason, but for the user this is not obvious. (10) By the way: what we define under heading Definitions->Geometry is not only the geometry but also some additional things, e.g. the excitation function, which has not really something to do with the geometry (the only link is that the excitation function has to be bound to a boundary ...). In the light of the discussion between me and Kai, the main heading here could be Definitions->Experiment, and then we could accomodate the various definitions of the excitation function, the geometry, and maybe in some future version even the collection of some more or less complex experiments. (11) The selection menu CV/CS/UD should maybe read `user defined' for the third entry. There is enough space to write this, and UD is certainly not an obvious acronym for the novice user. (12) Would it be possible to include into the excitation function graph some indication of the quantity and the unit of the axes? (13) If I open the Definitions->Mechanism dialog, I see a default mechnaism which is rather complex. Could we have here a VERY simple case, if we want to have something at all? We could also provide users with a couple of example files, which they can load in the beginning to have example formulations in contrast to heving this rather arbitrary mechanism. (14) If we start the Definitions->Model parameters dialog, some entries contain default values, some don't. This is misleading for the novice. Either all or none of the entries should have defaults, or there should be at least a consistent pattern. (15) Unfortunately, my first experience of defining an exc.fct. etc. resulted in an excitation function error: Out of range, when trying to simulate. I used the mirror and the repeat function ... ;-( (16) OK, the second approach (only one scan in CV, no repeat or mirror) works fine. :-) There are a couple of inconsistencies in the concentration profile graph, but I can't repeat them, because after increasing this window to full size, I again have a frozen application. (17) Simulating a CV (simple one electron ET, almost reversible) with both concentrations of A and B equal to 0.001 M (0 -> 0.8 V; E0 = 0.5 V) causes heavy oscillations at the beginning. This is probably a numerical problem, which could be avoided by using other solver settings (would I say), but for the novice again, this looks a little disappointing. Let's provide people with a couple of `good' examples which work. OK, here I stop testing. I think that this is maybe a little unfair, since I just write about all the little problems that I encounter without mentioning all the things that really work ... Sorry, this is not what I mean, and not fair. But I just put myself into the shoes of a person trying to use the program for the first time. I am quite sure that many of these problems are due to the fact that if another person starts to use a program, he/she does it a little different from the routines used by the programmer. Then, all these funny actions happen ... So, don't be mad at me. I would guess that working out some of the problems is probably quite easy. Other items are certainly a matter of debate. Let me know your ideas. Best regards Bernd -- ======================================================================= Bernd Speiser Institut f"ur Organische Chemie Auf der Morgenstelle 18 D-72076 T"ubingen Germany phone: +49-7071-2976205 (office) +49-7071-2976242 (laboratory) fax: +49-7071-295518 e-mail: ber...@un... Internet: http://www.uni-tuebingen.de/speiser ======================================================================= |
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From: Kai L. <kai...@un...> - 2006-01-09 16:15:28
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> Bernd Speiser wrote: >> Hi all, >> I have remove a couple of empty and now useless directories in the >> EChem++ tree (and also the Quantities tree). Please make a top level >> update for both of these trees if you want to get rid of them. >> Best regards >> Bernd >> > Actually, I think you will have to make an update -P Note that currently, you'll need empty ".ui" and ".moc" directories in the GUI/Windows/Qt/EChem++/Model and Experiment directories. You won't get them from cvs with checkout -P! So don't use the -P option when doing a fresh checkout. By the way - can anyone give me some Makefile-lines that check if directories are present: if no --> create directory if yes --> do nothing that would avoid the problem with empty dirs. Rg, Kai > Bernd > > -- > =3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D= =3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D= =3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D > Bernd Speiser > Institut f"ur Organische Chemie > Auf der Morgenstelle 18 > D-72076 T"ubingen > Germany > phone: +49-7071-2976205 (office) +49-7071-2976242 (laboratory) > fax: +49-7071-295518 > e-mail: ber...