Search Java Classes and Packages
#Org.openscience.cdk.tools Classes and Interfaces - 75 results found.
| Name | Description | Type | Package | Framework |
| AbstractDifference | Class | org.openscience.cdk.tools.diff.tree | CDK | |
| AbstractDifferenceList | Diff between two IChemObjects. | Class | org.openscience.cdk.tools.diff.tree | CDK |
| AminoAcidManipulator | Class with convenience methods that provide methods to manipulateAuthor:Egon WillighagenCreated on:2005-08-19 | Class | org.openscience.cdk.tools.manipulator | CDK |
| AtomContainerComparator | Compares two IAtomContainers for order with the following criteria with decreasing priority: Compare molecular weight (heavy atoms only) | Class | org.openscience.cdk.tools.manipulator | CDK |
| AtomContainerComparatorBy2DCenter | Compares two IAtomContainers based on their 2D position. | Class | org.openscience.cdk.tools.manipulator | CDK |
| AtomContainerDiff | Compares two IAtomContainer classes. | Class | org.openscience.cdk.tools.diff | CDK |
| AtomContainerManipulator | Class with convenience methods that provide methods to manipulate AtomContainer's. | Class | org.openscience.cdk.tools.manipulator | CDK |
| AtomContainerSetManipulator | Class | org.openscience.cdk.tools.manipulator | CDK | |
| AtomDiff | Compares two IAtom classes. | Class | org.openscience.cdk.tools.diff | CDK |
| AtomicProperties | Provides atomic property values for descriptor calculations. | Class | org.openscience.cdk.tools | CDK |
| AtomTypeDiff | Compares two IAtomType classes. | Class | org.openscience.cdk.tools.diff | CDK |
| AtomTypeHybridizationDifference | IDifference between two IAtomType. | Class | org.openscience.cdk.tools.diff.tree | CDK |
| AtomTypeManipulator | Class with utilities for the AtomType class. | Class | org.openscience.cdk.tools.manipulator | CDK |
| AtomTypeTools | AtomTypeTools is a helper class for assigning atom types to an atom. | Class | org.openscience.cdk.tools | CDK |
| BondDiff | Compares two IBond classes. | Class | org.openscience.cdk.tools.diff | CDK |
| BondManipulator | Class with convenience methods that provide methods to manipulate AtomContainer's. | Class | org.openscience.cdk.tools.manipulator | CDK |
| BondOrderDifference | IDifference between two IBond. | Class | org.openscience.cdk.tools.diff.tree | CDK |
| BooleanArrayDifference | Difference between two boolean[]'s. | Class | org.openscience.cdk.tools.diff.tree | CDK |
| BooleanDifference | IDifference between two Booleans. | Class | org.openscience.cdk.tools.diff.tree | CDK |
| BremserOneSphereHOSECodePredictor | Class | org.openscience.cdk.tools | CDK | |
| CDKHydrogenAdder | Adds implicit hydrogens based on atom type definitions. | Class | org.openscience.cdk.tools | CDK |
| CDKUtilities | Utility class written by Todd Martin, for help in his QSAR descriptors and SMILES parser. | Class | org.openscience.cdk.tools | CDK |
| CDKValencyChecker | Class | org.openscience.cdk.tools | CDK | |
| ChemFileManipulator | Class with convenience methods that provide methods from methods from ChemObjects within the ChemFile. | Class | org.openscience.cdk.tools.manipulator | CDK |
| ChemModelManipulator | Class with convenience methods that provide methods from methods from ChemObjects within the ChemModel. | Class | org.openscience.cdk.tools.manipulator | CDK |
| ChemObjectDiff | Compares two IChemObject classes. | Class | org.openscience.cdk.tools.diff | CDK |
| ChemObjectDifference | IDifference between two IChemObjects. | Class | org.openscience.cdk.tools.diff.tree | CDK |
| ChemSequenceManipulator | Class with convenience methods that provide methods from methods from ChemObjects within the ChemSequence. | Class | org.openscience.cdk.tools.manipulator | CDK |
| DataFeatures | Class with constants for possible data features defined in the a Data Feature Ontology. | Class | org.openscience.cdk.tools | CDK |
| DataFeaturesTool | Utility that helps determine which data features are present. | Class | org.openscience.cdk.tools | CDK |
| DeAromatizationTool | Methods that takes a ring of which all bonds are aromatic, and assigns single and double bonds. | Class | org.openscience.cdk.tools | CDK |
| DoubleDifference | IDifference between two Double. | Class | org.openscience.cdk.tools.diff.tree | CDK |
| ElectronContainerDiff | Compares two IChemObject classes. | Class | org.openscience.cdk.tools.diff | CDK |
| ElementComparator | Compares elements based on the order commonly used in molecular formula. | Class | org.openscience.cdk.tools | CDK |
| ElementDiff | Compares two IElement classes. | Class | org.openscience.cdk.tools.diff | CDK |
| FixedSizeStack | A LIFO queue for result structures. | Class | org.openscience.cdk.tools | CDK |
