bio::chemical::atom_detail Namespace Reference

Classes
struct	AsConstRequest
struct	AsConstRequest< const Pointee >
struct	AsDispatcher
struct	AsDispatcher< T, false >
struct	AsDispatcher< T, true >
struct	AsResultType
struct	AsResultType< T, false >
struct	AsResultType< T, true >
struct	BondIdDispatcher
struct	BondIdDispatcher< T, false >
struct	BondIdDispatcher< T, true >
struct	CowHandleType
struct	CowHandleType< Bare, true >
struct	FormBondDispatcher
struct	FormBondDispatcher< T, false, false >
struct	FormBondDispatcher< T, false, true >
struct	FormBondDispatcher< T, true, false >
struct	PointerFormBondDispatcher
struct	PointerFormBondDispatcher< T, false >
struct	PointerFormBondDispatcher< T, true >

Functions
bool	IsClassWiringBond (Pointer< const Bond > bond)
bool	ShouldSkipBond (Pointer< const Bond > bond)
Pointer< Symmetry >	CloneSymmetry (Pointer< const physical::Symmetry > symmetry)
bool	IsChemicalSymmetry (Pointer< const physical::Symmetry > symmetry)
bool	IsMetallicBondType (BondType type)
void	RegisterMetallicBondType (BondType type)
static ::std::vector< BondType > &	MetallicBondTypes ()

Function Documentation

CloneSymmetry()

Pointer< chemical::Symmetry > bio::chemical::atom_detail::CloneSymmetry

(

Pointer< const physical::Symmetry >

symmetry

)

Clone a Symmetry and (if chemical) recursively clone its children.
The clone preserves Name, Type, and Value, and copies child Symmetries when present.

Parameters

symmetry

the Symmetry to clone.

Returns

a newly allocated chemical::Symmetry or NULL on failure.

IsChemicalSymmetry()

bool bio::chemical::atom_detail::IsChemicalSymmetry

(

Pointer< const physical::Symmetry >

symmetry

)

Determine whether a Symmetry has the Properties of chemical::Symmetry.
Uses PeriodicTable properties and Wave resonance (no RTTI).

Parameters

symmetry

the Symmetry to test.

Returns

true if the Symmetry is chemical::Symmetry-compatible.

IsClassWiringBond()

bool bio::chemical::atom_detail::IsClassWiringBond

(

Pointer< const Bond >

bond

)

Check if a Bond is implementation wiring rather than data.
Includes Virtual, Covalent, and the owned AbstractMotif bridge bond used by motifs for no-RTTI cross-casting.

Parameters

bond	the Bond to evaluate.

Returns

true if the Bond is class wiring.

IsMetallicBondType()

bool bio::chemical::atom_detail::IsMetallicBondType

(

BondType

type

)

Determine whether a BondType represents a Metallic bond.
This is used to avoid duplicating shared metallic bond graphs when cloning.

Parameters

type	the BondType to test.

Returns

true if the BondType has been registered as Metallic.

MetallicBondTypes()

static ::std::vector< BondType > & bio::chemical::atom_detail::MetallicBondTypes

(

)

RegisterMetallicBondType()

void bio::chemical::atom_detail::RegisterMetallicBondType

(

BondType

type

)

Register a BondType as Metallic.
Callers should register Metallic bond types when they are created.

Parameters

type	the BondType to mark as Metallic.

ShouldSkipBond()

bool bio::chemical::atom_detail::ShouldSkipBond

(

Pointer< const Bond >

bond

)

Check if a Bond should be skipped for Symmetry processing.
Skips empty Bonds and class wiring Bonds.

Parameters

bond	the Bond to evaluate.

Returns

true if the Bond should be skipped.