kekule
Version:
Open source JavaScript toolkit for chemoinformatics
8 lines (7 loc) • 2.15 kB
JavaScript
/**
* @fileoverview
* Imported atom type data for structure generator from CDK.
* @author Partridge Jiang
*/
/** @ignore */
Kekule.structGenAtomTypesData = [{"elementSymbol":"H","atomicNumber":1,"atomTypes":[{"id":"H1","maxBondOrder":1,"bondOrderSum":1}]},null,{"elementSymbol":"Li","atomicNumber":3,"atomTypes":[{"id":"Li1","maxBondOrder":1,"bondOrderSum":1}]},null,{"elementSymbol":"B","atomicNumber":5,"atomTypes":[{"id":"B3","maxBondOrder":2,"bondOrderSum":3}]},{"elementSymbol":"C","atomicNumber":6,"atomTypes":[{"id":"C4","maxBondOrder":3,"bondOrderSum":4}]},{"elementSymbol":"N","atomicNumber":7,"atomTypes":[{"id":"N3","maxBondOrder":3,"bondOrderSum":3},{"id":"N5","maxBondOrder":2,"bondOrderSum":5}]},{"elementSymbol":"O","atomicNumber":8,"atomTypes":[{"id":"O2","maxBondOrder":2,"bondOrderSum":2}]},{"elementSymbol":"F","atomicNumber":9,"atomTypes":[{"id":"F1","maxBondOrder":1,"bondOrderSum":1}]},null,{"elementSymbol":"Na","atomicNumber":11,"atomTypes":[{"id":"Na1","maxBondOrder":1,"bondOrderSum":1}]},null,null,{"elementSymbol":"Si","atomicNumber":14,"atomTypes":[{"id":"Si4","maxBondOrder":3,"bondOrderSum":4}]},{"elementSymbol":"P","atomicNumber":15,"atomTypes":[{"id":"P3","maxBondOrder":3,"bondOrderSum":3},{"id":"P4","maxBondOrder":3,"bondOrderSum":5}]},{"elementSymbol":"S","atomicNumber":16,"atomTypes":[{"id":"S2","maxBondOrder":2,"bondOrderSum":2},{"id":"S3","maxBondOrder":2,"bondOrderSum":4},{"id":"S4","maxBondOrder":2,"bondOrderSum":6}]},{"elementSymbol":"Cl","atomicNumber":17,"atomTypes":[{"id":"Cl1","maxBondOrder":1,"bondOrderSum":1}]},null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,{"elementSymbol":"As","atomicNumber":33,"atomTypes":[{"id":"As3","maxBondOrder":1,"bondOrderSum":3}]},{"elementSymbol":"Se","atomicNumber":34,"atomTypes":[{"id":"Se2","maxBondOrder":2,"bondOrderSum":2}]},{"elementSymbol":"Br","atomicNumber":35,"atomTypes":[{"id":"Br1","maxBondOrder":1,"bondOrderSum":1}]},null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,{"elementSymbol":"I","atomicNumber":53,"atomTypes":[{"id":"I1","maxBondOrder":1,"bondOrderSum":1}]}];