Metadata-Version: 2.1
Name: chemlib
Version: 2.1.8
Summary: An easy-to-use library that quickly performs chemistry calculations.
Home-page: https://github.com/harirakul/chemlib
Author: Hari Ambethkar
Author-email: harirakul.a@gmail.com
License: MIT
Download-URL: https://pypi.org/project/chemlib/
Description: <h1 align="center">chemlib</h1>
        
        <div align="center">
          ⚗️🔬👨‍🔬🧪
        </div>
        <div align="center">
          <strong>Chemistry Library</strong>
        </div>
        
          <p align="center">
        A pure Python package that supports a variety of functions pertaining to the vast field of chemistry.
          </p>
        <br>
        <div align="center">
          <!-- PyPI -->
          <a href="https://badge.fury.io/py/chemlib">
            <img src="https://badge.fury.io/py/chemlib.svg"/>
          </a>
          <!-- License -->
          <a href="https://github.com/harirakul/chemlib/blob/master/LICENSE.txt">
            <img src="https://img.shields.io/github/license/mashape/apistatus.svg?maxAge=2592000" />
          </a>
          <!-- Documentation Status -->
          <a href="https://chemlib.readthedocs.io/en/latest/">
            <img src="https://readthedocs.org/projects/chemlib/badge/?version=latest"
         />
          </a>
          <!-- Downloads -->
          <a href="https://pepy.tech/project/chemlib">
            <img src="https://pepy.tech/badge/chemlib" />
          </a>
        </div>
        <div align="center">
          <h3>
            <a href="https://chemlib.readthedocs.io/en/latest/">
              Documentation
            </a>
            <span> | </span>
            <a href="https://github.com/harirakul/chemlib/issues">
              Report a Bug
            </a>
            <span> | </span>
            <a href="https://github.com/harirakul/chemlib/pulls">
              Submit a Pull Request
        </a>
          </h3>
        </div>
        <br>
        
        ## Installation
        Use the Python Package Installer (PyPI):
        
        ```sh
        $ pip install -U chemlib
        ```
        
        ## Features
        
        - [Properties of all Elements](https://chemlib.readthedocs.io/en/latest/core.html#elements)
        - [Periodic Table GUI](https://chemlib.readthedocs.io/en/latest/core.html#ptable-gui) - courtesy of <a href="https://github.com/AdiMatam">
              @AdiMatam
            </a>
        - [Compounds](https://chemlib.readthedocs.io/en/latest/compounds.html)
           * Formula
           * Molar Mass
           * Percentage Composition by Mass
           * Stoichiometric Amounts
           * Oxidation States/Numbers
        - [Empirical Formulae](https://chemlib.readthedocs.io/en/latest/formulae.html)
           * Empirical Formula by Percentage Composition
           * Combustion Analysis of Hydrocarbons
        - [Aqueous Solutions](https://chemlib.readthedocs.io/en/latest/solution.html)
           * Solute
           * Molarity (mol/L)
           * Stoichiometric Amounts
           * Dilutions
        - [Chemical Reactions](https://chemlib.readthedocs.io/en/latest/reactions.html)
           * Formula
           * Balancing the Equation
           * Combustion Reactions
           * Stoichiometric Amounts
           * Limiting Reagent
        - [Electrochemistry](https://chemlib.readthedocs.io/en/latest/electrochemistry.html)
           * Galvanic (Voltaic) Cells
              * Anode, Cathode, Cell Potential, Diagram
           * Electrolysis
        - [Quantum Mechanics](https://chemlib.readthedocs.io/en/latest/quantum.html)
           * Electromagnetic Waves
              * Frequency, Wavelength, Energy per photon
           * Energy in nth Hydrogen Orbital
           * Rydberg Equation
        
        ### Periodic Table GUI
        ![PTable](https://github.com/harirakul/chemlib/blob/master/chemlib/screenshots/PTable.png)
        
        ### Galvanic Cell Diagrams
        ![Zn-Cu Galvanic Cell](https://github.com/harirakul/chemlib/blob/master/chemlib/screenshots/GCell.jpg)
        
