def test_parse_phonon_section(self):
raise SkipTest
#Phonon section in input file is now obsolete!
myip = InputParser(inputfile="neb_with_phonons.inp")
minput = MASTFile("%s/phonon_lines.txt" % testdir)
cleanlines = list()
for line in minput.data:
cleanlines.append(line.strip())
myoptions = InputOptions()
myip.parse_phonon_section('phonon',cleanlines,myoptions)
print myoptions
mdict=dict()
mdict['perfect']=dict()
mdict['perfect']['phonon_center_site']='0.5 0.5 0'
mdict['perfect']['phonon_center_radius']='1'
mdict['vac1']=dict()
mdict['vac1']['phonon_center_site']='0.5 0.5 0'
mdict['vac1']['phonon_center_radius']='1'
mdict['vac2']=dict()
mdict['vac2']['phonon_center_site']='0.0 0.0 0'
mdict['vac2']['phonon_center_radius']='1'
mdict['vac1-vac2']=dict()
mdict['vac1-vac2']['phonon_center_site']='0.25 0.25 0'
mdict['vac1-vac2']['phonon_center_radius']='1'
self.assertEqual(myoptions.options['phonon']['phonon'],mdict)
def test_parse_phonon_section(self):
raise SkipTest
#Phonon section in input file is now obsolete!
myip = InputParser(inputfile="neb_with_phonons.inp")
minput = MASTFile("%s/phonon_lines.txt" % testdir)
cleanlines = list()
for line in minput.data:
cleanlines.append(line.strip())
myoptions = InputOptions()
myip.parse_phonon_section('phonon', cleanlines, myoptions)
print myoptions
mdict = dict()
mdict['perfect'] = dict()
mdict['perfect']['phonon_center_site'] = '0.5 0.5 0'
mdict['perfect']['phonon_center_radius'] = '1'
mdict['vac1'] = dict()
mdict['vac1']['phonon_center_site'] = '0.5 0.5 0'
mdict['vac1']['phonon_center_radius'] = '1'
mdict['vac2'] = dict()
mdict['vac2']['phonon_center_site'] = '0.0 0.0 0'
mdict['vac2']['phonon_center_radius'] = '1'
mdict['vac1-vac2'] = dict()
mdict['vac1-vac2']['phonon_center_site'] = '0.25 0.25 0'
mdict['vac1-vac2']['phonon_center_radius'] = '1'
self.assertEqual(myoptions.options['phonon']['phonon'], mdict)
