Chemical Data Processing Library C++ API - Version 1.1.1
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Provides constants that are used to specify the R/S configuration of atoms. More...
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const unsigned int | UNDEF = 0 |
Specifies that the configuration of the atom is completely undefined. More... | |
const unsigned int | NONE = 0x1 |
Specifies that the atom does not meet the requirements to be assigned a configuration. More... | |
const unsigned int | R = 0x2 |
Specifies that the atom has R configuration. More... | |
const unsigned int | S = 0x4 |
Specifies that the atom has S configuration. More... | |
const unsigned int | EITHER = 0x8 |
Specifies that the atom meets the requirements but has no defined configuration. More... | |
const unsigned int | SP = 16 |
Specifies that the geometry of the ligand arrangement is square planar. More... | |
const unsigned int | TB = SP + 4 |
Specifies that the geometry of the ligand arrangement is trigonal bipyramidal. More... | |
const unsigned int | OH = TB + 21 |
Specifies that the geometry of the ligand arrangement is octahedral. More... | |
Provides constants that are used to specify the R/S configuration of atoms.
const unsigned int CDPL::Chem::AtomConfiguration::UNDEF = 0 |
Specifies that the configuration of the atom is completely undefined.
const unsigned int CDPL::Chem::AtomConfiguration::NONE = 0x1 |
Specifies that the atom does not meet the requirements to be assigned a configuration.
const unsigned int CDPL::Chem::AtomConfiguration::R = 0x2 |
Specifies that the atom has R configuration.
const unsigned int CDPL::Chem::AtomConfiguration::S = 0x4 |
Specifies that the atom has S configuration.
const unsigned int CDPL::Chem::AtomConfiguration::EITHER = 0x8 |
Specifies that the atom meets the requirements but has no defined configuration.
const unsigned int CDPL::Chem::AtomConfiguration::SP = 16 |
Specifies that the geometry of the ligand arrangement is square planar.
const unsigned int CDPL::Chem::AtomConfiguration::TB = SP + 4 |
Specifies that the geometry of the ligand arrangement is trigonal bipyramidal.
const unsigned int CDPL::Chem::AtomConfiguration::OH = TB + 21 |
Specifies that the geometry of the ligand arrangement is octahedral.