Update docs and bump to version 23.2

wigging · Feb 15, 2023 · 5969aa8 · 5969aa8
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diff --git a/CHANGELOG.md b/CHANGELOG.md
@@ -2,6 +2,16 @@
 
 Version numbers use calendar versioning based on `YY.MM.MICRO`. See the [CalVer](https://calver.org) website for more information about this versioning convention. The format of this changelog follows the approach outlined on the [Keep a Changelog](https://keepachangelog.com) website.
 
+## 23.2
+
+This version has breaking changes so please upgrade from previous versions.
+
+#### Changed
+
+- Gas density, heat capacity, thermal conductivity, and viscosity functions are now methods in the `Gas` class
+- Liquid heat capacity function is now a method in the `Liquid` class
+- Wood heat capacity and thermal conductivity functions are now in the wood module
+
 ## 23.1
 
 #### Changed

diff --git a/LICENSE → LICENSE.md b/LICENSE → LICENSE.md
diff --git a/README.md b/README.md
@@ -1,6 +1,6 @@
 # Chemics
 
-The chemics package is a collection of Python functions for performing calculations in the field of chemical engineering. Source code for the package is available on GitHub and contributions from the community are encouraged.
+Chemics is a Python package for chemistry and chemical engineering applications. It is open-source and contributions from the scientific community are encouraged.
 
 ## Installation
 
@@ -12,25 +12,31 @@ $ pip install chemics
 
 ## Usage
 
-The example below imports the chemics package then uses the `rhog()` function to calculate the density of a gas based on its molecular weight, pressure, and temperature.
+The example below imports the chemics package and creates a `Gas` class to calculate the density of nitrogen gas at a pressure of 101,325 Pa and 773 K.
 
 ```python
 import chemics as cm
-cm.rhog(28, 101325, 773)    # returns 0.4414
+
+gas = cm.Gas('N2')
+rho = gas.rho(101325, 773)
+print(rho)
+
+# This prints a value of 0.4416
 ```
 
-Use the `ChemicalEquation` class to get properties of the reactants and products from a given chemical equation.
+This example uses the `ChemicalEquation` class to get properties of the reactants and products from a given chemical equation.
 
 ```python
 import chemics as cm
 
 ce = cm.ChemicalEquation('2 HCl + 2 Na -> 2 NaCl + H2')
-
 ce.balance
-# returns True for balanced equation
+
+# Returns True for balanced equation
 
 ce.rct_properties
-# returns a dataframe of the reactant properties
+
+# Returns a dataframe of the reactant properties
 #                HCl        Na
 # moles            2         2
 # species        HCl        Na
@@ -40,7 +46,7 @@ ce.rct_properties
 # massfrac  0.613275  0.386725
 ```
 
-More examples are available in the `examples` directory.
+More examples are available in the `examples` directory and in the documentation.
 
 ## Documentation
 

diff --git a/chemics/wood.py b/chemics/wood.py
@@ -41,7 +41,8 @@ def cp_wood(x, tk):
     References
     ----------
     .. [1] Samuel V. Glass and Samuel L. Zelinka. Moisture Relations and
-       Physical Properties of Wood. Ch. 4 in Wood Handbook, pp. 1-19, 2010.
+       Physical Properties of Wood. Chapter 4 in Wood Handbook, pp. 1-19,
+       2010.
     """
 
     cpw = 4.18  # heat capacity of water, kJ/(kg K)
@@ -85,7 +86,7 @@ def k_wood(gb, so, x):
 
     .. math:: S_x = S_o \\left(1 - \\frac{x}{MC_{fs}} \\right)
 
-    where :math:`S_o` is volumetric shrinkage [%] from Table 4-3 [1]_ and :math:`MC_{fs}`
+    where :math:`S_o` is volumetric shrinkage [%] from Table 4-3 [2]_ and :math:`MC_{fs}`
     is the fiber saturation point assumed to be 30% moisture content.
 
