[Rdkit-devel] [PATCH 11/17] clean up MolDrawing import
Open-Source Cheminformatics and Machine Learning
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From: Gianluca S. <gi...@gm...> - 2011-03-19 09:44:41
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---
rdkit/Chem/Draw/__init__.py | 12 ++++++------
1 files changed, 6 insertions(+), 6 deletions(-)
diff --git a/rdkit/Chem/Draw/__init__.py b/rdkit/Chem/Draw/__init__.py
index cc2fe24..19b9a7d 100644
--- a/rdkit/Chem/Draw/__init__.py
+++ b/rdkit/Chem/Draw/__init__.py
@@ -5,7 +5,9 @@
#
import os.path
-def MolToImage(mol,size=(300,300),kekulize=True, wedgeBonds=True,**kwargs):
+from MolDrawing import MolDrawing
+
+def MolToImage(mol, size=(300,300), kekulize=True, wedgeBonds=True, **kwargs):
""" returns a PIL image containing a drawing of the molecule
Keyword arguments:
@@ -16,7 +18,6 @@ def MolToImage(mol,size=(300,300),kekulize=True, wedgeBonds=True,**kwargs):
"""
if not mol:
raise ValueError,'Null molecule provided'
- import MolDrawing
import Image
try:
from aggCanvas import Canvas
@@ -31,11 +32,11 @@ def MolToImage(mol,size=(300,300),kekulize=True, wedgeBonds=True,**kwargs):
from spingCanvas import Canvas
canvas = Canvas(size=size,name='MolToImageFile')
img = canvas._image
- drawer = MolDrawing.MolDrawing(canvas)
+ drawer = MolDrawing(canvas)
if useAGG or useCAIRO:
img = Image.new("RGBA",size,"white")
canvas = Canvas(img)
- drawer = MolDrawing.MolDrawing(canvas)
+ drawer = MolDrawing(canvas)
if kekulize:
from rdkit import Chem
@@ -62,7 +63,6 @@ def MolToFile(mol,fileName,size=(300,300),kekulize=True, wedgeBonds=True,
if not mol:
raise ValueError,'Null molecule provided'
- import MolDrawing
if imageType is None:
imageType=os.path.splitext(fileName)[1][1:]
try:
@@ -83,7 +83,7 @@ def MolToFile(mol,fileName,size=(300,300),kekulize=True, wedgeBonds=True,
elif imageType=="png":
from rdkit.sping.PIL.pidPIL import PILCanvas as Canvas
canvas = Canvas(size=size,name=fileName)
- drawer = MolDrawing.MolDrawing(canvas)
+ drawer = MolDrawing(canvas)
if kekulize:
from rdkit import Chem
mol = Chem.Mol(mol.ToBinary())
--
1.7.4
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