Class LipidDirector

      object --+        
               |        
GeomAnalyzerBase --+    
                   |    
  _CompositeAnalyzer --+
                       |
                      LipidDirector

Direction of CH bond for carbon atoms on lipid tail

Instance Methods

[hide private]

__init__(self, msys_model, cms_model, asl, tail_type)
x.__init__(...) initializes x; see help(type(x)) for signature

list of Nix3 numpy.arrays, where Ni is the number of C-H bonds for the i'th lipid C atom over all lipid molecules

__call__(self)

Inherited from _CompositeAnalyzer (private): _postcalc, _precalc

Inherited from object: __delattr__, __format__, __getattribute__, __hash__, __new__, __reduce__, __reduce_ex__, __repr__, __setattr__, __sizeof__, __str__, __subclasshook__

Static Methods

[hide private]

Inherited from GeomAnalyzerBase (private): _get_sites, _sites2gids

Properties

[hide private]

Inherited from object: __class__

Method Details

[hide private]

init(self, msys_model, cms_model, asl, tail_type)
(Constructor)

x.__init__(...) initializes x; see help(type(x)) for signature

Parameters:

tail_type - 'sn1', 'sn2', 'all'
msys_model (msys.System)
cms_model (schrodinger.structure.Structure)
asl (str)

Overrides: object.__init__

call(self)
(Call operator)

Returns: list of Nix3 numpy.arrays, where Ni is the number of C-H bonds for the i'th lipid C atom over all lipid molecules
Overrides: GeomAnalyzerBase.__call__

Class LipidDirector

__init__(self, msys_model, cms_model, asl, tail_type) (Constructor)

__call__(self) (Call operator)

init(self, msys_model, cms_model, asl, tail_type)
(Constructor)

call(self)
(Call operator)