     Parameters
@@ -109,8 +110,9 @@ def k_wood(gb, so, x):
 
     References
     ----------
-    .. [1] Samuel V. Glass and Samuel L. Zelinka. Moisture Relations and
-       Physical Properties of Wood. Ch. 4 in Wood Handbook, pp. 1-19, 2010.
+    .. [2] Samuel V. Glass and Samuel L. Zelinka. Moisture Relations and
+       Physical Properties of Wood. Chapter 4 in Wood Handbook, pp. 1-19,
+       2010.
     """
 
     mcfs = 30   # fiber staturation point estimate [%]

diff --git a/docs/conf.py b/docs/conf.py
@@ -25,10 +25,10 @@
 author = 'Gavin Wiggins'
 
 # The short X.Y version
-version = '23.1'
+version = '23.2'
 
 # The full version, including alpha/beta/rc tags
-release = '23.1'
+release = '23.2'
 
 
 # -- General configuration ---------------------------------------------------

diff --git a/docs/gas.rst b/docs/gas.rst
@@ -1,7 +1,7 @@
 Gas
 ===
 
-Gas properties such as density, heat capacity, thermal conductivity, and viscosity can be calculated using the methods available in the :code:`Gas()` class. Some methods are based on correlations and are named accordingly; for example, the :code:`cp_yaws()` method uses Yaws' coefficients to calculate the heat capacity for a range of temperatures.
+Gas properties such as density, heat capacity, thermal conductivity, and viscosity can be calculated using the methods available in the :code:`Gas` class. Some methods are based on correlations and are named accordingly; for example, the :code:`cp_yaws()` method uses Yaws' coefficients to calculate the heat capacity for a range of temperatures.
 
 .. automodule:: chemics.gas
    :members:
diff --git a/docs/index.rst b/docs/index.rst
@@ -23,37 +23,40 @@ Install Chemics using the pip package manager:
 Usage
 -----
 
-The example below imports the Chemics package then uses the :code:`rhog()`
-function to calculate the density of a gas based on its molecular weight,
-pressure, and temperature.
+The example below imports the chemics package and creates a :code:`Gas` class to calculate the density of nitrogen gas at a pressure of 101,325 Pa and 773 K.
 
 .. code-block:: python
 
-    import chemics as cm
+   import chemics as cm
 
-    cm.rhog(28, 170100, 773)
+   gas = cm.Gas('N2')
+   rho = gas.rho(101325, 773)
+   print(rho)
 
-Use the :code:`ChemicalEquation` class to get properties of the reactants and
-products from a given chemical equation.
+   # This prints a value of 0.4416
+
+
+This example uses the :code:`ChemicalEquation` class to get properties of the reactants and products from a given chemical equation.
 
 .. code-block:: python
 
-    import chemics as cm
+   import chemics as cm
+
+   ce = cm.ChemicalEquation('2 HCl + 2 Na -> 2 NaCl + H2')
+   ce.balance
 
-    ce = cm.ChemicalEquation('2 HCl + 2 Na -> 2 NaCl + H2')
+   # Returns True for balanced equation
 
-    ce.balance
-    # returns True for balanced equation
+   ce.rct_properties
 
-    ce.rct_properties
-    # returns a dataframe of the reactant properties
-    #                HCl        Na
-    # moles            2         2
-    # species        HCl        Na
-    # molwt       36.458     22.99
-    # mass        72.916     45.98
-    # molfrac        0.5       0.5
-    # massfrac  0.613275  0.386725
+   # Returns a dataframe of the reactant properties
+   #                HCl        Na
+   # moles            2         2
+   # species        HCl        Na
+   # molwt       36.458     22.99
+   # mass        72.916     45.98
+   # molfrac        0.5       0.5
+   # massfrac  0.613275  0.386725
 
 See the `examples <https://github.com/wigging/chemics>`_ directory in the GitHub repository for more examples.
 

diff --git a/docs/liquid.rst b/docs/liquid.rst
@@ -2,7 +2,7 @@ Liquid
 ======
 
 
-Liquid properties such as heat capacity can be calculated using the method available in the :code:`Liquid()` class. The method is based on a correlation and is named accordingly; for example, the :code:`cp_yaws()` method uses Yaws' coefficients to calculate the heat capacity for a range of temperatures.
+Liquid properties such as heat capacity can be calculated using the method available in the :code:`Liquid` class. The method is based on a correlation and is named accordingly; for example, the :code:`cp_yaws()` method uses Yaws' coefficients to calculate the heat capacity for a range of temperatures.
 
 .. automodule:: chemics.liquid
    :members:
diff --git a/setup.py b/setup.py
@@ -5,7 +5,7 @@
 
 setuptools.setup(
     name='chemics',
-    version='23.1',
+    version='23.2',
     author='Gavin Wiggins',
     description='A Python package for chemical engineering',
     long_description=long_description,