Dans_Diffraction.classes_structures (version 1.1)
index
c:\users\grp66007\onedrive - diamond light source ltd\pythonprojects\dans_diffraction\dans_diffraction\classes_structures.py

CIF Directory
Various standard structures to load into Dans_Diffraction.
 
Usage:
    from classes_structures import Structures
    structure_list = Structures() # builds database of all cif files in Structures Directory
    xtl = structure_list.Silicon() # builds Crystal class of selected structure
 
By Dan Porter, PhD
Diamond
2018
 
Version 1.1
Last updated: 07/08/19
 
Version History:
02/03/18 1.0    Program created
07/08/19 1.1    Added _call__ and __repr__ methods
 
@author: DGPorter

 
Modules
       
glob
numpy
os
sys

 
Classes
       
builtins.object
BuildCrystal
Structures

 
class BuildCrystal(builtins.object)
    BuildCrystal(filename)
 
Storage Class for filename and build command
Builds a Crystal class.
 
  Methods defined here:
__call__(self)
Call self as a function.
__init__(self, filename)
Initialize self.  See help(type(self)) for accurate signature.
__repr__(self)
Return repr(self).
build(self)

Data descriptors defined here:
__dict__
dictionary for instance variables (if defined)
__weakref__
list of weak references to the object (if defined)

 
class Structures(builtins.object)
    Provides a database of cif files
    S = Structures() # builds database
    xtl = S.Diamond.build()
    
    Use S.list to see the available structures
 
  Methods defined here:
__init__(self)
Initialize self.  See help(type(self)) for accurate signature.
info(self)
"Print Available Structures

Data descriptors defined here:
__dict__
dictionary for instance variables (if defined)
__weakref__
list of weak references to the object (if defined)

 
Functions
       
cif_list()
"Returns a list of cif files in the current directory