        ### Elements
        ```python
        >>> from chemlib import Element
        
        >>> boron = Element('B')   #Declare Element from its symbol
        
        >>> boron.properties
        {'AtomicNumber': 5.0, 'Element': 'Boron', 'Symbol': 'B', 'AtomicMass': 10.811, 'Neutrons': 6.0, 'Protons': 5.0, 'Electrons': 5.0, 'Period': 2.0, 'Group': 13.0, 'Phase': 'solid', 'Radioactive': False, 'Natural': True, 'Metal': False, 'Nonmetal': False, 'Metalloid': True, 'Type': 'Metalloid', 'AtomicRadius': '1.2', 'Electronegativity': 2.04, 'FirstIonization': '8.298', 'Density': '2.34', 'MeltingPoint': '2573.15', 'BoilingPoint': '4200', 'Isotopes': 6.0, 'Discoverer': 'Gay-Lussac', 'Year': '1808', 'SpecificHeat': '1.026', 'Shells': 2.0, 'Valence': 3.0, 'Config': '[He] 2s2 2p1', 'MassNumber': 11.0}
        
        >>> boron.AtomicMass
        10.811
        ```
        
        ### Compounds
        
        ```python
        >>> from chemlib import Compound
        
        >>> nitric_acid = Compound("HNO3")
        
        >>> nitric_acid.occurences
        {'H': 1, 'N': 1, 'O': 3}
        
        >>> nitric_acid.molar_mass()
        63.01
        
        >>> nitric_acid.percentage_by_mass('O')  #Get percentage composition by mass of a constituent element of choice
        76.174
        
        ```
        
        ### Stoichiometric conversions with compounds
        Accepted inputs: grams, moles, and molecules
        
        ```python
        >>> from chemlib import Compound
        
        >>> water = Compound('H2O')
        
        >>> water.formula
        'H₂O₁'
        
        >>> water.get_amounts(grams = 2)
        {'Compound': 'H₂O₁', 'Grams': 2, 'Moles': 0.111, 'Molecules': 6.685e+22}
        
        >>> water.get_amounts(moles = 1)
        {'Compound': 'H₂O₁', 'Grams': 18.01, 'Moles': 1, 'Molecules': 6.02e+23}
        
        >>> water.get_amounts(molecules = 1.0e+24)
        {'Compound': 'H₂O₁', 'Grams': 29.917, 'Moles': 1.6611, 'Molecules': 1e+24}
        
        ```
        
        ### Balancing Chemical Reactions
        
        ```python
        
        >>> from chemlib import Compound, Reaction
        
        >>> H2 = Compound('H2')
        >>> O2 = Compound('O2')
        >>> H2O = Compound('H2O')
        >>> r = Reaction(reactants = [H2, O2], products = [H2O])
        
        >>> r.formula
        '1H₂ + 1O₂ --> 1H₂O₁'
        
        >>> r.is_balanced
        False
        
        >>> r.balance()
        
        >>> r.formula
        '2H₂ + 1O₂ --> 2H₂O₁'
        
        >>> r.is_balanced
        True
        ```
        
        ## Citing
        
        If you use [chemlib](https://chemlib.readthedocs.io/en/latest/index.html) in your scientific work, please consider citing:
        
        |     H. R. Ambethkar, *chemlib* - A Python chemistry library , 2020\-- . Available at:
          <https://github.com/harirakul/chemlib>.
        
        The reference in the [BibLaTeX](https://www.ctan.org/pkg/biblatex?lang=en) format:
        
        ``` {.sourceCode .latex}
        @software{chemlib2020,
           author = {Ambethkar, Hari},
           title = {{chemlib} -- A Python chemistry library},
           url = {https://github.com/harirakul/chemlib},
           version = {2.1.7+},
           date = {2020--},
        ```
Keywords: Chemistry,Chemlib
Platform: UNKNOWN
Description-Content-Type: text/markdown
