1 # Copyright (C) 2007-2014 CEA/DEN, EDF R&D, OPEN CASCADE
3 # This library is free software; you can redistribute it and/or
4 # modify it under the terms of the GNU Lesser General Public
5 # License as published by the Free Software Foundation; either
6 # version 2.1 of the License, or (at your option) any later version.
8 # This library is distributed in the hope that it will be useful,
9 # but WITHOUT ANY WARRANTY; without even the implied warranty of
10 # MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
11 # Lesser General Public License for more details.
13 # You should have received a copy of the GNU Lesser General Public
14 # License along with this library; if not, write to the Free Software
15 # Foundation, Inc., 59 Temple Place, Suite 330, Boston, MA 02111-1307 USA
17 # See http://www.salome-platform.org/ or email : webmaster.salome@opencascade.com
20 import ATOMGEN_ORB__POA
22 class Atom(ATOMGEN_ORB__POA.Atom):
24 Atom interface implementation
26 def __init__(self, name, x, y, z):
37 Gets the name of the atom
43 Gets x coordinate of the atom
49 Gets y coordinate of the atom
55 Gets z coordinate of the atom
59 class Molecule(ATOMGEN_ORB__POA.Molecule):
61 Atomic configuration interface implementatio
63 def __init__(self, name):
73 Gets the name of the configuration
79 GEts the number of the atoms
81 return len(self.atoms)
83 def addAtom( self, atom ):
87 self.atoms.append( atom )
90 def getAtom(self, index):
92 Gets the atom by index
94 if index < 0 or index > len(self.atoms)-1:
95 raise Exception( "Bad index" )
96 return self.atoms[ index ]._this()