@un... > Internet: http://www.uni-tuebingen.de/speiser > =3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D= =3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D= =3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D > > > ------------------------------------------------------- > This SF.net email is sponsored by: Splunk Inc. Do you grep through log > files > for problems? Stop! Download the new AJAX search engine that makes > searching your log files as easy as surfing the web. DOWNLOAD SPLUNK! > http://ads.osdn.com/?ad_id=3D7637&alloc_id=3D16865&op=3Dclick > _______________________________________________ > Echempp-devel mailing list > Ech...@li... > https://lists.sourceforge.net/lists/listinfo/echempp-devel > --=20 http://echempp.sourceforge.net Kai Ludwig Institut f=FCr Organische Chemie Auf der Morgenstelle 18 72076 T=FCbingen Mail: kai...@un... |
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From: Kai L. <kai...@un...> - 2006-01-09 12:35:11
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Hi All, please check out the GUI directory. In GUI/Windows/Qt/EChem++ you will find a new helper class (icons.hpp) that defines a static load() function. Calling this function, i.e. Icons::load(), in your program will load the project icons located in the GUI/Windows/Qt/EChem++/images directory to the Qt's QMimeSourceFactory. After that, you can use the icons as QPixmaps by calling e.g. QPixmap::fromMimeSource( "profile.png" ); Regards, Kai --=20 http://echempp.sourceforge.net Kai Ludwig Institut f=FCr Organische Chemie Auf der Morgenstelle 18 72076 T=FCbingen Mail: kai...@un... |
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From: Kai L. <kai...@un...> - 2006-01-08 17:02:19
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>> Mh - that is strange. I will check this today (maybe a next >> commit will follow in the evening) > > > OK, please check. Bernd, I think you've to run GUI/configure in order to update the EPP_HELPSRC variable. See the #define HELP_PATH statement in the GUI/config.h header, which is created by the configure script. Kai --=20 http://echempp.sourceforge.net Kai Ludwig Institut f=FCr Organische Chemie Auf der Morgenstelle 18 72076 T=FCbingen Tel.: +49-7071-29-73049 Mail: kai...@un... |
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From: <ber...@t-...> - 2006-01-08 15:24:33
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Kai Ludwig wrote: Kai, > Mh - that is strange. I will check this today (maybe a next > commit will follow in the evening) OK, please check. > >>Also, when I now try to start model, everything is EXTREMELY slow. Even >>after several minutes, I don't get the full interface (there is a window >>border, but nothing appears inside). What could that be? > > > Where do you start the program? > In your <prefix>/bin directory (after a "make install"), > or in the GUI/Windows/Qt/EChem++/Model directory? > I've observed that it is indeed slower to launch > it from the GUI/Windows/Qt/EChem++/Model dir. No idea why. I started from <prefix>/bin, however, now, after a recompilation and re-installation, it seems ok. Maybe I had a non-compatible shared lib. By the way, the help->About looks great!! Bernd -- ======================================================================= Bernd Speiser Institut f"ur Organische Chemie Auf der Morgenstelle 18 D-72076 T"ubingen Germany phone: +49-7071-2976205 (office) +49-7071-2976242 (laboratory) fax: +49-7071-295518 e-mail: ber...@un... Internet: http://www.uni-tuebingen.de/speiser ======================================================================= |
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From: Kai L. <kai...@un...> - 2006-01-08 13:03:34
