Package mmLib :: Module Structure :: Class AtomList
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Class AtomList

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object --+    
         |    
      list --+
             |
            AtomList
Known Subclasses:

Provides the functionality of a Python list class for containing Atom instances. It also provides class methods for performing some useful calculations on the list of atoms.

Instance Methods [hide private]
 
calc_centroid(self)
Calculates the centroid of all contained Atom instances and returns a Vector to the centroid.
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calc_adv_temp_factor(self)
Calculates the average temperature factor of all contained Atom instances and returns the average temperature factor.
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calc_adv_U(self)
Calculates the average U matrix of all contained Atom instances and returns the 3x3 symmetric U matrix of that average.
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calc_adv_anisotropy(self)
Calculates the average anisotropy for all Atoms in the AtomList.
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calc_adv_anisotropy3(self)
Calculates the average anisotropy 3-tuple for all Atoms in the AtomList.
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Inherited from list: __add__, __contains__, __delitem__, __delslice__, __eq__, __ge__, __getattribute__, __getitem__, __getslice__, __gt__, __iadd__, __imul__, __init__, __iter__, __le__, __len__, __lt__, __mul__, __ne__, __new__, __repr__, __reversed__, __rmul__, __setitem__, __setslice__, __sizeof__, append, count, extend, index, insert, pop, remove, reverse, sort

Inherited from object: __delattr__, __format__, __reduce__, __reduce_ex__, __setattr__, __str__, __subclasshook__

Class Variables [hide private]

Inherited from list: __hash__

Properties [hide private]

Inherited from object: __class__