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implement #8793 (#8796)

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Co-authored-by: ptosco <paolo.tosco@novartis.com>
This commit is contained in:
Paolo Tosco
2025-09-23 06:13:08 +02:00
committed by GitHub
parent cded6cc4e0
commit e65d8cbcb4
1 changed files with 13 additions and 10 deletions
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23
rdkit/Chem/PandasTools.py
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@@ -543,21 +543,22 @@ def SaveXlsxFromFrame(frame, outFile, molCol='ROMol', size=(300, 300), formats=N
worksheet.write_string(0, col_idx, col)
for row_idx, (_, row) in enumerate(frame.iterrows()):
have_img = False
row_idx_actual = row_idx + 1
worksheet.set_row(row_idx_actual, height=size[1]) # looks like height is not in px?
for col_idx, col in enumerate(cols):
if col_idx in molCol_indices:
image_data = BytesIO()
m = row[col]
img = Draw.MolToImage(m if isinstance(m, Chem.Mol) else Chem.Mol(), size=size,
options=drawOptions)
img.save(image_data, format='PNG')
worksheet.insert_image(row_idx_actual, col_idx, "f", {'image_data': image_data})
worksheet.set_column(col_idx, col_idx,
width=size[0] / 6.) # looks like height is not in px?
elif str(dataTypes[col]) == "object":
if isinstance(m, Chem.Mol):
have_img = True
img = Draw.MolToImage(m if isinstance(m, Chem.Mol) else Chem.Mol(), size=size,
options=drawOptions)
img.save(image_data, format='PNG')
worksheet.insert_image(row_idx_actual, col_idx, "f", {'image_data': image_data})
worksheet.set_column(col_idx, col_idx,
width=size[0] / 6.) # looks like height is not in px?
continue
if str(dataTypes[col]) == "object":
# string length is limited in xlsx
worksheet.write_string(row_idx_actual, col_idx,
str(row[col])[:32000], cell_formats['write_string'])
@@ -566,6 +567,8 @@ def SaveXlsxFromFrame(frame, outFile, molCol='ROMol', size=(300, 300), formats=N
worksheet.write_number(row_idx_actual, col_idx, row[col], cell_formats['write_number'])
elif 'datetime' in str(dataTypes[col]):
worksheet.write_datetime(row_idx_actual, col_idx, row[col], cell_formats['write_datetime'])
if have_img:
worksheet.set_row(row_idx_actual, height=size[1]) # looks like height is not in px?
workbook.close()
image_data.close()