initial commit. This probably is buggy
Merge branch 'master' of github.com:schwancr/mdtraj into contact
forgot to add the new file...
got imports working. the results now match what MSMBuilder would calculate after fixing the indexing issue in SimTk/msmbuilder#352
added test for contact calculation. I didn't see one for any of the other geometry code
added make_square. I think this should work, but still need to test it
bunch of small fixes, also the make_square thing works
using six.moves.xrange?
I was doing atom.element.symbol != element.hydrogen ... fixed that and the test passes on my computer now
I am very confused as to why the tests are not passing ...
make element immutable
added __eq__ method to Element
changed trajectory test so that it does not change the masses, but just the element
atomic_number
merged immutable-element
removed print statements in test_contact.py
removed all instances of 'from .module import something' because it was causing all sorts of issues for nosetests where the files were being loaded in the source rather than the installed version.
omg omg omg. The tests passed! Finally.
Merge branch 'contact' of https://github.com/schwancr/mdtraj into schwancr-contact
fix test_element for python2.6