Package net.sf.jniinchi
Class JniInchiOutput
java.lang.Object
net.sf.jniinchi.JniInchiOutput
Encapsulates output from InChI generation.
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Field Summary
FieldsModifier and TypeFieldDescriptionprivate INCHI_RET
InChI return statusprivate String
Aux info ASCIIZ stringprivate String
InChI ASCIIZ stringprivate String
log-file ASCIIZ string, contains a human-readable list of recognized options and possibly an Error/warning messageprivate String
Error/warning ASCIIZ message -
Constructor Summary
Constructors -
Method Summary
Modifier and TypeMethodDescriptionGets generated InChI string.getInchi()
Gets generated InChI string.getLog()
Gets generated log.Gets generated (error/warning) messages.Gets return status from InChI process.protected void
setAuxInfo
(String auxInfo) protected void
protected void
protected void
setMessage
(String message) protected void
setRetStatus
(INCHI_RET retStatus) toString()
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Field Details
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retStatus
InChI return status -
sInchi
InChI ASCIIZ string -
sAuxInfo
Aux info ASCIIZ string -
sMessage
Error/warning ASCIIZ message -
sLog
log-file ASCIIZ string, contains a human-readable list of recognized options and possibly an Error/warning message
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Constructor Details
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JniInchiOutput
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JniInchiOutput
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Method Details
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getReturnStatus
Gets return status from InChI process. OKAY and WARNING indicate InChI has been generated, in all other cases InChI generation has failed. -
getInchi
Gets generated InChI string. -
getAuxInfo
Gets generated InChI string. -
getMessage
Gets generated (error/warning) messages. -
getLog
Gets generated log. -
setLog
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setMessage
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setRetStatus
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setInchi
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setAuxInfo
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toString
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