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> Actually, my path is ok: > > /home/bs> printenv EPP_HELPSRC > /home/bs/software/EChem++/documentation/html > /home/bs> model > cd ~/echempp ...... ok > ~/echempp/.internals ... ok > ~/echempp/data ... ok > QTextBrowser: no mimesource for > /home/bs/software/EChem++/documentation/help/main.html > > I suspect that the path is not evaluated properly in the program, is > that possible? Mh - that is strange. I will check this today (maybe a next commit will follow in the evening) > Also, when I now try to start model, everything is EXTREMELY slow. Even > after several minutes, I don't get the full interface (there is a windo= w > border, but nothing appears inside). What could that be? Where do you start the program? In your <prefix>/bin directory (after a "make install"), or in the GUI/Windows/Qt/EChem++/Model directory? I've observed that it is indeed slower to launch it from the GUI/Windows/Qt/EChem++/Model dir. No idea why. Kai --=20 http://echempp.sourceforge.net Kai Ludwig Institut f=FCr Organische Chemie Auf der Morgenstelle 18 72076 T=FCbingen Tel.: +49-7071-29-73049 Mail: kai...@un... |
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From: <ber...@t-...> - 2006-01-08 10:25:08
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Kai Ludwig wrote: Kai, > > Ok, actually that's not critical. However, > we must port the code for icon pictures > from the model dir to the experiment dir. > Alternatively, I'll think about a more general > solution... > > OK, will you do this and then upload it? >>bzw. >> >>software/EChem++> model >>cd ~/echempp ...... ok >>~/echempp/.internals ... ok >>~/echempp/data ... ok >>QTextBrowser: no mimesource for >>/home/bs/software/EChem++/documentation/help/main.html > > > You're using a wrong path to the top level EChem++ > documentation. > You should use "html" instead of "help", > e.g. > > .../echempp/documentation/html/main.html Actually, my path is ok: /home/bs> printenv EPP_HELPSRC /home/bs/software/EChem++/documentation/html /home/bs> model cd ~/echempp ...... ok ~/echempp/.internals ... ok ~/echempp/data ... ok QTextBrowser: no mimesource for /home/bs/software/EChem++/documentation/help/main.html I suspect that the path is not evaluated properly in the program, is that possible? Also, when I now try to start model, everything is EXTREMELY slow. Even after several minutes, I don't get the full interface (there is a window border, but nothing appears inside). What could that be? Best wishes Bernd -- ======================================================================= Bernd Speiser Institut f"ur Organische Chemie Auf der Morgenstelle 18 D-72076 T"ubingen Germany phone: +49-7071-2976205 (office) +49-7071-2976242 (laboratory) fax: +49-7071-295518 e-mail: ber...@un... Internet: http://www.uni-tuebingen.de/speiser ======================================================================= |
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From: Kai L. <kai...@un...> - 2006-01-07 15:51:40
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> Hi all, > indeed compilation is now ok, at least on my notebook. > I hope Alain's link problem now also disappears. > > Running model or experiment, however, I get some warning > > software/EChem++> experiment > QPixmap::fromMimeSource: Cannot find pixmap "filenew" in the mime sourc= e > factory > QPixmap::fromMimeSource: Cannot find pixmap "fileopen" in the mime > source factory > QPixmap::fromMimeSource: Cannot find pixmap "filesave" in the mime > source factory > QPixmap::fromMimeSource: Cannot find pixmap "print" in the mime source > factory > QPixmap::fromMimeSource: Cannot find pixmap "undo" in the mime source > factory > QPixmap::fromMimeSource: Cannot find pixmap "redo" in the mime source > factory > QPixmap::fromMimeSource: Cannot find pixmap "editcut" in the mime sourc= e > factory > QPixmap::fromMimeSource: Cannot find pixmap "editcopy" in the mime > source factory > QPixmap::fromMimeSource: Cannot find pixmap "editpaste" in the mime > source factory > QPixmap::fromMimeSource: Cannot find pixmap "searchfind" in the mime > source factory Ok, actually that's not critical. However, we must port the code for icon pictures from the model dir to the experiment dir. Alternatively, I'll think about a more general solution... > > bzw. > > software/EChem++> model > cd ~/echempp ...... ok > ~/echempp/.internals ... ok > ~/echempp/data ... ok > QTextBrowser: no mimesource for > /home/bs/software/EChem++/documentation/help/main.html You're using a wrong path to the top level EChem++ documentation. You should use "html" instead of "help", e.g. .../echempp/documentation/html/main.html Have a nice weekend! Kai --=20 http://echempp.sourceforge.net Kai Ludwig Institut f=FCr Organische Chemie Auf der Morgenstelle 18 72076 T=FCbingen Tel.: +49-7071-29-73049 Mail: kai...@un... |
