Class JniInchiOutputStructure


  • public class JniInchiOutputStructure
    extends JniInchiStructure
    Encapsulates output from InChI to structure conversion.
    • Field Detail

      • retStatus

        private INCHI_RET retStatus
        Return status from conversion.
      • message

        private java.lang.String message
        Error/warning messages generated.
      • log

        private java.lang.String log
        Log generated.
      • warningFlags

        private long[][] warningFlags

        Warning flags, see INCHIDIFF in inchicmp.h.

        [x][y]:
        x=0 → Reconnected if present in InChI otherwise Disconnected/Normal
        x=1 → Disconnected layer if Reconnected layer is present
        y=1 → Main layer or Mobile-H
        y=0 → Fixed-H layer

    • Constructor Detail

      • JniInchiOutputStructure

        public JniInchiOutputStructure​(int ret,
                                       java.lang.String message,
                                       java.lang.String log,
                                       long w00,
                                       long w01,
                                       long w10,
                                       long w11)
      • JniInchiOutputStructure

        public JniInchiOutputStructure​(INCHI_RET value)
    • Method Detail

      • getReturnStatus

        public INCHI_RET getReturnStatus()
        Gets return status from InChI process. OKAY and WARNING indicate InChI has been generated, in all other cases InChI generation has failed.
      • getMessage

        public java.lang.String getMessage()
        Gets generated (error/warning) messages.
      • getLog

        public java.lang.String getLog()
        Gets generated log.
      • getWarningFlags

        public long[][] getWarningFlags()

        Returns warning flags, see INCHIDIFF in inchicmp.h.

        [x][y]:
        x=0 → Reconnected if present in InChI otherwise Disconnected/Normal
        x=1 → Disconnected layer if Reconnected layer is present
        y=1 → Main layer or Mobile-H
        y=0 → Fixed-H layer

      • setLog

        protected void setLog​(java.lang.String log)
      • setMessage

        protected void setMessage​(java.lang.String message)
      • setRetStatus

        protected void setRetStatus​(INCHI_RET retStatus)
      • setWarningFlags

        protected void setWarningFlags​(long[][] warningFlags)
      • setWarningFlags

        protected void setWarningFlags​(long f00,
                                       long f01,
                                       long f10,
                                       long f11)