pyCOFBuilder
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2D square, kagome and Rhombic topology COFs generation
Motivation
My goal is to use their tool to generate COF structures with diverse topologies. However, I have encountered several issues:
- For square topologies, the tool only allows the connection of building blocks with four connection points each. In practice, it is possible to generate 2D COFs with square topology using building blocks with four connection points and those with two connection points (https://doi.org/10.1038/ncomms8786, https://doi.org/10.1038/s43586-022-00181-z).
- Only the L, T, S, and H categories of building blocks have structural images available, while others do not.
- The tool currently does not support generating the Kagome and Rhombic category in 2D topologies.
What should be done?
- Update the tool to allow the generation of square topology COF structures using a combination of building blocks with four and two connection points.
- Add structural images for all categories of building blocks.
- Implement support for generating COF structures with the Kagome and Rhombic category in 2D topologies.
Steps for the realization of the task:
- Square Topology Update:
Review the current implementation of the tool to understand the limitations regarding building block connections for square topologies. Update the code to support the connection of building blocks with four and two connection points for square topologies. Test the updated tool to ensure it correctly generates 2D COFs with square topology using the specified building blocks. Verify the output against known structures to ensure accuracy and correctness. 2. Add Structural Images:
Identify the missing structural images for building block categories. Create or obtain structural images for these categories. Integrate the images into the tool and ensure they are correctly displayed. 3. Implement Kagome and Rhombic Topology
Is there any deadline?
ASAP Thank you so much!!!