Class CompoundInfo.Builder
java.lang.Object
org.episteme.natural.chemistry.loaders.CompoundInfo.Builder
- Enclosing class:
CompoundInfo
Builder for CompoundInfo instances.
- Since:
- 1.0
- Author:
- Silvere Martin-Michiellot, Gemini AI (Google DeepMind)
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Constructor Summary
Constructors -
Method Summary
Modifier and TypeMethodDescriptionbuild()canonicalSmiles(String smiles) cid(long cid) molecularFormula(String formula) molecularWeight(double weight)
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Constructor Details
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Builder
public Builder()
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Method Details
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cid
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name
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molecularFormula
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molecularWeight
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iupacName
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inchiKey
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canonicalSmiles
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build
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