Skip to content

GitLab

Commit 645bf229 authored by Jason Swails's avatar Jason Swails
Browse files

Use tempfile to make a file.

parent efce20c2
Show whitespace changes
Inline Side-by-side
Showing with 3 additions and 3 deletions
wrappers/python/tests/TestDcdFile.py
View file @ 645bf229
import unittest import unittest
import tempfile import tempfile
import numpy as np
from simtk.openmm import app from simtk.openmm import app
import simtk.openmm as mm import simtk.openmm as mm
from simtk import unit from simtk import unit
...@@ -10,13 +9,14 @@ import os ...@@ -10,13 +9,14 @@ import os
class TestDCDFile(unittest.TestCase): class TestDCDFile(unittest.TestCase):
def test_dcd(self): def test_dcd(self):
""" Test the DCD file """ """ Test the DCD file """
fname = tempfile.mktemp(suffix='.dcd')
pdbfile = app.PDBFile('systems/alanine-dipeptide-implicit.pdb') pdbfile = app.PDBFile('systems/alanine-dipeptide-implicit.pdb')
natom = len(list(pdbfile.topology.atoms())) natom = len(list(pdbfile.topology.atoms()))
dcd = app.DCDFile(open('test.dcd', 'w'), pdbfile.topology, 0.001) dcd = app.DCDFile(open(fname, 'w'), pdbfile.topology, 0.001)
for i in range(5): for i in range(5):
dcd.writeModel([mm.Vec3(random(), random(), random()) for j in range(natom)]*unit.angstroms) dcd.writeModel([mm.Vec3(random(), random(), random()) for j in range(natom)]*unit.angstroms)
dcd._file.close() dcd._file.close()
os.remove('test.dcd') os.remove(fname)
if __name__ == '__main__': if __name__ == '__main__':
unittest.main() unittest.main()
Markdown is supported
0% or .
You are about to add 0 people to the discussion. Proceed with caution.
Finish editing this message first!
Please register or to comment