Uses of Interface
org.openscience.cdk.interfaces.IChemFile
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Uses of IChemFile in org.openscience.cdk
Classes in org.openscience.cdk that implement IChemFile Modifier and Type Class Description class
ChemFile
A Object containing a number of ChemSequences. -
Uses of IChemFile in org.openscience.cdk.debug
Classes in org.openscience.cdk.debug that implement IChemFile Modifier and Type Class Description class
DebugChemFile
Debugging data class. -
Uses of IChemFile in org.openscience.cdk.io.cml
Fields in org.openscience.cdk.io.cml declared as IChemFile Modifier and Type Field Description protected IChemFile
CMLCoreModule. currentChemFile
Methods in org.openscience.cdk.io.cml that return IChemFile Modifier and Type Method Description IChemFile
CMLCoreModule. returnChemFile()
IChemFile
ICMLModule. returnChemFile()
Constructors in org.openscience.cdk.io.cml with parameters of type IChemFile Constructor Description CDKConvention(IChemFile chemFile)
CMLCoreModule(IChemFile chemFile)
CMLHandler(IChemFile chemFile)
Constructor for the CMLHandler.CMLReactionModule(IChemFile chemFile)
JMOLANIMATIONConvention(IChemFile chemFile)
MDLMolConvention(IChemFile chemFile)
MDMoleculeConvention(IChemFile chemFile)
PDBConvention(IChemFile chemFile)
PMPConvention(IChemFile chemFile)
QSARConvention(IChemFile chemFile)
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Uses of IChemFile in org.openscience.cdk.libio.cml
Methods in org.openscience.cdk.libio.cml with parameters of type IChemFile Modifier and Type Method Description org.xmlcml.cml.element.CMLCml
Convertor. cdkChemFileToCMLList(IChemFile file)
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Uses of IChemFile in org.openscience.cdk.silent
Classes in org.openscience.cdk.silent that implement IChemFile Modifier and Type Class Description class
ChemFile
A Object containing a number of ChemSequences. -
Uses of IChemFile in org.openscience.cdk.tools.manipulator
Methods in org.openscience.cdk.tools.manipulator with parameters of type IChemFile Modifier and Type Method Description static List<IAtomContainer>
ChemFileManipulator. getAllAtomContainers(IChemFile file)
Returns all the AtomContainer's of a ChemFile.static List<IChemModel>
ChemFileManipulator. getAllChemModels(IChemFile file)
Get a list of all ChemModels inside an IChemFile.static List<IChemObject>
ChemFileManipulator. getAllChemObjects(IChemFile file)
Returns a List of all IChemObject inside a ChemFile.static List<String>
ChemFileManipulator. getAllIDs(IChemFile file)
static List<IReaction>
ChemFileManipulator. getAllReactions(IChemFile file)
Get a list of all IReaction inside an IChemFile.static int
ChemFileManipulator. getAtomCount(IChemFile file)
Get the total number of atoms inside an IChemFile.static int
ChemFileManipulator. getBondCount(IChemFile file)
Get the total number of bonds inside an IChemFile. -
Uses of IChemFile in org.openscience.cdk.validate
Methods in org.openscience.cdk.validate with parameters of type IChemFile Modifier and Type Method Description ValidationReport
AbstractValidator. validateChemFile(IChemFile subject)
ValidationReport
CDKValidator. validateChemFile(IChemFile subject)
ValidationReport
IValidator. validateChemFile(IChemFile subject)
ValidationReport
ValidatorEngine. validateChemFile(IChemFile subject)
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