Class MoleculeFeaturesTool
java.lang.Object
org.openscience.cdk.tools.features.MoleculeFeaturesTool
Utility that helps determine which data features are present.
- Author:
- egonw
- See Also:
- Source code:
- main
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Constructor Summary
Constructors -
Method Summary
Modifier and TypeMethodDescriptionstatic boolean
hasElementSymbols
(IAtomContainer molecule) static boolean
hasFormalCharges
(IAtomContainer molecule) static boolean
hasGraphRepresentation
(IAtomContainer molecule) Checks whether all bonds have exactly two atoms.static boolean
hasPartialCharges
(IAtomContainer molecule)
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Constructor Details
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MoleculeFeaturesTool
public MoleculeFeaturesTool()
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Method Details
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hasPartialCharges
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hasFormalCharges
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hasElementSymbols
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hasGraphRepresentation
Checks whether all bonds have exactly two atoms.
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