Re: [Rdkit-discuss] Drawing options for the new drawing code to change background color
Open-Source Cheminformatics and Machine Learning
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From: Greg L. <gre...@gm...> - 2017-09-25 13:32:28
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I normally try to do this, yes. On Mon, Sep 25, 2017 at 3:27 PM, Michał Nowotka <mm...@gm...> wrote: > Perfect, are betas available via conda? > > On Mon, Sep 25, 2017 at 2:25 PM, Greg Landrum <gre...@gm...> > wrote: > > Correct. This, like a few other things I've pointed out, are still on > > master. > > The first beta of the 2017.09.1 release is coming this week. > > > > -greg > > > > > > On Mon, Sep 25, 2017 at 3:24 PM, Michał Nowotka <mm...@gm...> > wrote: > >> > >> Hmm, but the latest release (Release_2017_03_3) doesn't have this > >> function, right? > >> > >> Just tried it and got 'MolDrawOptions' object has no attribute > >> 'setBackgroundColour' :( > >> > >> On Sun, Sep 24, 2017 at 10:07 AM, Michał Nowotka <mm...@gm...> > wrote: > >> > Great, thanks a lot again :) > >> > > >> > On Sun, Sep 24, 2017 at 4:33 AM, Greg Landrum <gre...@gm... > > > >> > wrote: > >> >> As I was composing this email there was a voice in the back of my > head > >> >> saying "you can do that already...", but when I looked through the > code > >> >> for > >> >> "transparent" I didn't find anything, so I figured it was something > on > >> >> a > >> >> branch that just needed to be merged. > >> >> > >> >> 10 seconds after hitting "Send" (*after* the "undo send" option was > >> >> already > >> >> gone in gmail), I remembered that this is the "clearBackground" > drawing > >> >> option. If you set that option to False, then no background will be > >> >> drawn > >> >> (i.e. it will be transparent): > >> >> > >> >> In [21]: d2d = rdMolDraw2D.MolDraw2DCairo(300,300) > >> >> > >> >> In [22]: opts = d2d.drawOptions() > >> >> > >> >> In [23]: opts.clearBackground=False > >> >> > >> >> In [24]: d2d.DrawMolecule(dm) > >> >> > >> >> In [25]: d2d.FinishDrawing() > >> >> > >> >> > >> >> Best, > >> >> -greg > >> >> > >> >> > >> >> On Sun, Sep 24, 2017 at 5:25 AM, Greg Landrum < > gre...@gm...> > >> >> wrote: > >> >>> > >> >>> Hi Michal, > >> >>> > >> >>> This is now one of the draw options; > >> >>> > >> >>> In [3]: d2d = rdMolDraw2D.MolDraw2DSVG(300,300) > >> >>> > >> >>> In [4]: opts = d2d.drawOptions() > >> >>> > >> >>> In [6]: opts.setBackgroundColour((1,1,0)) > >> >>> > >> >>> > >> >>> You can set the default highlightColour the same way. > >> >>> > >> >>> There's not currently a "make it transparent" option, but that would > >> >>> be a > >> >>> nice thing for us to figure out how to do. I will take a look > >> >>> > >> >>> -greg > >> >>> > >> >>> > >> >>> On Wed, Sep 20, 2017 at 1:08 PM, Michał Nowotka <mm...@gm...> > >> >>> wrote: > >> >>>> > >> >>>> Hi, > >> >>>> > >> >>>> In the old drawing code it was possible to pass drawing options to > >> >>>> the > >> >>>> MolToImage method. > >> >>>> > >> >>>> Lookng at the C++ signature of the new DrawMolecule > >> >>>> > >> >>>> DrawMolecule( (MolDraw2D)self, (Mol)mol, (object)highlightAtoms, > >> >>>> (object)highlightBonds [, (object)highlightAtomColors=None [, > >> >>>> (object)highlightBondColors=None [, (object)highlightAtomRadii= > None > >> >>>> [, > >> >>>> (int)confId=-1 [, (str)legend='']]]]]) -> None > >> >>>> > >> >>>> I can see it's possible to change higlight colors but I need to be > >> >>>> able to change background color of the png image. I want to to be > >> >>>> transparent by default but I should be able to set it to any other > >> >>>> solid color, is that possible? > >> >>>> > >> >>>> Cheers, > >> >>>> Michał > >> >>>> > >> >>>> > >> >>>> > >> >>>> ------------------------------------------------------------ > ------------------ > >> >>>> Check out the vibrant tech community on one of the world's most > >> >>>> engaging tech sites, Slashdot.org! http://sdm.link/slashdot > >> >>>> _______________________________________________ > >> >>>> Rdkit-discuss mailing list > >> >>>> Rdk...@li... > >> >>>> https://lists.sourceforge.net/lists/listinfo/rdkit-discuss > >> >>> > >> >>> > >> >> > > > > > |