def test_nosymada(): from pylada.dftcrystal.properties import Properties a = Properties() assert a.nosymada is None assert len(a.output_map()) == 0 a.nosymada = True assert a.print_input() == "NOSYMADA\nEND\n"
def test_rdfmwf():
from collections import namedtuple
from shutil import rmtree
from tempfile import mkdtemp
from os.path import join, exists
from os import remove
from pylada.dftcrystal.properties import Properties
from pylada.error import IOError
Extract = namedtuple('Extract', ['directory'])
try:
indir = mkdtemp()
outdir = mkdtemp()
extract = Extract(indir)
a = Properties(input=extract)
assert a.rdfmwf is None
assert len(a.output_map(filework=False)) == 0
assert len(a.print_input(filework=False)) == 0
try: a.output_map(filework=True, workdir=outdir)
except IOError: pass
else: raise Exception()
a.rdfmwf = True
assert len(a.output_map(filework=False)) == 1
assert a.output_map(filework=False)['rdfmwf'] == True
try: a.output_map(filework=True, workdir=outdir)
except IOError: pass
else: raise Exception()
a.rdfmwf = False
assert len(a.output_map(filework=False)) == 0
try: a.output_map(filework=True, workdir=outdir)
except IOError: pass
else: raise Exception()
# now with .f98 file
with open(join(indir, 'crystal.f98'), 'w') as file: file.write('hello')
a.rdfmwf = None
assert len(a.output_map(filework=False)) == 1
assert a.output_map(filework=False)['rdfmwf'] == True
assert not exists(join(outdir, 'fort.98'))
# should fail
a.rdfmwf = False
try: a.output_map(filework=True, workdir=outdir)
except IOError: pass
else: raise Exception()
# now check writing
a.rdfmwf = None
assert not exists(join(outdir, 'fort.98'))
assert a.output_map(filework=True, workdir=outdir)['rdfmwf'] == True
assert exists(join(outdir, 'fort.98'))
remove(join(outdir, 'fort.98'))
a.rdfmwf = True
assert not exists(join(outdir, 'fort.98'))
assert a.output_map(filework=True, workdir=outdir)['rdfmwf'] == True
assert exists(join(outdir, 'fort.98'))
remove(join(indir, 'crystal.f98'))
remove(join(outdir, 'fort.98'))
with open(join(outdir, 'crystal.f98'), 'w') as file: file.write('hello')
assert exists(join(outdir, 'crystal.f98'))
assert not exists(join(outdir, 'fort.98'))
assert a.output_map(filework=True, workdir=outdir, outdir=outdir)['rdfmwf'] == True
assert exists(join(outdir, 'fort.98'))
remove(join(outdir, 'fort.98'))
# now for .f9
with open(join(indir, 'crystal.f9'), 'w') as file: file.write('hello')
a.rdfmwf = None
assert len(a.output_map(filework=False)) == 0
assert not exists(join(outdir, 'fort.9'))
# should fail
a.rdfmwf = True
try: a.output_map(filework=True, workdir=outdir)
except IOError: pass
else: raise Exception()
# now check writing
a.rdfmwf = None
assert not exists(join(outdir, 'fort.9'))
assert len(a.output_map(filework=True, workdir=outdir)) == 0
assert exists(join(outdir, 'fort.9'))
remove(join(outdir, 'fort.9'))
a.rdfmwf = False
assert not exists(join(outdir, 'fort.9'))
assert len(a.output_map(filework=True, workdir=outdir)) == 0
assert exists(join(outdir, 'fort.9'))
remove(join(indir, 'crystal.f9'))
remove(join(outdir, 'fort.9'))
with open(join(outdir, 'crystal.f9'), 'w') as file: file.write('hello')
assert not exists(join(outdir, 'fort.9'))
assert exists(join(outdir, 'crystal.f9'))
assert len(a.output_map(filework=True, workdir=outdir, outdir=outdir)) == 0
assert exists(join(outdir, 'fort.9'))
remove(join(outdir, 'fort.9'))
finally:
try: rmtree(indir)
except: pass
try: rmtree(outdir)
except: pass