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From: <ber...@t-...> - 2006-01-07 08:13:15
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Hi all, indeed compilation is now ok, at least on my notebook. I hope Alain's link problem now also disappears. Running model or experiment, however, I get some warning software/EChem++> experiment QPixmap::fromMimeSource: Cannot find pixmap "filenew" in the mime source factory QPixmap::fromMimeSource: Cannot find pixmap "fileopen" in the mime source factory QPixmap::fromMimeSource: Cannot find pixmap "filesave" in the mime source factory QPixmap::fromMimeSource: Cannot find pixmap "print" in the mime source factory QPixmap::fromMimeSource: Cannot find pixmap "undo" in the mime source factory QPixmap::fromMimeSource: Cannot find pixmap "redo" in the mime source factory QPixmap::fromMimeSource: Cannot find pixmap "editcut" in the mime source factory QPixmap::fromMimeSource: Cannot find pixmap "editcopy" in the mime source factory QPixmap::fromMimeSource: Cannot find pixmap "editpaste" in the mime source factory QPixmap::fromMimeSource: Cannot find pixmap "searchfind" in the mime source factory bzw. software/EChem++> model cd ~/echempp ...... ok ~/echempp/.internals ... ok ~/echempp/data ... ok QTextBrowser: no mimesource for /home/bs/software/EChem++/documentation/help/main.html Any idea??? Regards Bernd -- ======================================================================= Bernd Speiser Institut f"ur Organische Chemie Auf der Morgenstelle 18 D-72076 T"ubingen Germany phone: +49-7071-2976205 (office) +49-7071-2976242 (laboratory) fax: +49-7071-295518 e-mail: ber...@un... Internet: http://www.uni-tuebingen.de/speiser ======================================================================= |
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From: Kai L. <kai...@un...> - 2006-01-06 21:55:39
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> OOps! > Sorry. I just uploaded all the TinyXml files. > Kai, could you please check if you can now compile > (a) BSUtilities > (b) Quantities (after update) > (c) EChem++ (after update) > and/or fidn the same linker error Alain does Hi All, now everything seems to work properly. I have uploaded all relevant files. Regards, Kai --=20 http://echempp.sourceforge.net Kai Ludwig Institut f=FCr Organische Chemie Auf der Morgenstelle 18 72076 T=FCbingen Tel.: +49-7071-29-73049 Mail: kai...@un... |
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From: <ber...@t-...> - 2006-01-06 16:25:38
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OOps! Sorry. I just uploaded all the TinyXml files. Kai, could you please check if you can now compile (a) BSUtilities (b) Quantities (after update) (c) EChem++ (after update) and/or fidn the same linker error Alain does Regards Bernd -------- Original Message -------- Subject: Re: [Echempp-devel] TinyXml vs. libxml++ Date: Fri, 6 Jan 2006 13:03:38 +0100 (CET) From: Kai Ludwig <kai...@un...> Reply-To: kai...@un... To: ber...@un... References: <43A...@un...> Hallo Bernd, ich habe gerade ein checkout der BSUtlilities und Quantities gemacht. Wenn man BSUtilities compiliert erhaelt man den Fehler. g++ -DPACKAGE_NAME=\"\" -DPACKAGE_TARNAME=\"\" -DPACKAGE_VERSION=\"\" -DPACKAGE_STRING=\"\" -DPACKAGE_BUGREPORT=\"\" -DPACKAGE=\"BSUtilities\" -DVERSION=\"0.5\" -DSTDC_HEADERS=1 -DHAVE_SYS_TYPES_H=1 -DHAVE_SYS_STAT_H=1 -DHAVE_STDLIB_H=1 -DHAVE_STRING_H=1 -DHAVE_MEMORY_H=1 -DHAVE_STRINGS_H=1 -DHAVE_INTTYPES_H=1 -DHAVE_STDINT_H=1 -DHAVE_UNISTD_H=1 -DHAVE_DLFCN_H=1 -I. -I. -I/usr/local/include/loki-03.07.2005 -Wall -Werror -W -pedantic -Wno-format -DTIXML_USE_STL=1 -MT libBSUtilities_la-xmlReader.lo -MD -MP -MF .deps/libBSUtilities_la-xmlReader.Tpo -c xmlReader.cc -fPIC -DPIC -o .libs/libBSUtilities_la-xmlReader.o In file included from xmlReader.cc:30: xmlReader.h:32:29: tinyxml/tinyxml.h: No such file or directory tatsaechlich ist das Verzeichnis tinyxml/ noch nicht auf dem cvs-Server. Außerdem