sc::MolecularFormula(3)

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version 2.3.1 · 4 versions
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💖 sc::MolecularFormula(3) 💖

Okay bestie, this is the sc::MolecularFormula(3) page from the MPQC manual, section 3 — and yes, it’s giving “C++ class that does exactly what it says on the tin.” 🎀

🌸 NAME 🌸

sc::MolecularFormula — the MolecularFormula class is used to calculate the molecular formula of a Molecule. No cap, that’s the whole name vibe. 💅

✨ SYNOPSIS ✨

#include <formula.h>

🫶 Public Member Functions 🫶

Constructors. The argument must be nonnull. 🚫

  • MolecularFormula (const Ref< Molecule > &m) — constructor. 💖
  • MolecularFormula (const Molecule *m) — constructor.
  • const char * formula () const — returns a null terminated string containing the molecular formula. ✨
  • int natomtypes () — returns the number of atomtypes. 🔢
  • int Z (int itype) — returns atomic number of given atomtypeindex. ⚛️
  • int nZ (int itype) — returns number of atoms of given atomtypeindex. 🧮

📝 Detailed Description 📝

The MolecularFormula class is used to calculate the molecular formula of a Molecule. That’s the main character energy right there. 👑

There is only one constructor which takes Ref<Molecule> as input. (The synopsis also lists the const Molecule *m constructor — both are up there, so don’t come for me. 💀)

👑 Author 👑

Generated automatically by Doxygen for MPQC from the source code. So nobody hand-wrote this little beauty — Doxygen did its thing, periodt. 🤖💖

💖 That’s a wrap, bestie! This page is from MPQC, version 2.3.1, dated Sun Oct 4 2020. Slay responsibly. 💅✨

📦 where this page comes from