dft_tools/test/plovasp/inpconf/test_parameter_set.py

53 lines
1.7 KiB
Python

r"""
Tests of 'parse_parameter_set()' defined in ConfigParameters class
"""
import os
import rpath
_rpath = os.path.dirname(rpath.__file__) + '/'
import arraytest
import numpy as np
from triqs_dft_tools.converters.plovasp.inpconf import ConfigParameters
################################################################################
#
# TestParseParameterSet
#
################################################################################
class TestParseParameterSet(arraytest.ArrayTestCase):
"""
Function:
def parse_parameter_set(self, section, param_set, excpetion=False)
Scenarios:
- **if** config-file section [Shell 1] contains 'LSHELL = 2' **and**
'lshell' and 'ions' are in `param_set` **return** a dictionary {'lshell': 2}
- **if** config-file section [Shell 1] contains 'LSHELL = 2' **and**
'lshell' and 'ions' are in `param_set` and
exception=True **raise** Exception
"""
def setUp(self):
"""
"""
# Dummy ConfigParameters object
self.cpars = ConfigParameters(_rpath + 'test1.cfg')
# Scenario 1
def test_sh_required(self):
param_set = self.cpars.sh_required # contains 'lshell' and 'ions'
res = self.cpars.parse_parameter_set('Shell 1', param_set)
expected = {'lshell': 2}
self.assertDictEqual(res, expected)
# Scenario 2
def test_sh_required_exception(self):
section = 'Shell 1'
param_set = self.cpars.sh_required # contains 'lshell' and 'ions'
err_mess = "Required parameter" # .* in section [%s]"%(section)
with self.assertRaisesRegexp(Exception, err_mess):
self.cpars.parse_parameter_set(section, param_set, exception=True)