From d9685272fedcd47a59f8cd756ac3be62c9850563 Mon Sep 17 00:00:00 2001
From: Tobias Schmidt <tobias.schmidt@unibas.ch>
Date: Fri, 13 May 2011 17:19:56 +0200
Subject: [PATCH] msms binding: automatically attach entity to calculated
surface
---
modules/bindings/pymod/msms.py | 9 +++++++--
1 file changed, 7 insertions(+), 2 deletions(-)
diff --git a/modules/bindings/pymod/msms.py b/modules/bindings/pymod/msms.py
index 92f9494cf..fc50ff1c7 100644
--- a/modules/bindings/pymod/msms.py
+++ b/modules/bindings/pymod/msms.py
@@ -317,11 +317,16 @@ def CalculateSurface(entity, density=1.0, radius=1.5, all_surf=False,
num_surf=int(line.split()[2])
# get surfaces
+ entity_sel = entity.Select(selection)
msms_surfaces=[]
- msms_surfaces.append(io.LoadSurface(msms_data_file, "msms"))
+ s = io.LoadSurface(msms_data_file, "msms")
+ s.Attach(entity_sel, 3+radius)
+ msms_surfaces.append(s)
for n in range(1,num_surf+1):
filename=msms_data_file+'_'+str(n)
- msms_surfaces.append(io.LoadSurface(filename, "msms"))
+ s = io.LoadSurface(filename, "msms")
+ s.Attach(entity_sel, 3+radius)
+ msms_surfaces.append(s)
# clean up
if not keep_files:
--
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