Merge pull request #34 from NDoering99/patch_docstrings

edit docstrings
wolberlab · Sep 30, 2024 · e010736 · e010736
2 parents 1cab9e6 + b650e44
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diff --git a/mdpath/mdpath.py b/mdpath/mdpath.py
@@ -1,4 +1,4 @@
-"""MDPath --- MD signal transduction calculation and visualization
+"""MDPath --- MD signal transduction calculation and visualization --- :mod:`mdpath.mdapth`
 ====================================================================
 
 MDPath is a Python package for calculating signal transduction paths in molecular dynamics (MD) simulations. 
@@ -15,6 +15,8 @@
 
 Functions
 ----------
+
+:func:`main` - Main function for running MDPath from the command line.
 """
 
 import os

diff --git a/mdpath/mdpath_tools.py b/mdpath/mdpath_tools.py
@@ -1,10 +1,15 @@
-"""MDPath Tools
+"""MDPath Tools --- :mod:`mdpath.mdapth_tools`
 =============================
 This module contains the command-line interface (CLI) functions for editing and visualizing the results of MDPath analysis.
 All functions can be called from the command line after installation of the package.
 
 Functions
 -----------
+
+:func:`edit_3D_visualization_json` - Edit the 3D visualization JSONS to your visualization needs from the command line.
+:func:`path_comparison` - Compare Pathways of different simulations.
+:func:`multitraj_analysis` - Merge and analyze multiple trajectories.
+:func:`gpcr_2D_vis` - Create a 2D Visualization of Paths through a GPCR using the Ballesteros-Weinstein-System for numbering(querries gpcrdb.org for numbering).
 """
 
 import os