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RDKit
Open-source cheminformatics and machine learning.
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#include <Pipeline.h>
Public Member Functions | |
| Pipeline ()=default | |
| Pipeline (const PipelineOptions &o) | |
| ~Pipeline ()=default | |
| PipelineResult | run (const std::string &molblock) const |
| void | setValidationSteps (const Operations::PipelineVector &steps) |
| void | setStandardizationSteps (const Operations::PipelineVector &steps) |
| void | setMakeParent (Operations::ParentOperation op) |
| void | setParse (Operations::ParseOperation op) |
| void | setSerialize (Operations::SerializeOperation op) |
Definition at line 201 of file Pipeline.h.
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inlineexplicit |
Definition at line 213 of file Pipeline.h.
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default |
| PipelineResult RDKit::MolStandardize::Pipeline::run | ( | const std::string & | molblock | ) | const |
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Definition at line 224 of file Pipeline.h.
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Definition at line 225 of file Pipeline.h.
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Definition at line 226 of file Pipeline.h.
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Definition at line 221 of file Pipeline.h.
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Definition at line 218 of file Pipeline.h.