OpenStructure
__init__.py
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4 # Copyright (C) 2008-2020 by the OpenStructure authors
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6 # This library is free software; you can redistribute it and/or modify it under
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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
DLLEXPORT_OST_MOL CoordGroupHandle CreateCoordGroup(const AtomHandleList &atoms)
def MergeCoordGroups(*coord_groups)
Definition: __init__.py:35
geom::Transform Transform
Definition: transform.hh:5