lammps/tools/i-pi/ipi/tests/common.py

97 lines
2.8 KiB
Python

"""Common helper functions for running the tests.
Copyright (C) 2013, Joshua More and Michele Ceriotti
This program is free software: you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
the Free Software Foundation, either version 3 of the License, or
(at your option) any later version.
This program is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
GNU General Public License for more details.
You should have received a copy of the GNU General Public License
along with this program. If not, see <http.//www.gnu.org/licenses/>.
Functions:
local: Returns local folder of the tests directory.
Classes:
TestSimulation: Can be used to test that a particular simulation
will run properly, given an input file and a driver code.
"""
import glob
import os
import subprocess
import shutil
import tempfile
def local(file=None):
"""Returns local folder of the tests directory.
Args:
- file: Append file to the local folder
"""
if file:
return os.sep.join(__file__.split(os.sep)[:-1]+[file])
else:
return os.sep.join(__file__.split(os.sep)[:-1])
class TestSimulation(object):
"""Simple class used to test various aspects of the simulation.
Can be used to run an example given the location of an xml
input file and the location of a suitable driver code.
Attributes:
finput: The name of the xml input file
folder_input: A string giving the directory the input file is held in.
fdriver: The location of a driver code.
cwd: Current working directory.
tmpdir: A temporary directory to run the simulation in.
"""
def __init__(self, input, driver):
"""Initializes TestSimulation.
Args:
input: The name of the xml input file.
driver: The location of the driver code.
"""
self.finput = input
self.folder_input = os.sep.join(input.split(os.sep)[:-1])
self.fdriver = driver
self.cwd = os.getcwd()
self.tmpdir = tempfile.mkdtemp()
# Copy needed files to tmpdir
for src in glob.glob("%s/*"%self.folder_input):
shutil.copy(src, self.tmpdir)
os.chdir(self.tmpdir)
def __del__(self):
"""Cleans the temporary directory once the simulation is over."""
os.chdir(self.cwd)
shutil.rmtree(self.tmpdir)
def run(self):
"""Runs the simulation."""
# Run driver
p = subprocess.Popen("echo running %s"%self.fdriver, shell=True)
# Start simulation
# TODO
print subprocess.check_output("ls", shell=True)
print subprocess.check_output("pwd", shell=True)
# wait for driver to finish
p.wait()