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
<mailto: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 <mailto: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"]----> 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'
------------------------------------------------------------------------------
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Access to Intel Xeon Phi processor-based developer platforms.
With one year of Intel Parallel Studio XE.
Training and support from Colfax.
Order your platform
today.http://sdm.link/intel_______________________________________________
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Rdkit-discuss@lists.sourceforge.net
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