ambit2.tautomers

Class Tautomer2DescriptorUtils

java.lang.Object

ambit2.tautomers.Tautomer2DescriptorUtils

public class Tautomer2DescriptorUtils
extends Object

Field Summary

Fields

Modifier and Type	Field and Description
int	endLineNum
protected static Logger	logger
String	splitter
int	startLineNum

Constructor Summary

Constructors

Constructor and Description
Tautomer2DescriptorUtils()

Method Summary

Modifier and Type	Method and Description
void	analyseTautomerDescriptors(String descrFile, String outFileName, int descrStartColumn, int strNumColumn)
void	generateFulltautomerInfo(String smilesFile, String outFileName)
int	tautomerFullInfo(int strNum, String targetSmiles)

Methods inherited from class java.lang.Object

clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait

Field Detail

logger

protected static final Logger logger

startLineNum

public int startLineNum

endLineNum

public int endLineNum

splitter

public String splitter

Constructor Detail

Tautomer2DescriptorUtils

public Tautomer2DescriptorUtils()

Method Detail

generateFulltautomerInfo

public void generateFulltautomerInfo(String smilesFile,
                                     String outFileName)
                              throws Exception

Throws:

Exception

tautomerFullInfo

public int tautomerFullInfo(int strNum,
                            String targetSmiles)

analyseTautomerDescriptors

public void analyseTautomerDescriptors(String descrFile,
                                       String outFileName,
                                       int descrStartColumn,
                                       int strNumColumn)
                                throws Exception

Throws:

Exception