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RDKit
Open-source cheminformatics and machine learning.
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#include <RGroupGa.h>
Public Member Functions | |
| RGroupDecompositionChromosome (RGroupGa &rGroupGa) | |
| double | getFitness () const |
| OperationName | getOperationName () const |
| void | setOperationName (OperationName operationName) |
| std::string | info () const |
| double | score () |
| double | recalculateScore () |
| bool | isOk () |
| void | decode () |
| void | copyGene (const StringChromosomeBase &other) override |
| FingerprintVarianceScoreData & | getFingerprintVarianceScoreData () |
| const vector< size_t > & | getPermutation () const |
| const RGroupGa & | getRGroupGA () const |
Definition at line 45 of file RGroupGa.h.
| RDKit::RGroupDecompositionChromosome::RGroupDecompositionChromosome | ( | RGroupGa & | rGroupGa | ) |
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override |
| void RDKit::RGroupDecompositionChromosome::decode | ( | ) |
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inline |
Definition at line 69 of file RGroupGa.h.
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inline |
Definition at line 49 of file RGroupGa.h.
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inline |
Definition at line 51 of file RGroupGa.h.
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inline |
Definition at line 73 of file RGroupGa.h.
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Definition at line 75 of file RGroupGa.h.
| std::string RDKit::RGroupDecompositionChromosome::info | ( | ) | const |
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Definition at line 63 of file RGroupGa.h.
| double RDKit::RGroupDecompositionChromosome::recalculateScore | ( | ) |
| double RDKit::RGroupDecompositionChromosome::score | ( | ) |
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inline |
Definition at line 53 of file RGroupGa.h.