CDPL::MolProp::AtomProperty Namespace Reference

Provides keys for built-in Chem::Atom properties. More...

Variables
CDPL_MOLPROP_API const Base::LookupKey	HYDROPHOBICITY
	Specifies the hydrophobicity of the atom. More...
CDPL_MOLPROP_API const Base::LookupKey	PEOE_SIGMA_CHARGE
	Specifies the calculated PEOE σ-charge of the atom. More...
CDPL_MOLPROP_API const Base::LookupKey	PEOE_SIGMA_ELECTRONEGATIVITY
	Specifies the calculated PEOE σ-electronegativity of the atom. More...
CDPL_MOLPROP_API const Base::LookupKey	MHMO_PI_CHARGE
	Specifies the calculated MHMO π-charge of the atom. More...
CDPL_MOLPROP_API const Base::LookupKey	H_BOND_DONOR_TYPE
	Specifies the H-bond donor atom type (see namespace MolProp::HBondDonorAtomType). More...
CDPL_MOLPROP_API const Base::LookupKey	H_BOND_ACCEPTOR_TYPE
	Specifies the H-bond acceptor atom type (see namespace MolProp::HBondAcceptorAtomType). More...

Detailed Description

Provides keys for built-in Chem::Atom properties.

Variable Documentation

HYDROPHOBICITY

CDPL_MOLPROP_API const Base::LookupKey CDPL::MolProp::AtomProperty::HYDROPHOBICITY

extern

Specifies the hydrophobicity of the atom.

Value Type: double

See also

MolProp::calcAtomHydrophobicities()

PEOE_SIGMA_CHARGE

CDPL_MOLPROP_API const Base::LookupKey CDPL::MolProp::AtomProperty::PEOE_SIGMA_CHARGE

extern

Specifies the calculated PEOE σ-charge of the atom.

Value Type: double

See also

[PEOE]

PEOE_SIGMA_ELECTRONEGATIVITY

CDPL_MOLPROP_API const Base::LookupKey CDPL::MolProp::AtomProperty::PEOE_SIGMA_ELECTRONEGATIVITY

extern

Specifies the calculated PEOE σ-electronegativity of the atom.

Value Type: double

See also

[PEOE]

MHMO_PI_CHARGE

CDPL_MOLPROP_API const Base::LookupKey CDPL::MolProp::AtomProperty::MHMO_PI_CHARGE

extern

Specifies the calculated MHMO π-charge of the atom.

Value Type: double

See also

[MHMO]

H_BOND_DONOR_TYPE

CDPL_MOLPROP_API const Base::LookupKey CDPL::MolProp::AtomProperty::H_BOND_DONOR_TYPE

extern

Specifies the H-bond donor atom type (see namespace MolProp::HBondDonorAtomType).

Value Type: unsigned int

H_BOND_ACCEPTOR_TYPE

CDPL_MOLPROP_API const Base::LookupKey CDPL::MolProp::AtomProperty::H_BOND_ACCEPTOR_TYPE

extern

Specifies the H-bond acceptor atom type (see namespace MolProp::HBondAcceptorAtomType).

Value Type: unsigned int