def test_greedy_splitext(inp="foo/bar/boing.2.pdb.bz2",
ref=("foo/bar/boing", ".2.pdb.bz2")):
root, ext = util.greedy_splitext(inp)
assert root == ref[0], "root incorrect"
assert ext == ref[1], "extension incorrect"
def test_greedy_splitext(inp="foo/bar/boing.2.pdb.bz2",
ref=("foo/bar/boing", ".2.pdb.bz2")):
root, ext = util.greedy_splitext(inp)
assert_equal(root, ref[0], err_msg="root incorrect")
assert_equal(ext, ref[1], err_msg="extension incorrect")
def test_greedy_splitext(inp="foo/bar/boing.2.pdb.bz2",
ref=("foo/bar/boing", ".2.pdb.bz2")):
root, ext = util.greedy_splitext(inp)
assert_equal(root, ref[0], err_msg="root incorrect")
assert_equal(ext, ref[1], err_msg="extension incorrect")
different trajectory formats.
"""
# from MDAnalysis.tests.datafiles import PRMpbc,TRJpbc_bz2
from MDAnalysis.tests.datafiles import PRM, TRJ_bz2
from MDAnalysis import Universe, Writer
from MDAnalysis.lib.util import greedy_splitext
import os.path
topol = PRM # PRMpbc
intrj = TRJ_bz2 # TRJpbc_bz2
ext = '.dcd' # output format determined by extension
root, oldext = greedy_splitext(os.path.basename(intrj))
outtrj = root + ext
outpdb = root + '.pdb'
u = Universe(topol, intrj)
# create a writer instance for the output trajectory
w = Writer(outtrj, u.trajectory.numatoms)
# loop through the trajectory and write a frame for every step
for ts in u.trajectory:
w.write(ts)
print "Converted frame %d" % ts.frame
w.close_trajectory()
print "Converted %r --> %r" % (intrj, outtrj)
different trajectory formats.
"""
# from MDAnalysis.tests.datafiles import PRMpbc,TRJpbc_bz2
from MDAnalysis.tests.datafiles import PRM, TRJ_bz2
from MDAnalysis import Universe, Writer
from MDAnalysis.lib.util import greedy_splitext
import os.path
topol = PRM # PRMpbc
intrj = TRJ_bz2 # TRJpbc_bz2
ext = '.dcd' # output format determined by extension
root, oldext = greedy_splitext(os.path.basename(intrj))
outtrj = root + ext
outpdb = root + '.pdb'
u = Universe(topol, intrj)
# create a writer instance for the output trajectory
w = Writer(outtrj, u.trajectory.numatoms)
# loop through the trajectory and write a frame for every step
for ts in u.trajectory:
w.write(ts)
print "Converted frame %d" % ts.frame
w.close_trajectory()
print "Converted %r --> %r" % (intrj, outtrj)