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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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AttributeError: 'Molecule' object has no attribute '_center_of_mass' #68

Open StevenCHowell opened 7 years ago

StevenCHowell commented 7 years ago

I think there was a shift going from sasmol to zazmol that everything should be spelled out. With the center of mass, this seems to not have completely shifted, i.e., mol.com() works but mol.center_of_mass() returns the following AttributeError

---------------------------------------------------------------------------
AttributeError                            Traceback (most recent call last)
<ipython-input-24-1ddb146e82a7> in <module>()
----> 1 mab.center_of_mass()

/home/schowell/data/myPrograms/anaconda3/envs/zm27/lib/python2.7/site-packages/sasmol/system.pyc in center_of_mass(self)
    856 
    857     def center_of_mass(self):
--> 858         return self._center_of_mass
    859 
    860     def setCenter_of_mass(self, newValue):