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madscatt / zazmol

Library for defining molecular objects to create simulation and analysis programs To install: python setup.py install dependencies: numpy, mocker
GNU General Public License v3.0
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sasmol __init__ when reading pdb file #16

Closed madscatt closed 7 years ago

madscatt commented 7 years ago

Need more robust communication on success or failure. Also, the repr method doesn't seem to be working as planned as now when pdb is read in correctly m does not indicate success.

Also need to indicate if path / file was okay and whether the failure was a read_pdb issue or not.

madscatt commented 7 years ago

modified init to return either the filename (if successful), a message that the file could not be read, and if an integer is supplied as the first argument then it sets the id to the integer and sets the sasmol repr as only sasmol object. passed (non-broken) tests