Chemical Data Processing Library C++ API - Version 1.1.1
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Provides numerical identifiers for built-in Chem::Atom matching constraints. More...
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const unsigned int | CONSTRAINT_LIST = 0 |
Specifies a constraint which requires the target atom to fulfill additional contraints specified by a Chem::MatchConstraintList object. More... | |
const unsigned int | TYPE = 1 |
Specifies a constraint on the type of the target atom. More... | |
const unsigned int | ENVIRONMENT = 2 |
Specifies a constraint on the structural environment of the target atom. More... | |
const unsigned int | ISOTOPE = 3 |
Specifies a constraint on the isotopic mass of the target atom. More... | |
const unsigned int | CHARGE = 4 |
Specifies a constraint on the fromal charge of the target atom. More... | |
const unsigned int | RING_BOND_COUNT = 5 |
Specifies a constraint on the ring bond count of the target atom. More... | |
const unsigned int | H_COUNT = 6 |
Specifies a constraint on the total hydrogen count of the target atom. More... | |
const unsigned int | IMPLICIT_H_COUNT = 7 |
Specifies a constraint on the implicit hydrogen count of the target atom. More... | |
const unsigned int | EXPLICIT_H_COUNT = 8 |
Specifies a constraint on the explicit hydrogen count of the target atom. More... | |
const unsigned int | BOND_COUNT = 9 |
Specifies a constraint on the total bond count of the target atom. More... | |
const unsigned int | EXPLICIT_BOND_COUNT = 10 |
Specifies a constraint on the explicit bond count of the target atom. More... | |
const unsigned int | HEAVY_BOND_COUNT = 11 |
Specifies a constraint on the heavy bond count of the target atom. More... | |
const unsigned int | VALENCE = 12 |
Specifies a constraint on the valence of the target atom. More... | |
const unsigned int | EXPLICIT_VALENCE = 13 |
Specifies a constraint on the explicit valence of the target atom. More... | |
const unsigned int | AROMATICITY = 14 |
Specifies a constraint on the aromaticity of the target atom. More... | |
const unsigned int | RING_TOPOLOGY = 15 |
Specifies a constraint on the ring-membership of the target atom. More... | |
const unsigned int | CONFIGURATION = 16 |
Specifies a constraint on the steric configuration of the target atom. More... | |
const unsigned int | UNSATURATION = 17 |
Specifies a constraint on the (non-)membership of the target atom in a double or triple bond. More... | |
const unsigned int | SSSR_RING_COUNT = 18 |
Specifies a constraint on the number of rings (from the SSSR) the target atom is a member of. More... | |
const unsigned int | SSSR_RING_SIZE = 19 |
Specifies a constraint on the size of the rings (from the SSSR) the target atom is a member of. More... | |
const unsigned int | HYBRIDIZATION_STATE = 20 |
Specifies a constraint on the hybridization state of the target atom. More... | |
Provides numerical identifiers for built-in Chem::Atom matching constraints.
const unsigned int CDPL::Chem::AtomMatchConstraint::CONSTRAINT_LIST = 0 |
Specifies a constraint which requires the target atom to fulfill additional contraints specified by a Chem::MatchConstraintList object.
const unsigned int CDPL::Chem::AtomMatchConstraint::TYPE = 1 |
Specifies a constraint on the type of the target atom.
const unsigned int CDPL::Chem::AtomMatchConstraint::ENVIRONMENT = 2 |
Specifies a constraint on the structural environment of the target atom.
const unsigned int CDPL::Chem::AtomMatchConstraint::ISOTOPE = 3 |
Specifies a constraint on the isotopic mass of the target atom.
const unsigned int CDPL::Chem::AtomMatchConstraint::CHARGE = 4 |
Specifies a constraint on the fromal charge of the target atom.
const unsigned int CDPL::Chem::AtomMatchConstraint::RING_BOND_COUNT = 5 |
Specifies a constraint on the ring bond count of the target atom.
const unsigned int CDPL::Chem::AtomMatchConstraint::H_COUNT = 6 |
Specifies a constraint on the total hydrogen count of the target atom.
const unsigned int CDPL::Chem::AtomMatchConstraint::IMPLICIT_H_COUNT = 7 |
Specifies a constraint on the implicit hydrogen count of the target atom.
const unsigned int CDPL::Chem::AtomMatchConstraint::EXPLICIT_H_COUNT = 8 |
Specifies a constraint on the explicit hydrogen count of the target atom.
const unsigned int CDPL::Chem::AtomMatchConstraint::BOND_COUNT = 9 |
Specifies a constraint on the total bond count of the target atom.
const unsigned int CDPL::Chem::AtomMatchConstraint::EXPLICIT_BOND_COUNT = 10 |
Specifies a constraint on the explicit bond count of the target atom.
const unsigned int CDPL::Chem::AtomMatchConstraint::HEAVY_BOND_COUNT = 11 |
Specifies a constraint on the heavy bond count of the target atom.
const unsigned int CDPL::Chem::AtomMatchConstraint::VALENCE = 12 |
Specifies a constraint on the valence of the target atom.
const unsigned int CDPL::Chem::AtomMatchConstraint::EXPLICIT_VALENCE = 13 |
Specifies a constraint on the explicit valence of the target atom.
const unsigned int CDPL::Chem::AtomMatchConstraint::AROMATICITY = 14 |
Specifies a constraint on the aromaticity of the target atom.
const unsigned int CDPL::Chem::AtomMatchConstraint::RING_TOPOLOGY = 15 |
Specifies a constraint on the ring-membership of the target atom.
const unsigned int CDPL::Chem::AtomMatchConstraint::CONFIGURATION = 16 |
Specifies a constraint on the steric configuration of the target atom.
const unsigned int CDPL::Chem::AtomMatchConstraint::UNSATURATION = 17 |
Specifies a constraint on the (non-)membership of the target atom in a double or triple bond.
const unsigned int CDPL::Chem::AtomMatchConstraint::SSSR_RING_COUNT = 18 |
Specifies a constraint on the number of rings (from the SSSR) the target atom is a member of.
const unsigned int CDPL::Chem::AtomMatchConstraint::SSSR_RING_SIZE = 19 |
Specifies a constraint on the size of the rings (from the SSSR) the target atom is a member of.
const unsigned int CDPL::Chem::AtomMatchConstraint::HYBRIDIZATION_STATE = 20 |
Specifies a constraint on the hybridization state of the target atom.