Search Java Classes and Packages
#Org.openscience.cdk.formula Classes and Interfaces - 21 results found.
| Name | Description | Type | Package | Framework |
| AdductFormula | Class defining an adduct object in a MolecularFormula. | Class | org.openscience.cdk.formula | CDK |
| ChargeRule | This class validate if the charge in the IMolecularFormula correspond with a specific value. | Class | org.openscience.cdk.formula.rules | CDK |
| ElementRule | This class validate if the occurrence of the IElements in the IMolecularFormula are into a limits. | Class | org.openscience.cdk.formula.rules | CDK |
| IRule | Interface which groups all method that validate a IMolecularFormula. | Interface | org.openscience.cdk.formula.rules | CDK |
| IsotopeContainer | This class defines a isotope container. | Class | org.openscience.cdk.formula | CDK |
| IsotopePattern | This class defines the properties of a deisotoped pattern distribution. | Class | org.openscience.cdk.formula | CDK |
| IsotopePatternGenerator | Generates all Combinatorial chemical isotopes given a structure. | Class | org.openscience.cdk.formula | CDK |
| IsotopePatternManipulator | Class to manipulate IsotopePattern objects. | Class | org.openscience.cdk.formula | CDK |
| IsotopePatternRule | This class validate if the Isotope Pattern from a given IMolecularFormula correspond with other to compare. | Class | org.openscience.cdk.formula.rules | CDK |
| IsotopePatternSimilarity | This class gives a score hit of similarity between two different isotope abundance pattern. | Class | org.openscience.cdk.formula | CDK |
| MassToFormulaTool | Tool to determine molecular formula consistent with a given accurate mass. | Class | org.openscience.cdk.formula | CDK |
| MMElementRule | This class validate if the occurrence of the IElements in the IMolecularFormula, for metabolites, are into a maximal limit according paper: . | Class | org.openscience.cdk.formula.rules | CDK |
| MMElementRule .Database | A enumeration of the possible databases according the rules | Class | org.openscience.cdk.formula.rules | CDK |
| MMElementRule .RangeMass | A enumeration of the possible mass range according the rules | Class | org.openscience.cdk.formula.rules | CDK |
| MolecularFormula | Class defining a molecular formula object. | Class | org.openscience.cdk.formula | CDK |
| MolecularFormulaChecker | Validate a molecular formula given in IMolecularformula object. | Class | org.openscience.cdk.formula | CDK |
| MolecularFormulaRange | Class defining a expanded molecular formula object. | Class | org.openscience.cdk.formula | CDK |
| MolecularFormulaSet | Class defining an set object of MolecularFormulas. | Class | org.openscience.cdk.formula | CDK |
| NitrogenRule | This class validate if the rule of nitrogen is kept. | Class | org.openscience.cdk.formula.rules | CDK |
| RDBERule | Ring Double Bond Equivalents (RDBE) or Double Bond Equivalents (DBE) are calculated from valence values of | Class | org.openscience.cdk.formula.rules | CDK |
| ToleranceRangeRule | This class validate if the mass from an IMolecularFormula is between the tolerance range give a experimental mass. | Class | org.openscience.cdk.formula.rules | CDK |