def test_process(logger_code):
"""
Test running a calculation.
Also checks its outputs.
"""
from aiida.plugins import DataFactory, CalculationFactory
from aiida.engine import run
from aiida.common.extendeddicts import AttributeDict
from aiida_logger.tests import TEST_DIR # pylint: disable=wrong-import-position
# Prepare input parameters
parameters = AttributeDict()
parameters.comment_string = '#'
parameters.labels = True
# Define input files to use
SinglefileData = DataFactory('singlefile')
datafile = SinglefileData(
file=os.path.join(TEST_DIR, 'input_files', 'datafile'))
# Set up calculation
inputs = {
'code': logger_code,
'parameters': DataFactory('dict')(dict=parameters),
'datafiles': {
'datafile': datafile
},
'metadata': {
'options': {
'resources': {
'num_machines': 1,
'num_mpiprocs_per_machine': 1
},
'parser_name': 'logger',
'withmpi': False,
'output_filename': 'logger.out'
},
'description': 'Test job submission with the aiida_logger plugin'
},
}
result = run(CalculationFactory('logger'), **inputs)
assert 'data' in result
assert 'metadata' in result
data = result['data']
metadata = result['metadata']
metadata = metadata.get_dict()
assert 'labels' in metadata
assert 'comments' in metadata
assert metadata['labels'] == ['time', 'param1', 'param2', 'param3']
assert metadata['comments'][0] == '# This is an example file'
test_array = np.array([[1.0e+00, 3.0e+00, 4.0e+00, 5.0e+00],
[2.0e+00, 4.0e+00, 5.7e+00, -1.0e-01],
[3.0e+00, 1.0e-03, 1.0e+03, 8.0e-01]])
np.testing.assert_allclose(data.get_array('content'), test_array)
from aiida.common.extendeddicts import AttributeDict
from aiida.orm import Code
from aiida.plugins import DataFactory, CalculationFactory
from aiida.engine import run
from aiida import load_profile
load_profile()
from aiida_logger.tests import TEST_DIR # pylint: disable=wrong-import-position
# Get code
code_string = 'dummy@localhost'
code = Code.get_from_string(code_string)
# Prepare input parameters
parameters = AttributeDict()
parameters.comment_string = '#'
parameters.labels = True
# Define input files to use
SinglefileData = DataFactory('singlefile')
datafile = SinglefileData(
file=os.path.join(TEST_DIR, 'input_files', 'datafile'))
xlsfile = SinglefileData(
file=os.path.join(TEST_DIR, 'input_files', 'data.xlsx'))
# Set up calculation
inputs = {
'code': code,
'parameters': DataFactory('dict')(dict=parameters),
'datafiles': {
'datafile': datafile
