Changelog

Unreleased

Bugfixes

Fixes

  • Issue #48: Fix test suite.

  • Issue #45: Fixes issue with coloring on double and triple bonds in GraphMolecule

New Features

  • Issue #56: Adds molecule_from_file and multiple_molecules_from_file to MMolecule class. Now you just need to pass the file and Manim Chemistry will handle the parsing.

  • Issue #59: Adds molecule_from_file and multiple_molecules_from_file to GraphMolecule class. Now you just need to pass the file and Manim Chemistry will handle the parsing.

  • Issue #60: Adds molecule_from_file and multiple_molecules_from_file to ThreeDMolecule class. Now you just need to pass the file and Manim Chemistry will handle the parsing.

  • Issue #42: Adds support for ASNT format.

  • Issue #43: Adds support for JSON format.

  • Issue #44: Adds support for XML format.

  • Issue #45: Adds molecule_from_string and multiple_molecules_from_string to GraphMolecule, ThreeDMolecule and MMolecule.

  • Issue #45: Adds support for Pub Chem API.

  • Issue #45: Use of source csv is now optional on ThreeDMolecules.

  • Issue #68: Added ignore_hydrogens and ignore_all_hydrogens parameter to MCMolecule molecule generation functions.

  • Issue #75: Adds support for 3D structures on Pub Chem API.

Improvements

  • Issue #46: Modify automated tests to work only on pull requests.

  • Issue #41: Adds FileHandler, BaseParser, MolParser and SDFParser classes. Adds tests for the MolParser.

  • Issue #51: Adds MC Classes: MCElement, MCAtom, MCBond and MCMolecule

  • Issue #52: Modifies GraphMolecule to use the new MC Classes and adds tests to be ran when modifications on GraphMolecule class are done.

  • Issue #60: Modifies MMolecule to use the new MCClasses but keeps available old logic.

  • Issue #60: Modifies ThreeDMolecule to use the new MCClasses but keeps available old logic.

  • Issue #58: Adds contribute guide and PR template.

  • Issue #59: Modifies MMolecule to use parsers.

  • Issue #70: Implements AbstractMolecule across all molecule types.

  • Issue #66: Adds tests for the new changes.

  • Issue #74: Adds error message when trying to run ThreeDMolecules without OpenGL renderer

Breaking changes

  • Issue #48 Fix: Fix test suite. Removes support for python 3.8 and python 3.9 because configuring the tests on GitHub is trickier.

Documentation

  • Issue #59: Modifies the documentation to use the new functions (molecule_from_file) instead of the old ones (from_mol, from_sdf and build_from_mol)

  • Issue #67: Adds decent documentation.

0.4.4

0.4.3

Bugfix

  • Issue #36 Bugfix: Fix error when creating triple bonds. It was cause by a call to a deprecated function. Big thanks to @thinktraveler for opening a request!

0.4.2

New Features

0.4.1

Bugfix

  • Fixed GraphMolecule animations 36fbd7

0.4.0

Fixes

Improvements

  • Modified double and triple bond style in GraphMolecules 5f3aada

  • Added ruff as linter b9bee23

  • Added sheen direction to double bonds a88edab

  • Updated docs with new features 7ecb5d

New Features

  • Added indexes to GraphMolecule labels b8fc04b

  • Added partial selection of atoms in GraphMolecule 80da008

  • Added GAAnimationBuilder 07097df

0.3.2

Fixes

0.3.1

Bugfixes

  • Fixed animation issue with SimpleLine and its subclasses.

0.3.0

New Features

  • Added GenericElement class that will be the base for future developments. 1668d67

  • Added GraphMolecule. This class is based on Manim’s Graph class and gives simple yet beautiful molecules based. 1668d67

0.2.0

New Features

  • Added basic support for chemical formulas. fcc7110

0.1.1

New Features

  • Created class NamedMolecule. 3948d73

Bugfixes

  • Fixed implicit hydrogen missing bonds. a66062c

Code improvements

  • Improved rotate bond function. fa0ca46

Auxiliary Files improvements

  • Added English version of Elements.csv file. da7438b

Documentation improvement

  • Fixed typo in add_bonds_numbering example.

  • Added NamedMolecule example.

0.1.0

  • Creation of the project