Defines basic types widely shared across the project. More...
#include "Molassembler/Export.h"
#include <cstddef>
#include <type_traits>
Go to the source code of this file.
Data Structures | |
struct | Scine::Molassembler::BondIndex |
Type used to refer to particular bonds. Orders first < second. More... | |
Namespaces | |
Scine::Molassembler | |
Central library namespace. | |
Typedefs | |
using | Scine::Molassembler::AtomIndex = std::size_t |
Unsigned integer atom index type. Used to refer to particular atoms. | |
Enumerations | |
enum | Scine::Molassembler::BondType : unsigned { Single, Double, Triple, Quadruple, Quintuple, Sextuple, Scine::Molassembler::BondType::Eta } |
Discrete bond type numeration. More... | |
enum | Scine::Molassembler::LengthUnit { Bohr, Angstrom } |
Length units. | |
enum | Scine::Molassembler::AtomEnvironmentComponents : unsigned { Connectivity = 0, ElementTypes = (1 << 0), BondOrders = (1 << 1), Shapes = (1 << 2), Stereopermutations = (1 << 3), All = ElementTypes | BondOrders | Shapes | Stereopermutations } |
For bitmasks grouping components of immediate atom environments. More... | |
Functions | |
std::size_t | Scine::Molassembler::hash_value (const BondIndex &bond) |
Hash for BondIndex so it can be used as a key type in unordered containers. More... | |
constexpr bool | operator& (const Scine::Molassembler::AtomEnvironmentComponents a, const Scine::Molassembler::AtomEnvironmentComponents b) |
Test whether two atom environment bitmasks share components. More... | |
constexpr Scine::Molassembler::AtomEnvironmentComponents | operator| (const Scine::Molassembler::AtomEnvironmentComponents a, const Scine::Molassembler::AtomEnvironmentComponents b) |
Compose an atom environment components bitmask from parts. | |
Variables | |
constexpr unsigned | Scine::Molassembler::nBondTypes = 7 |
Number of distinct bond types present in the library. | |
Defines basic types widely shared across the project.
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inline |
Test whether two atom environment bitmasks share components.