xmol::algo::heuristic namespace
#include <xmol/algo/heuristic/guess_mass.h>

Handy heuristics.

Reference
- Functions

Functions

auto guess_mass(const char symbol) -> float constexpr: Guess mass by symbol.
auto guess_mass(const xmol::AtomName& name) -> float constexpr: Guess mass by atom name.
void guess_mass(proxy::AtomSpan& atomSpan): Guess mass by atom name.
void guess_mass(proxy::AtomSelection& atomSelection): Guess mass by atom name.

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xmol::algo::heuristic namespace #include <xmol/algo/heuristic/guess_mass.h>

Contents

Functions

xmol::algo::heuristic namespace
#include <xmol/algo/heuristic/guess_mass.h>