From 3355bebde3b3fd91b3681bd57b78e792f1cfc625 Mon Sep 17 00:00:00 2001
From: =?UTF-8?q?=E2=80=9Cireaml=E2=80=9D?=
 <i.mosquera-lois22@imperial.ac.uk>
Date: Thu, 17 Aug 2023 11:55:59 +0100
Subject: [PATCH] move `read_cube_density`

---
 macrodensity/alpha.py | 28 ----------------------------
 macrodensity/io.py    | 30 +++++++++++++++++++++++++++++-
 2 files changed, 29 insertions(+), 29 deletions(-)

diff --git a/macrodensity/alpha.py b/macrodensity/alpha.py
index 31c0e69..4f9a241 100644
--- a/macrodensity/alpha.py
+++ b/macrodensity/alpha.py
@@ -657,34 +657,6 @@ def create_plotting_mesh(NGX: int,NGY: int,NGZ: int,pc: np.ndarray,grad: np.ndar
     return plane
 
 
-def read_cube_density(FILE: str) -> np.ndarray:
-    """
-    Reads a cube density file and extracts relevant information.
-
-    Parameters:
-        FILE (str): The path to the cube density file.
-
-    Returns:
-        numpy.ndarray: A 3x3 numpy array representing the lattice.
-
-    Example:
-        >>> file_path = 'path/to/your/cube_density_file.cube'
-        >>> # Read the cube density file and get the lattice
-        >>> lattice = read_cube_density(file_path)
-        >>> print(lattice)
-    """
-    f = open(FILE,"r")
-    lines = f.readlines()
-    f.close()
-    lattice = np.zeros(shape=(3,3))
-    for line in lines:
-        inp = line.split()
-        if inp == []:
-            continue
-        if len(inp) == 4:
-            natms = inp[0]
-
-
 def points_2_plane(a: np.ndarray, b: np.ndarray, c: np.ndarray) -> np.ndarray:
     """
     Calculates the plane coefficients from three points in space.
diff --git a/macrodensity/io.py b/macrodensity/io.py
index 1fa0ff5..b7c1cef 100644
--- a/macrodensity/io.py
+++ b/macrodensity/io.py
@@ -397,4 +397,32 @@ def read_vasp_density(FILE: str, use_pandas: bool=None, quiet: bool=False) -> tu
     if not quiet:
         print("Average of the potential = ", np.average(Potential))
 
-    return Potential, NGX, NGY, NGZ, lattice
\ No newline at end of file
+    return Potential, NGX, NGY, NGZ, lattice
+
+
+def read_cube_density(FILE: str) -> np.ndarray:
+    """
+    Reads a cube density file and extracts relevant information.
+
+    Parameters:
+        FILE (str): The path to the cube density file.
+
+    Returns:
+        numpy.ndarray: A 3x3 numpy array representing the lattice.
+
+    Example:
+        >>> file_path = 'path/to/your/cube_density_file.cube'
+        >>> # Read the cube density file and get the lattice
+        >>> lattice = read_cube_density(file_path)
+        >>> print(lattice)
+    """
+    f = open(FILE,"r")
+    lines = f.readlines()
+    f.close()
+    lattice = np.zeros(shape=(3,3))
+    for line in lines:
+        inp = line.split()
+        if inp == []:
+            continue
+        if len(inp) == 4:
+            natms = inp[0]
\ No newline at end of file