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__init__.py
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1 #------------------------------------------------------------------------------
2 # This file is part of the OpenStructure project <www.openstructure.org>
3 #
4 # Copyright (C) 2008-2011 by the OpenStructure authors
5 #
6 # This library is free software; you can redistribute it and/or modify it under
7 # the terms of the GNU Lesser General Public License as published by the Free
8 # Software Foundation; either version 3.0 of the License, or (at your option)
9 # any later version.
10 # This library is distributed in the hope that it will be useful, but WITHOUT
11 # ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS
12 # FOR A PARTICULAR PURPOSE. See the GNU Lesser General Public License for more
13 # details.
14 #
15 # You should have received a copy of the GNU Lesser General Public License
16 # along with this library; if not, write to the Free Software Foundation, Inc.,
17 # 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA
18 #------------------------------------------------------------------------------
19 from _ost_mol import *
20 import ost.geom as _geom
21 from ost.mol import alg
22 
23 
24 def Transform(tf=None):
25  from ost import LogWarning
26  if Transform.mol_transform_warning_flag:
27  LogWarning("mol.Transform is deprecated, please use geom.Transform instead")
28  Transform.mol_transform_warning_flag=False
29  if tf:
30  return _geom.Transform(tf)
31  else:
32  return _geom.Transform()
33 Transform.mol_transform_warning_flag=True
34 
35 def MergeCoordGroups(*coord_groups):
36  """
37  Merge several separate coord groups into one. The coord groups must have the
38  same number of atoms. In case no coord group is supplied, None will be
39  returned.
40  """
41  if len(coord_groups)==0:
42  return None
43  cg=CreateCoordGroup(coord_groups[0].atoms)
44  for coord_group in coord_groups:
45  cg.AddFrames(coord_group)
46  return cg