sc::SphericalTransform(3)

okay so you're on the sc::SphericalTransform(3) page of the MPQC manual, and honestly? it's a whole base-class moment. 💅✨

🌸 NAME 🌸

sc::SphericalTransform is literally the base class for a container that holds a sparse Cartesian-to-solid-harmonic basis function transformation. it's giving "organized container for transform components," no cap. 🫶

🦋 SYNOPSIS 🦋

#include <transform.h>

Inherited by the iconique crew: sc::ISphericalTransform, sc::SphericalTransformCCA, sc::SphericalTransformCints, and sc::SphericalTransformV3. 💖

✨ Public Member Functions ✨

• void add (int a, int b, int c, double coef, int pureindex) — adds another SphericalTransformComponent to the mix. one more component, slay. 🎀
• int cartindex (int i) const — hands you the Cartesian basis function index of component i. 🔥
• int pureindex (int i) const — hands you the solid harmonic basis function index of component i. 💫
• double coef (int i) const — returns the transform coefficient of component i. the math tea ☕
• int a (int i) const — returns the Cartesian basis function's x exponent of component i. x is that girl. ✨
• int b (int i) const — returns the Cartesian basis function's y exponent of component i. y, periodt. 💅
• int c (int i) const — returns the Cartesian basis function's z exponent of component i. z said "i'm here too." 🦋
• int l () const — returns the angular momentum. iconic angular momentum behavior. 👑
• int n () const — returns the number of components in the transformation. count 'em, bestie. 🔢
• virtual SphericalTransformComponent * new_components ()=0 — this must create SphericalTransformComponent's of the appropriate specialization. that's the assignment, no skipping. 🫡

🧚 Protected Member Functions 🧚

• SphericalTransform (int l, int subl=-1) — constructs the SphericalTransform for the given Cartesian angular momentum l and solid harmonic angular momentum subl. protected, so this is inner-circle behavior. 🎀
• virtual void init () — determines all of the components of the transformation. the default setup girlie. ✨

🍓 Protected Attributes 🍓

• int n_
• int l_
• int subl_
• SphericalTransformComponent * components_

these are the protected data members, bestie. handle with care and good vibes. 🫶

💖 Detailed Description 💖

same base-class tea as NAME: this is a base class for a container for a sparse Cartesian to solid harmonic basis function transformation. it's the parent container, not the final glow-up. 💜

🌈 Constructor & Destructor Documentation 🌈

🌸 sc::SphericalTransform::SphericalTransform (int l, int subl = -1) 🌸

[protected] — this constructs the SphericalTransform for the given Cartesian angular momentum l and solid harmonic angular momentum subl. Usually, l and subl will be the same. They would differ when the S component of a D Cartesian shell or the P component of an F Cartesian shell is desired, for example — see the natural atomic orbital code for an example of such use. 🧚

⚠️ caveat, bestie: the init member must be called to complete initialization. don't leave it half-done. 😭

👑 Member Function Documentation 👑

💀 virtual void sc::SphericalTransform::init () — [protected], [virtual]

This determines all of the components of the transformation. It should be possible to implement the SphericalTransformComponent::init specialization in such a way that the default SphericalTransform::init can be used. Reimplemented in sc::ISphericalTransform. periodt. 🔥

🫶 Author 🫶

Generated automatically by Doxygen for MPQC from the source code. so like, the robots wrote the author line, not me. 🤖💖

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mwah 💋 — version 2.3.1, dated Sun Oct 4 2020, from the MPQC manual, bestie. that's the footer tea and we're done. 🎀✨