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Chemical Data Processing Library C++ API - Version 1.1.1
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29 #ifndef CDPL_CHEM_REACTIONCENTERSTATUS_HPP
30 #define CDPL_CHEM_REACTIONCENTERSTATUS_HPP
46 namespace ReactionCenterStatus
52 const unsigned int NONE = 0;
103 #endif // CDPL_CHEM_REACTIONCENTERSTATUS_HPP
const unsigned int NONE
Specifies that the atom or bond is not part of the reaction center.
Definition: ReactionCenterStatus.hpp:52
const unsigned int EXACT_CHANGE
Specifies that the change of the atom is exactly as specified.
Definition: ReactionCenterStatus.hpp:98
const unsigned int BOND_MADE
Specifies that the bond is made by the reaction.
Definition: ReactionCenterStatus.hpp:68
const unsigned int STEREO_RETENTION
Specifies that the configuration of the atom is retained in the reaction.
Definition: ReactionCenterStatus.hpp:93
const unsigned int STEREO_INVERSION
Specifies that the configuration of the atom is inverted by the reaction.
Definition: ReactionCenterStatus.hpp:88
const unsigned int IS_CENTER
Specifies that the bond is part of the reaction center.
Definition: ReactionCenterStatus.hpp:63
const unsigned int NO_CHANGE
Specifies that the bond is left unaltered by the reaction.
Definition: ReactionCenterStatus.hpp:83
The namespace of the Chemical Data Processing Library.
const unsigned int BOND_ORDER_CHANGE
Specifies that the bond order is changed by the reaction.
Definition: ReactionCenterStatus.hpp:78
const unsigned int NO_CENTER
Specifies for bonds in a reaction substructure search query that matching target bonds must not be pa...
Definition: ReactionCenterStatus.hpp:58
const unsigned int BOND_BROKEN
Specifies that the bond is broken by the reaction.
Definition: ReactionCenterStatus.hpp:73