Chemical Data Processing Library C++ API - Version 1.1.1
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Provides constants for the specification of directional bonds in Daylight SMILES and SMARTS strings. More...
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const unsigned int | NONE = 0x0 |
Specifies that the bond has no associated direction. More... | |
const unsigned int | UP = 0x1 |
Specifies that the bond is directed upwards. More... | |
const unsigned int | DOWN = 0x2 |
Specifies that the bond is directed downwards. More... | |
const unsigned int | UNSPECIFIED = 0x4 |
In a substructure search query pattern this flag indicates that the specified query bond direction is not mandatory and that target bonds with an unspecified direction shall also be considered as a match. More... | |
Provides constants for the specification of directional bonds in Daylight SMILES and SMARTS strings.
Directional bonds in Daylight SMILES or SMARTS strings are used to specify the configuration around a double bond by indicating the relative direction of the bonds to its substituent atoms. They have only a meaning when they occur on both sides of the double bond (see [SMILES, SMARTS]).
const unsigned int CDPL::Chem::BondDirection::NONE = 0x0 |
Specifies that the bond has no associated direction.
const unsigned int CDPL::Chem::BondDirection::UP = 0x1 |
Specifies that the bond is directed upwards.
In SMILES and SMARTS strings up bonds are specified by a slash '/'.
const unsigned int CDPL::Chem::BondDirection::DOWN = 0x2 |
Specifies that the bond is directed downwards.
In SMILES and SMARTS strings down bonds are specified by a backslash '\'.
const unsigned int CDPL::Chem::BondDirection::UNSPECIFIED = 0x4 |
In a substructure search query pattern this flag indicates that the specified query bond direction is not mandatory and that target bonds with an unspecified direction shall also be considered as a match.
The flag only has a meaning for directional bonds in SMARTS patterns where