View source for Cdk (host object)

;Host object name
:cdk
;Class
:{{Class|biouml.plugins.chemoinformatics.JavaScriptCDK}}
;Plugin
:[[Biouml.plugins.chemoinformatics (plugin)|biouml.plugins.chemoinformatics (chemoinformatics plugin)]]
[[Category:Host objects]]
=== JavaScript host object ===
ScriptableObject '''cdk'''

Provides CDK-derived functionality

==== Functions: ====

* Structure '''addExplicitHydrogens'''(Structure molecule)
* Structure '''addImplicitHydrogens'''(Structure molecule)
* boolean '''areIsomorphic'''(Structure molecule1, Structure molecule2)
* double '''calculateMass'''(Structure molecule)
* String '''calculateRMSD'''(Structure<nowiki>[]</nowiki> molecules)
* String '''calculateSMILES'''(Structure molecule)
* String '''calculateTanimoto'''(Structure<nowiki>[]</nowiki> calculateFor)
* String '''determineFormat'''(String path)
* {{Class|org.openscience.cdk.io.formats.IChemFormat}} '''determineIChemFormat'''(String path)
* {{Class|org.openscience.cdk.io.formats.IChemFormat}} '''determineIChemFormatOfString'''(String content)
* boolean '''fingerPrintMatches'''(Structure molecule, Structure subStructure)
* Structure '''fromCml'''(String cml)
* Structure '''fromSMILES'''(String SMILES)
* Structure '''fromString'''(String molstring)
* Structure<nowiki>[]</nowiki> '''generate2dCoordinates'''(Structure<nowiki>[]</nowiki> molecules)
* {{Class|org.openscience.cdk.io.formats.IChemFormat}} '''getFormat'''(String type)
* String '''getFormats'''()
* MoleculesInfo '''getInfo'''(String path)
* String '''getMDLMolfileString'''(Structure molecule)
* int '''getNoMolecules'''(String path)
* Object '''getProperty'''(Structure molecule, String property)
* Structure<nowiki>[]</nowiki> '''getSmartsMatches'''(Structure molecule, String smarts)
* Structure<nowiki>[]</nowiki> '''getSubstructures'''(Structure molecule, Structure substructure)
* IChemFormat '''guessFormatFromExtension'''(String type)
* boolean '''has2d'''(Structure mol)
* boolean '''has3d'''(Structure mol)
* boolean '''isConnected'''(Structure molecule)
* boolean '''isValidSmarts'''(String SMARTS)
* Structure<nowiki>[]</nowiki> '''kabsch'''(molecules Structure<nowiki>[]</nowiki>, Structure molecule)
* Structure<nowiki>[]</nowiki> '''loadConformers'''(String path)
* Structure '''loadMolecule'''(String path)
* Structure<nowiki>[]</nowiki> '''loadMolecules'''(String path)
* Structure<nowiki>[]</nowiki> '''loadSMILESFile'''(String path)
* Structure '''mcss'''(molecules Structure<nowiki>[]</nowiki>)
* String '''molecularFormula'''(Structure molecule)
* Structure<nowiki>[]</nowiki> '''partition'''(Structure molecule)
* boolean '''perceiveAromaticity'''(Structure mol)
* Structure '''removeExplicitHydrogens'''(Structure molecule)
* Structure '''removeImplicitHydrogens'''(Structure molecule)
* boolean '''smartsMatches'''(Structure molecule, Strung smarts)
* boolean '''subStructureMatches'''(Structure molecule, Structure subStructure)
* int '''totalFormalCharge'''(Structure molecule)

[[Category:Autogenerated pages]]