MineralsCloud / qha

A Python package for calculating thermodynamic properties under quasi-harmonic approximation, using data from ab-initio calculations
https://mineralscloud.github.io/qha/
GNU General Public License v3.0
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`test_read_ice_input` fails because test data have been reanmed #67

Closed singularitti closed 5 years ago

singularitti commented 5 years ago

Expected Behavior

test_read_ice_input runs through without error

Actual Behavior

test_read_ice_input runs with error

Error
Traceback (most recent call last):
  File "/Users/qz/.pyenv/versions/3.6.8/lib/python3.6/unittest/case.py", line 59, in testPartExecutor
    yield
  File "/Users/qz/.pyenv/versions/3.6.8/lib/python3.6/unittest/case.py", line 605, in run
    testMethod()
  File "/Users/qz/.ghq/github.com/MineralsCloud/qha/qha/tests/test_read_input.py", line 27, in test_read_ice_input
    nm, volumes, static_energies, frequencies, q_weights = read_input(file_path)
  File "/Users/qz/.ghq/github.com/MineralsCloud/qha/qha/basic_io/read_input.py", line 37, in read_input
    text_stream = TextStream(pathlib.Path(inp))
  File "/Users/qz/.virtualenvs/qha-Z2YbyQSM/lib/python3.6/site-packages/text_stream/__init__.py", line 58, in __init__
    "The *inp* argument '{0}' is not a valid file!".format(inp))
FileNotFoundError: The *inp* argument '../../examples/ice VII/input_conf01' is not a valid file!

Reason

examples/ice VII/input_conf01, etc., have been renamed to examples/ice VII/input_01, etc.

Specifications

singularitti commented 5 years ago

Fixed by commit 380a761eb0ee09d651cfd6e861c6f840e4ae298a.