steht im README noch die libxml++ als Prerequisites. Gruss, Kai > Dear all, > > I have just uploaded new versions of > (a) BSUtilities > (b) ExcitationFunction > (c) Experiment > in which all code referring to libxml++ was substituted by code that > uses TinyXml for loading data from XML. > This avoids the lengthy installation of libxml++ (icnluding various > gnome libraries). > Please note that you have to update all code that references the old > libxml++ related functions. > Please also note that code that contains TinyXml code and that uses the > STL must be compiled with -DTIXML_USE_STL=YES added to the CXXFLAGS! > Change your Makefile.am accordingly. > Have a nice christmas and a happy New Year > Bernd > > -- > ======================================================================= > Bernd Speiser > Institut f"ur Organische Chemie > Auf der Morgenstelle 18 > D-72076 T"ubingen > Germany > phone: +49-7071-2976205 (office) +49-7071-2976242 (laboratory) > fax: +49-7071-295518 > e-mail: ber...@un... > Internet: http://www.uni-tuebingen.de/speiser > ======================================================================= > > > ------------------------------------------------------- > This SF.net email is sponsored by: Splunk Inc. Do you grep through log > files > for problems? Stop! Download the new AJAX search engine that makes > searching your log files as easy as surfing the web. DOWNLOAD SPLUNK! > http://ads.osdn.com/?ad_id=7637&alloc_id=16865&op=click > _______________________________________________ > Echempp-devel mailing list > Ech...@li... > https://lists.sourceforge.net/lists/listinfo/echempp-devel > -- http://echempp.sourceforge.net Kai Ludwig Institut für Organische Chemie Auf der Morgenstelle 18 72076 Tübingen Tel.: +49-7071-29-73049 Mail: kai...@un... -- ======================================================================= Bernd Speiser Institut f"ur Organische Chemie Auf der Morgenstelle 18 D-72076 T"ubingen Germany phone: +49-7071-2976205 (office) +49-7071-2976242 (laboratory) fax: +49-7071-295518 e-mail: ber...@un... Internet: http://www.uni-tuebingen.de/speiser ======================================================================= |
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From: <ber...@t-...> - 2006-01-04 18:22:30
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Hi all, we had a now obsolete save for ExcitationFunctions in excitationFunctions.hpp. I have commented out this function. Please use the newer version in xmlwriter: BSUtilities::xmlw::save (filename, object) This automatically selects the save function according to the type of object which must of course have such a save () member. Best regards Bernd -- ======================================================================= Bernd Speiser Institut f"ur Organische Chemie Auf der Morgenstelle 18 D-72076 T"ubingen Germany phone: +49-7071-2976205 (office) +49-7071-2976242 (laboratory) fax: +49-7071-295518 e-mail: ber...@un... Internet: http://www.uni-tuebingen.de/speiser ======================================================================= |
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From: <ber...@t-...> - 2006-01-04 13:19:48
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Hi all, I have added the STL support flag for TinyXML to a couple of Makefile.am files within the EChem++ tree, and uploaded the new versions to the CVS server. Alain had observed a couple of nasty compile errors, if this flag is missing. In such a case, the compiler complains about missing functions from the TinyXml distribution with STL-type parameters. If you find such errors, please let me know with the sub-tree in which the problem happens. Best regards Bernd -- ======================================================================= Bernd Speiser Institut f"ur Organische Chemie Auf der Morgenstelle 18 D-72076 T"ubingen Germany phone: +49-7071-2976205 (office) +49-7071-2976242 (laboratory) fax: +49-7071-295518 e-mail: ber...@un... Internet: http://www.uni-tuebingen.de/speiser ======================================================================= |
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From: <ber...@t-...> - 2006-01-03 17:45:32
