README_developer.md

Development log

1. Add command script: xfntr

Use "entry_points" keyword in setup() to add command "xfntr" in ocmmand line. There might be path problems.

entry_points = { # create scripts and add to sys.PATH
        'console_scripts':[
            'xfntr1 = xfntr.main:main'
        ],
        'gui_scripts': [
            'xfntr = xfntr.main:main'
        ]
    }

2. Solve path issue

Command line might not be albe to find the right path where the module is. In main.py, added the following so it can find module mainwindow.py

import os
# Use absolute path instead of relative path ('./') to avoid trouble when installed by pip
dir_path = os.path.dirname(os.path.realpath(__file__))
sys.path.append(dir_path)

In mainwindow.py, added the following

import os
# Use absolute path instead of relative path ('./') to avoid trouble when installed by pip
dir_path = os.path.dirname(os.path.realpath(__file__))

and used the absolute file path for GUI files:

UI_path = dir_path + '/GUI/'

3. Compatability with Windows OS. (Version: 0.2.6)

Rewrote "parratt function" in python and removed all fortran code dependencies. Used Numba package to speed up the python function.

4. Modify the model to account for the penetration through the glass wall.

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Future Ideas

1. Rewrite the core function in c and call it from python.
   1. Learn array in C.
   2. Write test code.
2. Think of implementing 2D fitting in (qz,sh) space.
   1. Core function is ready for 2D calculation.
   2. Implement 3D plot to plot surface in (qz,sh) space.
   3. Identify which part of data is sensitive to a particular parameter.
   4. Propose a measurement procedure.
3. Implement parallel computing.
4. Add function for simple calculations. For example:
   1. Electron density calculation