#!/usr/bin/env python

# definition of STRUCTURES for qmx-setup
#
# Torsten Kerber, ENS LYON: 2011, 07, 11
#
# This work is supported by Award No. UK-C0017, made by King Abdullah
# University of Science and Technology (KAUST)

from qmxDEF import Definition

#-------------------------------------------------------------------------------
#--- STR DEFINITIONS -----------------------------------------------------------
#-------------------------------------------------------------------------------
class VASPStrDefinition(Definition):
    def __init__(self):
        self.name='VASP'
        self.keywords = {}
        self.keywords['import']='ase.io.vasp'
        self.keywords['class']='read_vasp'
        self.keywords['class.options']='POSCAR'
    
#-------------------------------------------------------------------------------
class TURBOMOLEStrDefintion(Definition):
    def __init__(self):
        self.name='TURBOMOLE'
        self.keywords = {}
        self.keywords['import']='ase.io.turbomole'
        self.keywords['class']='read_turbomole'
        self.keywords['class.options']='coord'

#-------------------------------------------------------------------------------
strDefinitions = [VASPStrDefinition(), TURBOMOLEStrDefintion()]