From f2207c00610234761fee5ed850d1b0311817c8b8 Mon Sep 17 00:00:00 2001
From: 720suprem360 <suprems1@umbc.edu>
Date: Wed, 26 Feb 2025 12:52:31 -0500
Subject: [PATCH 1/2] Updated Antoine equation.

Returns error if number of Antoine coefficients provided is not a multiple of three.
Also able to compute saturation pressure for a single row of Antoine coefficients.
---
 antoine.py | 61 ++++++++++++++++++++++++++++++++++--------------------
 1 file changed, 38 insertions(+), 23 deletions(-)

diff --git a/antoine.py b/antoine.py
index 68068c4..9b02529 100644
--- a/antoine.py
+++ b/antoine.py
@@ -1,26 +1,41 @@
 def antoine( a, T):
-    # Ps = antoine( a, T)
-    #
-    # Uses Antoine's equation to obtain the vapor pressure of a substance given
-    # the coefficients of the equation:
-    #  Ps = a1 - a2/(a3+T)
-    #
-    # INPUTS:
-    #  a - the antoine coefficients with coeffients in columns and species in
-    #      rows. Coefficients from NIST expect units of bar and K.
-    #  T - the temperature at which the vapor pressure is evaluated (K)
-    #  tempUnit - OPTIONAL the unit of temperature used
-    #
-    # OUTPUT:
-    #  Ps - row vector of species vapor pressures at the specified temperature,
-    #       typically in bar.
-    #
-    # The units depend on the units used for the coefficients. The user is
-    # responsible for maintaining consistency with units. NIST uses bar and K.
-    #
-    # Code originally by: James C. Sutherland
-    # Modified by: Tyler R. Josephson
-    # Changed comment
+"""Antoine's equation calculator
+
+    This uses Antoine's equation to calculate the vapor pressure of a fluid
+    given the coefficients of the equation: Ps = a1 - a2/(a3 + T).
     
-    Ps = 10.0**( a[:,0] - a[:,1] / ( a[:,2] + T ) )
+    Parameters
+    ----------
+    a : the Antoine coefficients with coefficients in columns and species in rows.
+    T : the temperature to evaluate the vapor pressure at.
+    
+    Returns
+    -------
+    Ps : row vector of vapor pressures for all species at the specified temperature
+
+    The units depend on the units used for the coefficients.  The user is
+    responsible for maintaining consistency with units.  Customarily,
+    coefficients are supplied for pressure in mmHg and T in Celsius. 
+    
+    The coefficient argument 'a' can be in typical Python list notation. 
+    
+    Examples
+    --------
+    >>> Ps = antoine(a, T)
+    
+    """
+    import numpy as np
+    a = np.array(a)
+    b = np.shape(a)
+    c = np.size(a)
+    d = str(c/3)
+    e = np.char.endswith(d,'.0')
+
+    if e == False:
+        Ps = 'Error! You are inputting either too many or too little Antoine coefficients. This function only accepts multiples of three.'
+        print(Ps)
+    if len(b)==1:
+        Ps = 10**(a[0]-a[1] / (a[2] + T) )
+    else:
+        Ps = 10.0**(a[:,0]-a[:,1] / ( a[:,2] + T ) )
     return Ps

From a8296c9d8f379e9441b27ebc9e2ad88b0acb7771 Mon Sep 17 00:00:00 2001
From: 720suprem360 <suprems1@umbc.edu>
Date: Wed, 26 Feb 2025 14:00:49 -0500
Subject: [PATCH 2/2] Update antoine.py

---
 antoine.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/antoine.py b/antoine.py
index 9b02529..a714062 100644
--- a/antoine.py
+++ b/antoine.py
@@ -32,7 +32,7 @@ def antoine( a, T):
     e = np.char.endswith(d,'.0')
 
     if e == False:
-        Ps = 'Error! You are inputting either too many or too little Antoine coefficients. This function only accepts multiples of three.'
+        Ps = 'Error! This function only accepts a 3n count of Antoine coefficients.'
         print(Ps)
     if len(b)==1:
         Ps = 10**(a[0]-a[1] / (a[2] + T) )