Class AtomType


  • public class AtomType
    extends Object
    • Field Detail

      • elemNo

        int elemNo
      • smartsCode

        String smartsCode
      • mmType

        int mmType
      • hType

        int hType
      • formalCharge

        float formalCharge
      • fcadj

        float fcadj
      • sbmb

        boolean sbmb
      • arom

        boolean arom
      • pilp

        boolean pilp
      • mltb

        int mltb
      • val

        int val
    • Constructor Detail

      • AtomType

        AtomType​(int elemNo,
                 int mmType,
                 int hType,
                 float formalCharge,
                 int val,
                 String descr,
                 String smartsCode)