本文整理汇总了Python中rdkit.Chem.Draw.MolDrawing.DrawingOptions.atomLabelMinFontSize方法的典型用法代码示例。如果您正苦于以下问题:Python DrawingOptions.atomLabelMinFontSize方法的具体用法?Python DrawingOptions.atomLabelMinFontSize怎么用?Python DrawingOptions.atomLabelMinFontSize使用的例子?那么, 这里精选的方法代码示例或许可以为您提供帮助。您也可以进一步了解该方法所在类rdkit.Chem.Draw.MolDrawing.DrawingOptions
的用法示例。
在下文中一共展示了DrawingOptions.atomLabelMinFontSize方法的1个代码示例,这些例子默认根据受欢迎程度排序。您可以为喜欢或者感觉有用的代码点赞,您的评价将有助于系统推荐出更棒的Python代码示例。
示例1: __call__
# 需要导入模块: from rdkit.Chem.Draw.MolDrawing import DrawingOptions [as 别名]
# 或者: from rdkit.Chem.Draw.MolDrawing.DrawingOptions import atomLabelMinFontSize [as 别名]
def __call__(self, arg):
res = list(arg)
if self.verbose:
sys.stderr.write('Render(%d): %s\n' % (self.smiCol, str(res[0])))
smi = res[self.smiCol]
aspect = 1
width = self.width
height = aspect * width
try:
mol = Chem.MolFromSmiles(smi)
Chem.Kekulize(mol)
canv = Canvas((width, height))
options = DrawingOptions()
options.atomLabelMinFontSize = 3
options.bondLineWidth = 0.5
drawing = MolDrawing(options=options)
if not mol.GetNumConformers():
rdDepictor.Compute2DCoords(mol)
drawing.AddMol(mol, canvas=canv)
ok = True
except Exception:
if self.verbose:
import traceback
traceback.print_exc()
ok = False
if ok:
res[self.smiCol] = canv.drawing
else:
# FIX: maybe include smiles here in a Paragraph?
res[self.smiCol] = 'Failed'
return res