[Rdkit-discuss] multiline legend in MolsToGridImage

[Pavel P. <pav...@uk...>]

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"]----> 3p = 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, --> 
389legends=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:--> 336img = 
_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)--> 
134canvas.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/273 color = 
convertColor(color)---> 
74self.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 return317 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)--> 395s = 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'