Chemical Data Processing Library C++ API - Version 1.1.1
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Provides flags that are used to describe state changes of atoms and bonds in a reaction center. More...
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const unsigned int | NONE = 0 |
Specifies that the atom or bond is not part of the reaction center. More... | |
const unsigned int | NO_CENTER = 0x1 |
Specifies for bonds in a reaction substructure search query that matching target bonds must not be part of a reaction center. More... | |
const unsigned int | IS_CENTER = 0x2 |
Specifies that the bond is part of the reaction center. More... | |
const unsigned int | BOND_MADE = 0x4 |
Specifies that the bond is made by the reaction. More... | |
const unsigned int | BOND_BROKEN = 0x8 |
Specifies that the bond is broken by the reaction. More... | |
const unsigned int | BOND_ORDER_CHANGE = 0x10 |
Specifies that the bond order is changed by the reaction. More... | |
const unsigned int | NO_CHANGE = 0x20 |
Specifies that the bond is left unaltered by the reaction. More... | |
const unsigned int | STEREO_INVERSION = 0x40 |
Specifies that the configuration of the atom is inverted by the reaction. More... | |
const unsigned int | STEREO_RETENTION = 0x80 |
Specifies that the configuration of the atom is retained in the reaction. More... | |
const unsigned int | EXACT_CHANGE = 0x80 |
Specifies that the change of the atom is exactly as specified. More... | |
Provides flags that are used to describe state changes of atoms and bonds in a reaction center.
const unsigned int CDPL::Chem::ReactionCenterStatus::NONE = 0 |
Specifies that the atom or bond is not part of the reaction center.
const unsigned int CDPL::Chem::ReactionCenterStatus::NO_CENTER = 0x1 |
Specifies for bonds in a reaction substructure search query that matching target bonds must not be part of a reaction center.
const unsigned int CDPL::Chem::ReactionCenterStatus::IS_CENTER = 0x2 |
Specifies that the bond is part of the reaction center.
const unsigned int CDPL::Chem::ReactionCenterStatus::BOND_MADE = 0x4 |
Specifies that the bond is made by the reaction.
const unsigned int CDPL::Chem::ReactionCenterStatus::BOND_BROKEN = 0x8 |
Specifies that the bond is broken by the reaction.
const unsigned int CDPL::Chem::ReactionCenterStatus::BOND_ORDER_CHANGE = 0x10 |
Specifies that the bond order is changed by the reaction.
const unsigned int CDPL::Chem::ReactionCenterStatus::NO_CHANGE = 0x20 |
Specifies that the bond is left unaltered by the reaction.
const unsigned int CDPL::Chem::ReactionCenterStatus::STEREO_INVERSION = 0x40 |
Specifies that the configuration of the atom is inverted by the reaction.
const unsigned int CDPL::Chem::ReactionCenterStatus::STEREO_RETENTION = 0x80 |
Specifies that the configuration of the atom is retained in the reaction.
const unsigned int CDPL::Chem::ReactionCenterStatus::EXACT_CHANGE = 0x80 |
Specifies that the change of the atom is exactly as specified.