Changeset 5fef0d7 for algorithms.py

Timestamp:

09/02/10 10:25:36 (14 years ago)

Author:

Jan Meinke <j.meinke@…>

Branches:

master

Children:

225475c

Parents:

3fbbfbb

Message:

Changed module name from smmp to smmp_p.

Fixed conversion to residue and atom names.

File:

• algorithms.py (modified) (2 diffs)

algorithms.py

@@ -6 +6 @@
 import copy
 import random
-import smmp
+import smmp_p as smmp
 from math import *
 from universe import *
@@ -58 +58 @@
         """Performs a single Monte Carlo sweep."""
         eol = self.__univ.energy()
-        eol, self.__acc = smmp.metropolis(eol, self.__acc, self.__weight)
-        #eol = self.metropolis()
+        #eol, self.__acc = smmp.metropolis(eol, self.__acc, self.__weight)
+        eol = self.metropolis()
         self.__performedSweeps += 1
         if eol < self.__minEnergy: