Re: [PyMOL] Performance of extended commands vs python function
OK thanks. I haven't seen such performance differences before and couldn't reproduce it so far. Could you share your script (and data files if possible) with me? Thanks, Thomas > On Dec 16, 2019, at 5:42 PM, Lorenzo Gaifas wrote: > > Yes, it does. Both cases are with the GUI and ewual graphical representation. > > On Mon, Dec 16, 2019, 17:37 Thomas Holder > wrote: > Hi Lorenzo, > > When you say "run from a python script", is that with the graphical GUI? That > "instant update", does that include instant update of visual representations? > > Thanks, > Thomas > > > > On Dec 13, 2019, at 12:55 PM, Lorenzo Gaifas wrote: > > > > Dear Pymol users, > > > > I just discovered something I did not expect: the same python function can > > have extremely different performance when called as a python function or > > using the pymol api. > > > > To be more specific: I have a function func that (among other things) uses > > cmd.alter several times over a big system to change the properties and > > representation. > > > > If I run it calling func() from a python script, its effects are almost > > instant. If I call it with cmd.do('func') (or directly from within pymol > > with func), it’s extremely slow (up to 10 seconds) and Pymol freezes > > completely during this time. > > > > I expected this to be due to an overhead of the api itself, but when I do > > the same thing with a simpler function, I see no noticeable difference. > > > > Why exactly is this happening? And more importantly, how can I get the > > performance of func even when I call it from within pymol? > > > > Thank you, > > Lorenzo > > > > ___ > > PyMOL-users mailing list > > Archives: http://www.mail-archive.com/pymol-users@lists.sourceforge.net > > Unsubscribe: > > https://sourceforge.net/projects/pymol/lists/pymol-users/unsubscribe > > -- > Thomas Holder > PyMOL Principal Developer > Schrödinger, Inc. > -- Thomas Holder PyMOL Principal Developer Schrödinger, Inc. ___ PyMOL-users mailing list Archives: http://www.mail-archive.com/pymol-users@lists.sourceforge.net Unsubscribe: https://sourceforge.net/projects/pymol/lists/pymol-users/unsubscribe
Re: [PyMOL] Performance of extended commands vs python function
Yes, it does. Both cases are with the GUI and ewual graphical representation. On Mon, Dec 16, 2019, 17:37 Thomas Holder wrote: > Hi Lorenzo, > > When you say "run from a python script", is that with the graphical GUI? > That "instant update", does that include instant update of visual > representations? > > Thanks, > Thomas > > > > On Dec 13, 2019, at 12:55 PM, Lorenzo Gaifas wrote: > > > > Dear Pymol users, > > > > I just discovered something I did not expect: the same python function > can have extremely different performance when called as a python function > or using the pymol api. > > > > To be more specific: I have a function func that (among other things) > uses cmd.alter several times over a big system to change the properties and > representation. > > > > If I run it calling func() from a python script, its effects are almost > instant. If I call it with cmd.do('func') (or directly from within pymol > with func), it’s extremely slow (up to 10 seconds) and Pymol freezes > completely during this time. > > > > I expected this to be due to an overhead of the api itself, but when I > do the same thing with a simpler function, I see no noticeable difference. > > > > Why exactly is this happening? And more importantly, how can I get the > performance of func even when I call it from within pymol? > > > > Thank you, > > Lorenzo > > > > ___ > > PyMOL-users mailing list > > Archives: http://www.mail-archive.com/pymol-users@lists.sourceforge.net > > Unsubscribe: > https://sourceforge.net/projects/pymol/lists/pymol-users/unsubscribe > > -- > Thomas Holder > PyMOL Principal Developer > Schrödinger, Inc. > > ___ PyMOL-users mailing list Archives: http://www.mail-archive.com/pymol-users@lists.sourceforge.net Unsubscribe: https://sourceforge.net/projects/pymol/lists/pymol-users/unsubscribe
Re: [PyMOL] Performance of extended commands vs python function
Hi Lorenzo, When you say "run from a python script", is that with the graphical GUI? That "instant update", does that include instant update of visual representations? Thanks, Thomas > On Dec 13, 2019, at 12:55 PM, Lorenzo Gaifas wrote: > > Dear Pymol users, > > I just discovered something I did not expect: the same python function can > have extremely different performance when called as a python function or > using the pymol api. > > To be more specific: I have a function func that (among other things) uses > cmd.alter several times over a big system to change the properties and > representation. > > If I run it calling func() from a python script, its effects are almost > instant. If I call it with cmd.do('func') (or directly from within pymol with > func), it’s extremely slow (up to 10 seconds) and Pymol freezes completely > during this time. > > I expected this to be due to an overhead of the api itself, but when I do the > same thing with a simpler function, I see no noticeable difference. > > Why exactly is this happening? And more importantly, how can I get the > performance of func even when I call it from within pymol? > > Thank you, > Lorenzo > > ___ > PyMOL-users mailing list > Archives: http://www.mail-archive.com/pymol-users@lists.sourceforge.net > Unsubscribe: > https://sourceforge.net/projects/pymol/lists/pymol-users/unsubscribe -- Thomas Holder PyMOL Principal Developer Schrödinger, Inc. ___ PyMOL-users mailing list Archives: http://www.mail-archive.com/pymol-users@lists.sourceforge.net Unsubscribe: https://sourceforge.net/projects/pymol/lists/pymol-users/unsubscribe