Class JniInchiOutput

java.lang.Object
net.sf.jniinchi.JniInchiOutput

public class JniInchiOutput extends Object
Encapsulates output from InChI generation.
  • Field Details

    • retStatus

      private INCHI_RET retStatus
      InChI return status
    • sInchi

      private String sInchi
      InChI ASCIIZ string
    • sAuxInfo

      private String sAuxInfo
      Aux info ASCIIZ string
    • sMessage

      private String sMessage
      Error/warning ASCIIZ message
    • sLog

      private String sLog
      log-file ASCIIZ string, contains a human-readable list of recognized options and possibly an Error/warning message
  • Constructor Details

  • Method Details

    • 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.
    • getInchi

      public String getInchi()
      Gets generated InChI string.
    • getAuxInfo

      public String getAuxInfo()
      Gets generated InChI string.
    • getMessage

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

      public String getLog()
      Gets generated log.
    • setLog

      protected void setLog(String log)
    • setMessage

      protected void setMessage(String message)
    • setRetStatus

      protected void setRetStatus(INCHI_RET retStatus)
    • setInchi

      protected void setInchi(String inchi)
    • setAuxInfo

      protected void setAuxInfo(String auxInfo)
    • toString

      public String toString()
      Overrides:
      toString in class Object