| FormatStringBuffer | A class for formatting output similar to the C printf command. | Class | org.openscience.cdk.tools | CDK |
| GridGenerator | Generates a grid of points in 3D space within given boundaries. | Class | org.openscience.cdk.tools | CDK |
| HOSECodeAnalyser | Analyses a molecular formula given in String format and builds an AtomContainer with the Atoms in the molecular formula. | Class | org.openscience.cdk.tools | CDK |
| HOSECodeGenerator | Generates HOSE codes . | Class | org.openscience.cdk.tools | CDK |
| IDCreator | Class that provides methods to give unique IDs to ChemObjects. | Class | org.openscience.cdk.tools | CDK |
| IDeduceBondOrderTool | A common interface for tools that deduce bond orders from connectivity and optionally additional information, like number of implicit or | Interface | org.openscience.cdk.tools | CDK |
| IDifference | Interface | org.openscience.cdk.tools.diff.tree | CDK | |
| IDifferenceList | IDifference between two Objects which contains one or more child IDifference objects. | Interface | org.openscience.cdk.tools.diff.tree | CDK |
| ILoggingTool | Useful for logging messages. | Interface | org.openscience.cdk.tools | CDK |
| IntegerDifference | IDifference between two Integer. | Class | org.openscience.cdk.tools.diff.tree | CDK |
| IonizationPotentialTool | This class contains the necessary information to predict ionization potential energy. | Class | org.openscience.cdk.tools | CDK |
| IsotopeDiff | Compares two IIsotope classes. | Class | org.openscience.cdk.tools.diff | CDK |
| IValencyChecker | A common interface for SaturationChecker and ValencyChecker. | Interface | org.openscience.cdk.tools | CDK |
| LoggingTool | Useful for logging messages. | Class | org.openscience.cdk.tools | CDK |
| LoggingToolFactory | Factory used to instantiate a ILoggingTool. | Class | org.openscience.cdk.tools | CDK |
| LonePairDiff | Compares two ILonePair classes. | Class | org.openscience.cdk.tools.diff | CDK |
| LonePairElectronChecker | Provides methods for checking whether an atoms lone pair electrons are saturated with respect to a particular atom type. | Class | org.openscience.cdk.tools | CDK |
| MolecularFormulaManipulator | Class with convenience methods that provide methods to manipulate IMolecularFormula's. | Class | org.openscience.cdk.tools.manipulator | CDK |
| MolecularFormulaRangeManipulator | Class with convenience methods that provide methods to manipulate MolecularFormulaRange's. | Class | org.openscience.cdk.tools.manipulator | CDK |
| MolecularFormulaSetManipulator | Class with convenience methods that provide methods to manipulate MolecularFormulaSet's. | Class | org.openscience.cdk.tools.manipulator | CDK |
| MoleculeFeaturesTool | Utility that helps determine which data features are present. | Class | org.openscience.cdk.tools.features | CDK |
| MoleculeSetManipulator | Class | org.openscience.cdk.tools.manipulator | CDK | |
| PeriodicTable | Represents elements of the Periodic Table. | Class | org.openscience.cdk.tools.periodictable | CDK |
| Point2dDifference | Difference between two boolean[]'s. | Class | org.openscience.cdk.tools.diff.tree | CDK |
| Point3dDifference | Difference between two boolean[]'s. | Class | org.openscience.cdk.tools.diff.tree | CDK |
| ProteinBuilderTool | Class that facilitates building protein structures. | Class | org.openscience.cdk.tools | CDK |
| ReactionManipulator | Class | org.openscience.cdk.tools.manipulator | CDK | |
| ReactionSchemeManipulator | Class | org.openscience.cdk.tools.manipulator | CDK | |
| ReactionSetManipulator | Class | org.openscience.cdk.tools.manipulator | CDK | |
| RingManipulator | Class | org.openscience.cdk.tools.manipulator | CDK | |
| RingSetManipulator | Class | org.openscience.cdk.tools.manipulator | CDK | |
| RingSizeComparator | Class | org.openscience.cdk.tools.manipulator | CDK | |
| SaturationChecker | Provides methods for checking whether an atoms valences are saturated with respect to a particular atom type. | Class | org.openscience.cdk.tools | CDK |
| SingleElectronDiff | Compares two ISingleElectron classes. | Class | org.openscience.cdk.tools.diff | CDK |
| SmilesValencyChecker | Small customization of ValencyHybridChecker suggested by Todd Martin specially tuned for SMILES parsing. | Class | org.openscience.cdk.tools | CDK |
| StringDifference | IDifference between two String. | Class | org.openscience.cdk.tools.diff.tree | CDK |
| StructureResonanceGenerator | This class try to generate resonance structure for a determinate molecule. | Class | org.openscience.cdk.tools | CDK |
| SwissArmyKnife | A set of utilities which did not really fit into any other categoryAuthor:steinbeckCreated on:2001-06-19 | Class | org.openscience.cdk.tools | CDK |
| SystemOutLoggingTool | the System. | Class | org.openscience.cdk.tools | CDK |