Chemical Data Processing Library Python API - Version 1.2.0
Static Public Attributes | List of all members
CDPL.Chem.AtomMatchConstraint Class Reference

Provides numerical identifiers for built-in Chem.Atom matching constraints. More...

+ Inheritance diagram for CDPL.Chem.AtomMatchConstraint:

Static Public Attributes

int CONSTRAINT_LIST = 0
 Specifies a constraint which requires the target atom to fulfill additional constraints specified by a Chem.MatchConstraintList object.
 
int AROMATICITY = 14
 Specifies a constraint on the aromaticity of the target atom.
 
int BOND_COUNT = 9
 Specifies a constraint on the total bond count of the target atom.
 
int CHARGE = 4
 Specifies a constraint on the fromal charge of the target atom.
 
int ENVIRONMENT = 2
 Specifies a constraint on the structural environment of the target atom.
 
int EXPLICIT_BOND_COUNT = 10
 Specifies a constraint on the explicit bond count of the target atom.
 
int EXPLICIT_H_COUNT = 8
 Specifies a constraint on the explicit hydrogen count of the target atom.
 
int EXPLICIT_VALENCE = 13
 Specifies a constraint on the explicit valence of the target atom.
 
int HEAVY_BOND_COUNT = 11
 Specifies a constraint on the heavy bond count of the target atom.
 
int H_COUNT = 6
 Specifies a constraint on the total hydrogen count of the target atom.
 
int IMPLICIT_H_COUNT = 7
 Specifies a constraint on the implicit hydrogen count of the target atom.
 
int ISOTOPE = 3
 Specifies a constraint on the isotopic mass of the target atom.
 
int CONFIGURATION = 16
 Specifies a constraint on the steric configuration of the target atom.
 
int RING_BOND_COUNT = 5
 Specifies a constraint on the ring bond count of the target atom.
 
int RING_TOPOLOGY = 15
 Specifies a constraint on the ring-membership of the target atom.
 
int SSSR_RING_SIZE = 19
 Specifies a constraint on the size of the rings (from the SSSR) the target atom is a member of.
 
int SSSR_RING_COUNT = 18
 Specifies a constraint on the number of rings (from the SSSR) the target atom is a member of.
 
int TYPE = 1
 Specifies a constraint on the type of the target atom.
 
int HYBRIDIZATION_STATE = 20
 Specifies a constraint on the hybridization state of the target atom.
 
int UNSATURATION = 17
 Specifies a constraint on the (non-)membership of the target atom in a double or triple bond.
 
int VALENCE = 12
 Specifies a constraint on the valence of the target atom.
 

Detailed Description

Provides numerical identifiers for built-in Chem.Atom matching constraints.