CDPL.MolProp.AtomProperty Class Reference

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

Inheritance diagram for CDPL.MolProp.AtomProperty:

Static Public Attributes
	HYDROPHOBICITY = CDPL.Base.LookupKey('HYDROPHOBICITY')
	Specifies the hydrophobicity of the atom. More...
	PEOE_SIGMA_CHARGE = CDPL.Base.LookupKey('PEOE_SIGMA_CHARGE')
	Specifies the calculated PEOE σ-charge of the atom. More...
	PEOE_SIGMA_ELECTRONEGATIVITY = CDPL.Base.LookupKey('PEOE_SIGMA_ELECTRONEGATIVITY')
	Specifies the calculated PEOE σ-electronegativity of the atom. More...
	MHMO_PI_CHARGE = CDPL.Base.LookupKey('MHMO_PI_CHARGE')
	Specifies the calculated MHMO π-charge of the atom. More...
	H_BOND_DONOR_TYPE = CDPL.Base.LookupKey('H_BOND_DONOR_TYPE')
	Specifies the H-bond donor atom type (see namespace MolProp.HBondDonorAtomType). More...
	H_BOND_ACCEPTOR_TYPE = CDPL.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.

Member Data Documentation

HYDROPHOBICITY

CDPL.MolProp.AtomProperty.HYDROPHOBICITY = CDPL.Base.LookupKey('HYDROPHOBICITY')

static

Specifies the hydrophobicity of the atom.

Value Type: double

See also

MolProp.calcAtomHydrophobicities()

PEOE_SIGMA_CHARGE

CDPL.MolProp.AtomProperty.PEOE_SIGMA_CHARGE = CDPL.Base.LookupKey('PEOE_SIGMA_CHARGE')

static

Specifies the calculated PEOE σ-charge of the atom.

Value Type: double

See also

[PEOE]

PEOE_SIGMA_ELECTRONEGATIVITY

CDPL.MolProp.AtomProperty.PEOE_SIGMA_ELECTRONEGATIVITY = CDPL.Base.LookupKey('PEOE_SIGMA_ELECTRONEGATIVITY')

static

Specifies the calculated PEOE σ-electronegativity of the atom.

Value Type: double

See also

[PEOE]

MHMO_PI_CHARGE

CDPL.MolProp.AtomProperty.MHMO_PI_CHARGE = CDPL.Base.LookupKey('MHMO_PI_CHARGE')

static

Specifies the calculated MHMO π-charge of the atom.

Value Type: double

See also

[MHMO]

H_BOND_DONOR_TYPE

CDPL.MolProp.AtomProperty.H_BOND_DONOR_TYPE = CDPL.Base.LookupKey('H_BOND_DONOR_TYPE')

static

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

Value Type: unsigned int

H_BOND_ACCEPTOR_TYPE

CDPL.MolProp.AtomProperty.H_BOND_ACCEPTOR_TYPE = CDPL.Base.LookupKey('H_BOND_ACCEPTOR_TYPE')

static

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

Value Type: unsigned int