[Rdkit-devel] [PATCH 08/17] Move elemDict in the MolDrawing class.

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

This way each MolDrawing instance can have a custom style
---
 rdkit/Chem/Draw/MolDrawing.py |   28 +++++++++++++++-------------
 1 files changed, 15 insertions(+), 13 deletions(-)

diff --git a/rdkit/Chem/Draw/MolDrawing.py b/rdkit/Chem/Draw/MolDrawing.py
index 55059e9..0cc24b4 100644
--- a/rdkit/Chem/Draw/MolDrawing.py
+++ b/rdkit/Chem/Draw/MolDrawing.py
@@ -13,16 +13,7 @@ from rdkit import RDConfig
 import numpy
 import math
 
-elemDict={
-  7:(0,0,1),
-  8:(1,0,0),
-  9:(.2,.8,.8),
-  15:(1,.5,0),
-  16:(.8,.8,0),
-  17:(0,.8,0),
-  35:(.5,.3,.1),
-  0:(.5,.5,.5),
-  }
+
 
 class Font(object):
   face='sans'
@@ -61,6 +52,17 @@ class MolDrawing(object):
 
   wedgeDashedBonds=True
 
+  elemDict={
+    7:(0,0,1),
+    8:(1,0,0),
+    9:(.2,.8,.8),
+    15:(1,.5,0),
+    16:(.8,.8,0),
+    17:(0,.8,0),
+    35:(.5,.3,.1),
+    0:(.5,.5,.5),
+    }
+
   def __init__(self,canvas=None):
     self.canvas = canvas
     if canvas:
@@ -343,8 +345,8 @@ class MolDrawing(object):
           else:
             width=self.bondLineWidth
             if self.colorBonds:
-              color = elemDict.get(atom.GetAtomicNum(),(0,0,0))
-              color2 = elemDict.get(nbr.GetAtomicNum(),(0,0,0))
+              color = self.elemDict.get(atom.GetAtomicNum(),(0,0,0))
+              color2 = self.elemDict.get(nbr.GetAtomicNum(),(0,0,0))
             else:
               color = self.defaultColor
               color2= color
@@ -397,7 +399,7 @@ class MolDrawing(object):
           else:
             symbol = '%s%s%s'%(chg,hs,base)
 
-        color = elemDict.get(atom.GetAtomicNum(),(0,0,0))
+        color = self.elemDict.get(atom.GetAtomicNum(),(0,0,0))
         self._drawLabel(symbol,pos,font,color=color,
                         highlightIt=(highlightAtoms and idx in highlightAtoms))
 
-- 
1.7.4