本文整理匯總了Python中rdkit.Chem.Draw.MolDrawing.DrawingOptions.dblBondOffset方法的典型用法代碼示例。如果您正苦於以下問題:Python DrawingOptions.dblBondOffset方法的具體用法?Python DrawingOptions.dblBondOffset怎麽用?Python DrawingOptions.dblBondOffset使用的例子?那麽, 這裏精選的方法代碼示例或許可以為您提供幫助。您也可以進一步了解該方法所在類rdkit.Chem.Draw.MolDrawing.DrawingOptions
的用法示例。
在下文中一共展示了DrawingOptions.dblBondOffset方法的1個代碼示例,這些例子默認根據受歡迎程度排序。您可以為喜歡或者感覺有用的代碼點讚,您的評價將有助於係統推薦出更棒的Python代碼示例。
示例1: _mols2imageStream
# 需要導入模塊: from rdkit.Chem.Draw.MolDrawing import DrawingOptions [as 別名]
# 或者: from rdkit.Chem.Draw.MolDrawing.DrawingOptions import dblBondOffset [as 別名]
def _mols2imageStream(mols, f, format, size, legend, highlightMatch=None):
"""Return an input stream for the molecule as drawn"""
highlights = None
if highlightMatch:
pattern = MolFromSmarts(highlightMatch)
highlights = [mol.GetSubstructMatch(pattern) for mol in mols]
kek = True
if mols[0].HasProp("_drawingBondsWedged"):
kek=False
fit = False
options = DrawingOptions()
subim = (size,size)
if size >150:
subim = (size *2,size *2)
options.coordScale = 3
options.bondLineWidth = 3.6
options.dblBondOffset = 0.435
options.atomLabelFontSize = 60
if kek:
options.bondLineWidth = 4.5
options.dblBondOffset = 0.6
options.atomLabelFontSize = 150
fit = True
elif kek:
options.dblBondOffset = 0.4
image = Draw.MolsToGridImage(mols,molsPerRow=min(len(mols),4),subImgSize=subim,
kekulize=kek,highlightAtomLists=highlights, fitImage=fit,
options=options
)
image.save(f, format)