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Error occurs in smiles encoding containing @

Open a-die opened this issue 2 years ago • 1 comments

When I use the @ symbol in the smiles encoding for image synthesis, an error occurs.

File "D:\ProgramData\anaconda\envs\pytorch\lib\site-packages\rdkit\sping\pid.py", line 289, in stringBox return self.stringWidth(s, font), self.fontHeight(font) File "D:\ProgramData\anaconda\envs\pytorch\lib\site-packages\rdkit\sping\SVG\pidSVG.py", line 633, in stringWidth return pdfmetrics.stringwidth(s, fontname) * font.size * 0.001 File "D:\ProgramData\anaconda\envs\pytorch\lib\site-packages\rdkit\sping\PDF\pdfmetrics.py", line 320, in stringwidth w = w + widths[ord(char)] IndexError: list index out of range

I checked that it should be that the chiral molecule is not well written. What should I do?

a-die avatar Nov 05 '22 09:11 a-die