[Rdkit-devel] [PATCH 17/17] Allow passing a Canvas object to MolToImage().

[Gianluca S. <gi...@gm...>]

Use cairo based Canvas by default
---
 rdkit/Chem/Draw/__init__.py |   31 ++++++++++++++++---------------
 1 files changed, 16 insertions(+), 15 deletions(-)

diff --git a/rdkit/Chem/Draw/__init__.py b/rdkit/Chem/Draw/__init__.py
index e42eb64..ac1df88 100644
--- a/rdkit/Chem/Draw/__init__.py
+++ b/rdkit/Chem/Draw/__init__.py
@@ -7,7 +7,8 @@ import os.path
 
 from MolDrawing import MolDrawing
 
-def MolToImage(mol, size=(300,300), kekulize=True, wedgeBonds=True, **kwargs):
+def MolToImage(mol, size=(300,300), kekulize=True, wedgeBonds=True,
+               canvas=None, **kwargs):
   """ returns a PIL image containing a drawing of the molecule
 
     Keyword arguments:
@@ -19,25 +20,25 @@ def MolToImage(mol, size=(300,300), kekulize=True, wedgeBonds=True, **kwargs):
   """
   if not mol:
     raise ValueError,'Null molecule provided'
-  import Image
-  try:
-    from aggCanvas import Canvas
-    useAGG=True
-  except ImportError:
+  if canvas is None:
+    import Image
     useAGG=False
+    useCAIRO=False
     try:
       from cairoCanvas import Canvas
       useCAIRO=True
     except ImportError:
-      useCAIRO=False
-      from spingCanvas import Canvas
-      canvas = Canvas(size=size,name='MolToImageFile')
-      img = canvas._image
-      drawer = MolDrawing(canvas)
-  if useAGG or useCAIRO:
-    img = Image.new("RGBA",size,"white")
-    canvas = Canvas(img)
-    drawer = MolDrawing(canvas)
+      try:
+        from aggCanvas import Canvas
+        useAGG=True
+      except ImportError:
+        from spingCanvas import Canvas
+        canvas = Canvas(size=size,name='MolToImageFile')
+        img = canvas._image
+    if useAGG or useCAIRO:
+      img = Image.new("RGBA",size,"white")
+      canvas = Canvas(img)
+  drawer = MolDrawing(canvas)
 
   if kekulize:
     from rdkit import Chem
-- 
1.7.4