sc::DiscreteConnollyShape(3)

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version 2.3.1 Β· 5 versions
, in ubuntu jammy

🌸 sc::DiscreteConnollyShape(3) β€” MPQC manual 🌸

okay bestie, you found the sc::DiscreteConnollyShape(3) page in the MPQC manual, and we're gonna get through it together. no cap, it's short but it's giving shape-core πŸ’….


πŸŽ€ NAME πŸŽ€

sc::DiscreteConnollyShape β€” the docs say DiscreteConnollyShape and ConnollyShape should produce the same result. that's literally the whole name-section vibe. ✨

✨ SYNOPSIS ✨

start with this include, bestie:

#include <molshape.h>

it inherits sc::UnionShape. periodt. 🫢

πŸ’… Public Member Functions πŸ’…

  • DiscreteConnollyShape (const Ref< KeyVal > &) β€” member function with exactly this signature: it takes a const Ref< KeyVal > &. that's it, no edits, no guessing.
  • void initialize (const Ref< Molecule > &, double probe_radius) β€” initialize member, and it takes a const Ref< Molecule > & plus a double probe_radius. yes, both args, bestie.

🫢 Additional Inherited Members 🫢

this section is here on the page, but it doesn't spell out any extra member list underneath it. the inherited stuff comes from sc::UnionShape, iykyk. πŸ¦‹

🌈 Detailed Description 🌈

DiscreteConnollyShape and ConnollyShape should produce the same result. that's the headline, and yes, it says should β€” not me being shady, that's the actual wording. πŸ™ˆ

the discrete version is a shape union of discrete subshapes and it's slower. so if you're picking, know that the discrete one is the slow one, fr fr. 😭

these classes describe the solvent accessible surface of a molecule. that's the whole point, and it's lowkey iconic. 🧚

🧚 Author 🧚

Generated automatically by Doxygen for MPQC from the source code. so nobody hand-wrote this one, it's a Doxygen moment. πŸ’€


and that's the page, bestie πŸ’– β€” this was sc::DiscreteConnollyShape(3) from MPQC, Version 2.3.1, dated Sun Oct 4 2020. slay, you made it to the footer. βœ¨πŸŽ€

πŸ“¦ where this page comes from