Source code for constraints
#!/usr/bin/env python
# constraints.py
"""
**Module information** :
:Program: module containing the `constraints`
function needed by some of the programs
like visualize_defect_influence.py or
compactify_conductor.py
:Purpose: separate Wannier Functions into **defect**
Wannier Functions and **backbone** Wannier
Functions
:Input(s): 3 cartesian coordinates `"x"`, `"y"` and `"z"`
:Output(s): a boolean
"""
[docs]def constraints(x,y,z):
"""
This function has to be built by the user.
One needs to construct the function so as to fit the
following requirements :
- the function needs to return *False* if the Wannier
Function belongs to the `defect`
- the function needs to return *True* if the Wannier
Function belongs to the `backbone`
:Input(s): 3 floats corresponding to the Wannier Function
coordinates
:Output(s): a boolean
"""
from math import sqrt
if sqrt(x**2+y**2)<=2.7:
boolean = True
else:
boolean = False
# user code here
return boolean