Hello,
I thought we had removed all of these by now. I'll open an issue and fix
the code.
Best,
Peter
On Tue, Dec 20, 2016 at 6:01 AM David Hall <li...@cowsandmilk.net> wrote:
> The replace and split methods were removed from the string module in
> python3. You can replace the code as follows:
>
> s = s.replace('\r\n', '\n')
> s = s.replace('\n\r', '\n')
> s = s.replace('\r', '\n')
> lines = s.split('\n')
>
>
> On Tue, Dec 20, 2016 at 2:45 AM, Pavel Polishchuk <
> pavel_polishc...@ukr.net> wrote:
>
> Hi,
>
> I try to print multiline legends for molecules in a grid and use the
> following code from notebook
>
> from rdkit import Chem
> from rdkit.Chem import Draw
> # from rdkit.Chem.Draw import IPythonConsole
>
> mols = [Chem.MolFromSmiles(s) for s in ["CCC", "CCCCC"]]
> legends = ["1\nCCC", "2\nCCCCC"]
> Draw.MolsToGridImage(mols, molsPerRow=5, subImgSize=(200,200),
> legends=legends)
>
> it returns error: AttributeError: module 'string' has no attribute
> 'replace' (full stack is below)
>
> If I uncomment IPythonConsole import then it returns the picture with
> labels, but with spaces instead of new line symbols.
>
> What can I do in this situation? RDKit 2016.03.2
>
> Kind regards,
> Pavel.
>
>
> ---------------------------------------------------------------------------AttributeError
> Traceback (most recent call
> last)<ipython-input-2-684f4abceace> in <module>() 1 mols =
> [Chem.MolFromSmiles(s) for s in ["CCC", "CCCCC"]] 2 legends = ["1\nCCC",
> "2\nCCCCC"]----> 3 p = Draw.MolsToGridImage(mols, molsPerRow=5,
> subImgSize=(200,200), legends=legends)
> /home/pavel/anaconda3/envs/my-rdkit-env/lib/python3.5/site-packages/rdkit/Chem/Draw/__init__.py
> in MolsToGridImage(mols, molsPerRow, subImgSize, legends,
> highlightAtomLists, useSVG, **kwargs) 387 else: 388 return
> _MolsToGridImage(mols,molsPerRow=molsPerRow,subImgSize=subImgSize,--> 389
> legends=legends, highlightAtomLists=highlightAtomLists, **kwargs)
> 390 391 def ReactionToImage(rxn, subImgSize=(200,200),**kwargs):
> /home/pavel/anaconda3/envs/my-rdkit-env/lib/python3.5/site-packages/rdkit/Chem/Draw/__init__.py
> in _MolsToGridImage(mols, molsPerRow, subImgSize, legends,
> highlightAtomLists, **kwargs) 334 highlights=highlightAtomLists[i]
> 335 if mol is not None:--> 336 img =
> _moltoimg(mol,subImgSize,highlights,legends[i],**kwargs) 337
> res.paste(img,(col*subImgSize[0],row*subImgSize[1])) 338 return res
> /home/pavel/anaconda3/envs/my-rdkit-env/lib/python3.5/site-packages/rdkit/Chem/Draw/__init__.py
> in _moltoimg(mol, sz, highlights, legend, **kwargs) 302 if not
> hasattr(rdMolDraw2D,'MolDraw2DCairo'): 303 img =
> MolToImage(mol,sz,legend=legend,highlightAtoms=highlights,--> 304
> **kwargs) 305 else: 306 nmol =
> rdMolDraw2D.PrepareMolForDrawing(mol,kekulize=kwargs.get('kekulize',True))
> /home/pavel/anaconda3/envs/my-rdkit-env/lib/python3.5/site-packages/rdkit/Chem/Draw/__init__.py
> in MolToImage(mol, size, kekulize, wedgeBonds, fitImage, options, canvas,
> **kwargs) 132 #
> color=(0,0,1),fill=False,stroke=True) 133
> font=Font(face='sans',size=12)--> 134
> canvas.addCanvasText(legend,pos,font) 135 136 if
> kwargs.get('returnCanvas',False):
> /home/pavel/anaconda3/envs/my-rdkit-env/lib/python3.5/site-packages/rdkit/Chem/Draw/spingCanvas.py
> in addCanvasText(self, text, pos, font, color, **kwargs) 72 labelP =
> pos[0]-txtWidth/2+offset,pos[1]+txtHeight/2 73 color =
> convertColor(color)---> 74
> self.canvas.drawString(text,labelP[0],labelP[1],font,color=color) 75
> return (bw,bh,offset) 76
> /home/pavel/anaconda3/envs/my-rdkit-env/lib/python3.5/site-packages/rdkit/sping/PIL/pidPIL.py
> in drawString(self, s, x, y, font, color, angle, **kwargs) 313 if
> '\n' in s or '\r' in s: 314 self.drawMultiLineString(s, x,y, font,
> color, angle,--> 315 **kwargs) 316
> return 317 if not font: font = self.defaultFont
> /home/pavel/anaconda3/envs/my-rdkit-env/lib/python3.5/site-packages/rdkit/sping/pid.py
> in drawMultiLineString(self, s, x, y, font, color, angle, **kwargs) 393
> dy = h * math.cos(angle*math.pi/180.0) 394
> dx = h * math.sin(angle*math.pi/180.0)--> 395 s =
> string.replace(s, '\r\n', '\n') 396 s = string.replace(s,
> '\n\r', '\n') 397 s = string.replace(s, '\r', '\n')
> AttributeError: module 'string' has no attribute 'replace'
>
>
>
>
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