mirror of
https://github.com/triqs/dft_tools
synced 2024-12-22 12:23:41 +01:00
f86038a7fd
All imports inside the test cases refer now to paths relative to TRIQS python library path. For example, `import vaspio` is replaced with `import applications.dft.converters.plovasp.vasio` In this way all tests can be executed wtih `build_pytriqs` provided that the package is installed (the same practice as with other 'dft_tools' tests). Also, the underscore can now be removed from subdirectory names because there is no more conflict with module names.
49 lines
1.4 KiB
Python
49 lines
1.4 KiB
Python
r"""
|
|
Tests of 'parse_groups()' defined in ConfigParameters class
|
|
"""
|
|
import os
|
|
import rpath
|
|
_rpath = os.path.dirname(rpath.__file__) + '/'
|
|
|
|
import arraytest
|
|
import numpy as np
|
|
from applications.dft.converters.plovasp.inpconf import ConfigParameters
|
|
|
|
################################################################################
|
|
#
|
|
# TestParseGroups
|
|
#
|
|
################################################################################
|
|
class TestParseGroups(arraytest.ArrayTestCase):
|
|
"""
|
|
Function:
|
|
|
|
def parse_groups(self)
|
|
|
|
Scenarios:
|
|
|
|
- **if** a [Group] section does not contain all required parameters
|
|
**raise** Exception
|
|
- **if** a correct group section is defined **return** a list of dictionaries
|
|
"""
|
|
# Scenario 1
|
|
def test_gr_required(self):
|
|
conf_pars = ConfigParameters(_rpath + 'parse_groups_1.cfg')
|
|
err_mess = "Required parameter"
|
|
with self.assertRaisesRegexp(Exception, err_mess):
|
|
conf_pars.parse_groups()
|
|
|
|
# Scenario 2
|
|
def test_example(self):
|
|
conf_pars = ConfigParameters(_rpath + 'example.cfg')
|
|
conf_pars.parse_groups()
|
|
res = conf_pars.groups
|
|
expected = [{'index': 1, 'shells': [1, 2], 'ewindow': (-7.6, 3.0),
|
|
'normalize': True, 'normion': True},
|
|
{'index': 2, 'shells': [3], 'ewindow': (-1.6, 2.0),
|
|
'normalize': True, 'normion': True}]
|
|
self.assertListEqual(res, expected)
|
|
|
|
|
|
|