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Bernd Speiser wrote: > Hi all, > I have remove a couple of empty and now useless directories in the > EChem++ tree (and also the Quantities tree). Please make a top level > update for both of these trees if you want to get rid of them. > Best regards > Bernd > Actually, I think you will have to make an update -P Bernd -- ======================================================================= Bernd Speiser Institut f"ur Organische Chemie Auf der Morgenstelle 18 D-72076 T"ubingen Germany phone: +49-7071-2976205 (office) +49-7071-2976242 (laboratory) fax: +49-7071-295518 e-mail: ber...@un... Internet: http://www.uni-tuebingen.de/speiser ======================================================================= |
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From: <ber...@t-...> - 2006-01-03 17:41:19
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Hi all, I have remove a couple of empty and now useless directories in the EChem++ tree (and also the Quantities tree). Please make a top level update for both of these trees if you want to get rid of them. Best regards Bernd -- ======================================================================= Bernd Speiser Institut f"ur Organische Chemie Auf der Morgenstelle 18 D-72076 T"ubingen Germany phone: +49-7071-2976205 (office) +49-7071-2976242 (laboratory) fax: +49-7071-295518 e-mail: ber...@un... Internet: http://www.uni-tuebingen.de/speiser ======================================================================= |
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From: <ber...@t-...> - 2005-12-23 23:14:11
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Dear all, I have just uploaded new versions of (a) BSUtilities (b) ExcitationFunction (c) Experiment in which all code referring to libxml++ was substituted by code that uses TinyXml for loading data from XML. This avoids the lengthy installation of libxml++ (icnluding various gnome libraries). Please note that you have to update all code that references the old libxml++ related functions. Please also note that code that contains TinyXml code and that uses the STL must be compiled with -DTIXML_USE_STL=YES added to the CXXFLAGS! Change your Makefile.am accordingly. Have a nice christmas and a happy New Year Bernd -- ======================================================================= Bernd Speiser Institut f"ur Organische Chemie Auf der Morgenstelle 18 D-72076 T"ubingen Germany phone: +49-7071-2976205 (office) +49-7071-2976242 (laboratory) fax: +49-7071-295518 e-mail: ber...@un... Internet: http://www.uni-tuebingen.de/speiser ======================================================================= |
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From: <ber...@t-...> - 2005-12-21 08:05:17
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Dear all, I have just uploaded to the cvs server an extension of the BSUtilities library: the XmlWriter now contains a save function in namespace xmlw, which takes a std::string (the filename) and the object to be saved in xml format and does all the stream handling. The only prerequisite is that the object defines a save (XmlStream &) member function. This makes code for writing much shorter. Best regards Bernd -- ======================================================================= Bernd Speiser Institut f"ur Organische Chemie Auf der Morgenstelle 18 D-72076 T"ubingen Germany phone: +49-7071-2976205 (office) +49-7071-2976242 (laboratory) fax: +49-7071-295518 e-mail: ber...@un... Internet: http://www.uni-tuebingen.de/speiser ======================================================================= |
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From: Kai L. <kai...@un...> - 2005-12-10 20:49:34
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Hi All, since Alain and me started to finish the excitation function GUIs (a complete and stable version will be available at the end of next week), the GUI/Windows/Qt/EChem++/Experiment directory is now built by the autotools. I put all icons into a new directory named 'GUI/Windows/Qt/EChem++/images'. For future developments, all Qt-Windows can access them there. Also some other classes have changed. Please do 1) a top level checkout 2) point the EPP_ICONSRC to the new icon directory 3) run ./bootstrap in GUI 4) run make install from top Cheers, Kai --=20 http://echempp.sourceforge.net Kai Ludwig Institut f=FCr Organische Chemie Auf der Morgenstelle 18 72076 T=FCbingen Tel.: +49-7071-29-73049 Mail: kai...@un... |
