Changelog¶
Unreleased¶
Bugfixes¶
Fixes¶
New Features¶
Issue #56: Adds
molecule_from_file
andmultiple_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
andmultiple_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
andmultiple_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
andmultiple_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
andignore_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¶
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¶
Issue #33 Improvement: Adds functions to get the atoms and bonds positions. Big thanks to @thinktraveler for opening a request!
0.4.1¶
Bugfix¶
Fixed GraphMolecule animations 36fbd7
0.4.0¶
Fixes¶
Fixed readme a05ce8
Improvements¶
New Features¶
0.3.2¶
Fixes¶
Fixed P Orbital example. Special thanks to @Roseleaves for opening the related issue #15. 7ffdc5.
0.3.1¶
Bugfixes¶
Fixed animation issue with SimpleLine and its subclasses.
0.3.0¶
New Features¶
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