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* added a couple new functions, moved existing code into build function * added some doc strings * added a default value to the port labels * reworked the _add_port function * saving my progress with the add_end_groups function * made progress with end group funcitonality * removing a couple print statements * added 2 new attributes to port class * removed changes from port.py, commented out orientation and separation lines * changed method of removing hydrogens, added n_monomers var for finding last monomer * adding to the doc strings * added update_separation function * update orientation func; separation property func * added the up subports to the rotations * fixed the change_orientation function * fix handling when their is no anchor particle * fix typo * docstring: separation is None when port has no anchor * added 3 unit tests * remove the port updating stuff I was trying to use * updating port separations for end groups * fix the way clone is being called * added some doc strings and comments * updated doc strings * including jupyter notebook example and walk through * example notebook ready * added to recipe examples * expanded end_group options * update alkane recipe to make tests pass * cleaned up if statements when updating head/tail ports * remove trailing whitespace * allow use of compound with existing ports to be specified in init whitespace/formatting * update alkane to new schema * update tests * blacked, changed how head/tail port work * remove debug print * update notebook * update notebook * clear nb * add back add_hydrogens * add add_hydrogens=False * add_hydrogens=False, all tests pass * changed orientation of down port to face opposite direction of up port * Few more examples added to show new functionality * adding a few unit tests * removing the example notebook from the PR * test for errors, and manually passing in end group compounds * expanded doc strings with more detailed explanations, and some examples * fix a conflict that was sticking around in the port doc strings * fix formatting in the doc strings * Doc strings to explain implementation of sequence in the build function * add unit test for value of n < 1 * 2 new tests to test for errors * remove unused imports * oops, typo Co-authored-by: chrisjonesBSU <[email protected]> Co-authored-by: Jenny <[email protected]> Co-authored-by: Jenny Fothergill <[email protected]>
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