feat: Add on sphere #2011
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feat: Add on sphere #2011
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rprospero
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Nov 19, 2024
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| // Create orthogonal matrix around supplied single column vector | ||
| void Matrix3::createFromVector(const Vec3<double> &v, int columnIndex) | ||
| { | ||
| setColumn(columnIndex, v); | ||
| const auto v2 = v.orthogonal(); | ||
| switch (columnIndex) | ||
| { | ||
| case 0: | ||
| setColumn(1, v2); | ||
| setColumn(2, v * v2); | ||
| break; | ||
| case 1: | ||
| setColumn(0, v2); | ||
| setColumn(2, v * v2); | ||
| break; | ||
| case 2: | ||
| setColumn(0, v2); | ||
| setColumn(1, v * v2); | ||
| break; | ||
| default: | ||
| throw(std::runtime_error("Invalid column index.\n")); | ||
| } | ||
| } | ||
|
|
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I'll admit that I had to read this three times to get how it worked, but, once, I did, I couldn't think of a clearer way to write it. This is perfectly succinct.
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I also thought about this for quite a while before settling on the "long-winded" way here. A std::set of {0,1,2} with the supplied columnIndex subsequently removed allowed you to remove the switch completely, but felt a little clunky in practice.
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This PR implements a new Add-style node which places a number of molecules on the surface of a sphere through a reference site on the Species, with the optional ability to orient one site axis along the surface tangent. Two positioning methods are implemented - fully random and one based on a Fibonacci lattice, with the latter giving eye-pleasing results like this:
And for a molecule with a large tail:
TODO