CIPConfigurationLabeler.
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#include <CIPConfigurationLabeler.hpp>
CIPConfigurationLabeler.
Code is largely based on a Java implementation of the CIP sequence rules by John Mayfield [CIPJM].
- Since
- 1.1
◆ SharedPointer
◆ CIPConfigurationLabeler() [1/3]
CDPL::Chem::CIPConfigurationLabeler::CIPConfigurationLabeler |
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| ) |
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◆ CIPConfigurationLabeler() [2/3]
CDPL::Chem::CIPConfigurationLabeler::CIPConfigurationLabeler |
( |
const MolecularGraph & |
molgraph | ) |
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◆ CIPConfigurationLabeler() [3/3]
◆ ~CIPConfigurationLabeler()
CDPL::Chem::CIPConfigurationLabeler::~CIPConfigurationLabeler |
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| ) |
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◆ setup()
void CDPL::Chem::CIPConfigurationLabeler::setup |
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const MolecularGraph & |
molgraph | ) |
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◆ getLabel() [1/2]
unsigned int CDPL::Chem::CIPConfigurationLabeler::getLabel |
( |
const Atom & |
atom | ) |
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◆ getLabel() [2/2]
unsigned int CDPL::Chem::CIPConfigurationLabeler::getLabel |
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const Bond & |
bond | ) |
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◆ operator=()
The documentation for this class was generated from the following file: