Add More Live Examples for Molecule Visualization

[TharunKumarrA]

Description

Currently, the application supports a limited number of live examples: benzene, water, methane, and ethane. To enhance the usability and testing capabilities, more molecular examples need to be added. These should include molecules with varying hybridizations and complexities.

Acceptance Criteria

• Add new live examples for molecules of different types:
  • Molecules with double bonds (e.g., Ethene (C₂H₄)).
  • Molecules with triple bonds (e.g., Acetylene (C₂H₂)).
  • Molecules with sp3d and sp3d2 hybridizations (e.g., PCl₅, SF₆).
• Ensure correct visualization of these examples in the 3D plot.
• Include a dropdown or selector in the UI to easily switch between examples. [Already present]

Suggested Approach

1. Frontend Updates:

   • Add new options for the additional molecules in the dropdown menu for live examples.
   • Pass the selected molecule data to the molecule rendering logic.

2. Backend Updates:

   • Define the molecular structures for the new examples in the EditMolecule.jsx or the related logic.
   • Ensure correct bond angles and connectivity.

3. Testing:

   • Verify the 3D visualization for all examples, ensuring accuracy in geometry and bond representations.

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File Locations for Implementation

File: /src/components/EditMolecule.jsx

• Add New Molecules:
  • Extend the sampleMolecules array with additional molecules.
  • Define the molecular structures and ensure compatibility with existing logic.

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Code Changes

In EditMolecule.jsx

Add new molecules to the sampleMolecules array:

const sampleMolecules = ["CH4", "C2H6", "C6H6", "H2O", "C2H4", "C2H2", "PCl5", "SF6"];

Update the Molecule Construction Logic

const handleShowMolecule = () => {
  switch (selectedMolecule) {
    case "C2H4": // Ethene
      // Define ethene structure with double bonds
      break;
    case "C2H2": // Acetylene
      // Define acetylene structure with triple bonds
      break;
    case "PCl5": // Phosphorus Pentachloride
      // Define PCl5 structure with sp3d hybridization
      break;
    case "SF6": // Sulfur Hexafluoride
      // Define SF6 structure with sp3d2 hybridization
      break;
    default:
      // Handle existing molecules
  }
};

Suggested New Examples

• Ethene (C₂H₄): Molecule with double bonds.
• Acetylene (C₂H₂): Molecule with triple bonds.
• Phosphorus Pentachloride (PCl₅): Molecule with sp3d hybridization.
• Sulfur Hexafluoride (SF₆): Molecule with sp3d2 hybridization.

Dependencies

• This issue depends on the completion of Implement Algorithm for sp3d (Trigonal Bipyramidal) Bond Angles #2 and Implement Algorithm for Calculating Angles in sp3d2 Hybridization #3 before it can be worked on.

[adithya-menon-r]

Hey @TharunKumarrA, I would like to work on this issue when the dependent issues are solved.

[TharunKumarrA]

yes, @adithya-menon-r you can start working on this after the dependency issues are resolved, but as you can hold up only upto 2 issues at a time. I would suggest you to take up issues that you can work on now. Or if you are ok with it I can still assign you to this issue.

[adithya-menon-r]

Makes sense @TharunKumarrA. I'll work on other issues until the dependent ones are solved... Thanks!

[TharunKumarrA]

Yeah cool